From 313770a041bdcf4abe420b8bcd58ed119c98efef Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Mon, 4 May 2020 22:39:04 -0400 Subject: [PATCH 01/31] Started refactoring --- CMakeLists.txt | 53 +- LICENSE | 21 - cmake/FindCheck.cmake | 59 ++ cmake/FindGSL.cmake | 229 +++++++ cmake/FindJansson.cmake | 59 ++ minimize.c | 1384 --------------------------------------- src/minimize.c | 188 ++++++ src/parse_options.c | 342 ++++++++++ src/parse_options.h | 73 +++ src/potentials.c | 955 +++++++++++++++++++++++++++ src/potentials.h | 101 +++ src/utils.h | 28 + 12 files changed, 2075 insertions(+), 1417 deletions(-) delete mode 100644 LICENSE create mode 100644 cmake/FindCheck.cmake create mode 100644 cmake/FindGSL.cmake create mode 100644 cmake/FindJansson.cmake delete mode 100644 minimize.c create mode 100644 src/minimize.c create mode 100644 src/parse_options.c create mode 100644 src/parse_options.h create mode 100644 src/potentials.c create mode 100644 src/potentials.h create mode 100644 src/utils.h diff --git a/CMakeLists.txt b/CMakeLists.txt index 7c34bb1..5cebf96 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,18 +1,47 @@ -cmake_minimum_required(VERSION 3.5) -project(energymin LANGUAGES C) -set(energymin_version_major 0) -set(energymin_version_minor 0) -set(energymin_version "${energymin_version_major}.${energymin_version_minor}") +cmake_minimum_required(VERSION 3.1...3.15) + +if(${CMAKE_VERSION} VERSION_LESS 3.12) + cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}) +endif() + +project(EnergyMin VERSION 0.0 + DESCRIPTION "Energy minimization tool" + LANGUAGES C) + +set(CMAKE_CXX_STANDARD 11) +set(CMAKE_CXX_STANDARD_REQUIRED ON) +set(CMAKE_CXX_EXTENSIONS OFF) + +option(LTO "Link Time Optimization" ON) + set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") -set(CMAKE_C_FLAGS "-std=c11 -fPIC ${CMAKE_C_FLAGS}") -set(CMAKE_C_FLAGS_DEBUG "-Wall ${CMAKE_C_FLAGS_DEBUG}") -set(CMAKE_C_FLAGS_RELEASE "${CMAKE_C_FLAGS_RELEASE}") +#add_compile_options(-Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) + +include(CMakePrintHelpers) -include_directories($ENV{HOME}/include) -link_directories($ENV{HOME}/lib) +cmake_print_variables(CMAKE_MODULE_PATH CMAKE_MODULE_PATH) + +find_package(Jansson REQUIRED) find_package(GSL REQUIRED) -add_executable(minimize minimize.c) -target_link_libraries(minimize mol2 nmrgrad ${GSL_LIBRARIES} jansson m) +find_package(mol2 REQUIRED) + +add_executable(minimize src/minimize.c src/potentials.c src/potentials.h src/parse_options.c src/parse_options.h src/utils.h) + +if (LTO) + include(CheckIPOSupported) + check_ipo_supported(RESULT result) + if(result) + set_target_properties(minimize PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) + endif() +endif() + +target_include_directories(minimize + PUBLIC + "$" + "$" + PRIVATE "${MOL2_INCLUDE_DIRS} ${JANSSON_INCLUDE_DIRS} ${GSL_INCLUDE_DIRS} ${GSL_INCLUDE_DIR}") + +target_link_libraries(minimize ${MOL2_LIBRARIES} ${GSL_LIBRARIES} ${JANSSON_LIBRARIES} m) diff --git a/LICENSE b/LICENSE deleted file mode 100644 index e15eeaf..0000000 --- a/LICENSE +++ /dev/null @@ -1,21 +0,0 @@ -MIT License - -Copyright (c) 2019 Mikhail Ignatov - -Permission is hereby granted, free of charge, to any person obtaining a copy -of this software and associated documentation files (the "Software"), to deal -in the Software without restriction, including without limitation the rights -to use, copy, modify, merge, publish, distribute, sublicense, and/or sell -copies of the Software, and to permit persons to whom the Software is -furnished to do so, subject to the following conditions: - -The above copyright notice and this permission notice shall be included in all -copies or substantial portions of the Software. - -THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR -IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, -FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE -AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER -LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, -OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE -SOFTWARE. diff --git a/cmake/FindCheck.cmake b/cmake/FindCheck.cmake new file mode 100644 index 0000000..24aafe3 --- /dev/null +++ b/cmake/FindCheck.cmake @@ -0,0 +1,59 @@ +# - Try to find the CHECK libraries +# Once done this will define +# +# CHECK_FOUND - system has check +# CHECK_INCLUDE_DIR - the check include directory +# CHECK_LIBRARIES - check library +# +# This configuration file for finding libcheck is originally from +# the opensync project. The originally was downloaded from here: +# opensync.org/browser/branches/3rd-party-cmake-modules/modules/FindCheck.cmake +# +# Copyright (c) 2007 Daniel Gollub +# Copyright (c) 2007 Bjoern Ricks +# +# Redistribution and use is allowed according to the terms of the New +# BSD license. +# For details see the accompanying COPYING-CMAKE-SCRIPTS file. + + +INCLUDE( FindPkgConfig ) + +# Take care about check.pc settings +PKG_SEARCH_MODULE( CHECK check ) + +# Look for CHECK include dir and libraries +IF( NOT CHECK_FOUND ) + IF ( CHECK_INSTALL_DIR ) + MESSAGE ( STATUS "Using override CHECK_INSTALL_DIR to find check" ) + SET ( CHECK_INCLUDE_DIR "${CHECK_INSTALL_DIR}/include" ) + SET ( CHECK_INCLUDE_DIRS "${CHECK_INCLUDE_DIR}" ) + FIND_LIBRARY( CHECK_LIBRARY NAMES check PATHS "${CHECK_INSTALL_DIR}/lib" ) + FIND_LIBRARY( COMPAT_LIBRARY NAMES compat PATHS "${CHECK_INSTALL_DIR}/lib" ) + SET ( CHECK_LIBRARIES "${CHECK_LIBRARY}" "${COMPAT_LIBRARY}" ) + ELSE ( CHECK_INSTALL_DIR ) + FIND_PATH( CHECK_INCLUDE_DIR check.h ) + FIND_LIBRARY( CHECK_LIBRARY NAMES check ) + FIND_LIBRARY( COMPAT_LIBRARY NAMES compat ) + SET ( CHECK_LIBRARIES "${CHECK_LIBRARY}" "${COMPAT_LIBRARY}" ) + ENDIF ( CHECK_INSTALL_DIR ) + + IF ( CHECK_INCLUDE_DIR AND CHECK_LIBRARIES ) + SET( CHECK_FOUND 1 ) + IF ( NOT Check_FIND_QUIETLY ) + MESSAGE ( STATUS "Found CHECK: ${CHECK_LIBRARIES}" ) + ENDIF ( NOT Check_FIND_QUIETLY ) + ELSE ( CHECK_INCLUDE_DIR AND CHECK_LIBRARIES ) + IF ( Check_FIND_REQUIRED ) + MESSAGE( FATAL_ERROR "Could NOT find CHECK" ) + ELSE ( Check_FIND_REQUIRED ) + IF ( NOT Check_FIND_QUIETLY ) + MESSAGE( STATUS "Could NOT find CHECK" ) + ENDIF ( NOT Check_FIND_QUIETLY ) + ENDIF ( Check_FIND_REQUIRED ) + ENDIF ( CHECK_INCLUDE_DIR AND CHECK_LIBRARIES ) +ENDIF( NOT CHECK_FOUND ) + +# Hide advanced variables from CMake GUIs +MARK_AS_ADVANCED( CHECK_INCLUDE_DIR CHECK_LIBRARIES ) + diff --git a/cmake/FindGSL.cmake b/cmake/FindGSL.cmake new file mode 100644 index 0000000..25e2626 --- /dev/null +++ b/cmake/FindGSL.cmake @@ -0,0 +1,229 @@ +# Distributed under the OSI-approved BSD 3-Clause License. See accompanying +# file Copyright.txt or https://cmake.org/licensing for details. + +#[=======================================================================[.rst: +FindGSL +-------- + +Find the native GNU Scientific Library (GSL) includes and libraries. + +The GNU Scientific Library (GSL) is a numerical library for C and C++ +programmers. It is free software under the GNU General Public +License. + +Imported Targets +^^^^^^^^^^^^^^^^ + +If GSL is found, this module defines the following :prop_tgt:`IMPORTED` +targets:: + + GSL::gsl - The main GSL library. + GSL::gslcblas - The CBLAS support library used by GSL. + +Result Variables +^^^^^^^^^^^^^^^^ + +This module will set the following variables in your project:: + + GSL_FOUND - True if GSL found on the local system + GSL_INCLUDE_DIRS - Location of GSL header files. + GSL_LIBRARIES - The GSL libraries. + GSL_VERSION - The version of the discovered GSL install. + +Hints +^^^^^ + +Set ``GSL_ROOT_DIR`` to a directory that contains a GSL installation. + +This script expects to find libraries at ``$GSL_ROOT_DIR/lib`` and the GSL +headers at ``$GSL_ROOT_DIR/include/gsl``. The library directory may +optionally provide Release and Debug folders. If available, the libraries +named ``gsld``, ``gslblasd`` or ``cblasd`` are recognized as debug libraries. +For Unix-like systems, this script will use ``$GSL_ROOT_DIR/bin/gsl-config`` +(if found) to aid in the discovery of GSL. + +Cache Variables +^^^^^^^^^^^^^^^ + +This module may set the following variables depending on platform and type +of GSL installation discovered. These variables may optionally be set to +help this module find the correct files:: + + GSL_CBLAS_LIBRARY - Location of the GSL CBLAS library. + GSL_CBLAS_LIBRARY_DEBUG - Location of the debug GSL CBLAS library (if any). + GSL_CONFIG_EXECUTABLE - Location of the ``gsl-config`` script (if any). + GSL_LIBRARY - Location of the GSL library. + GSL_LIBRARY_DEBUG - Location of the debug GSL library (if any). + +#]=======================================================================] + +#include(${CMAKE_CURRENT_LIST_DIR}/FindPackageHandleStandardArgs.cmake) + +#============================================================================= +# If the user has provided ``GSL_ROOT_DIR``, use it! Choose items found +# at this location over system locations. +if( EXISTS "$ENV{GSL_ROOT_DIR}" ) + file( TO_CMAKE_PATH "$ENV{GSL_ROOT_DIR}" GSL_ROOT_DIR ) + set( GSL_ROOT_DIR "${GSL_ROOT_DIR}" CACHE PATH "Prefix for GSL installation." ) +endif() +if( NOT EXISTS "${GSL_ROOT_DIR}" ) + set( GSL_USE_PKGCONFIG ON ) +endif() + +#============================================================================= +# As a first try, use the PkgConfig module. This will work on many +# *NIX systems. See :module:`findpkgconfig` +# This will return ``GSL_INCLUDEDIR`` and ``GSL_LIBDIR`` used below. +if( GSL_USE_PKGCONFIG ) + find_package(PkgConfig) + pkg_check_modules( GSL QUIET gsl ) + + if( EXISTS "${GSL_INCLUDEDIR}" ) + get_filename_component( GSL_ROOT_DIR "${GSL_INCLUDEDIR}" DIRECTORY CACHE) + endif() +endif() + +#============================================================================= +# Set GSL_INCLUDE_DIRS and GSL_LIBRARIES. If we skipped the PkgConfig step, try +# to find the libraries at $GSL_ROOT_DIR (if provided) or in standard system +# locations. These find_library and find_path calls will prefer custom +# locations over standard locations (HINTS). If the requested file is not found +# at the HINTS location, standard system locations will be still be searched +# (/usr/lib64 (Redhat), lib/i386-linux-gnu (Debian)). + +find_path( GSL_INCLUDE_DIR + NAMES gsl/gsl_sf.h + HINTS ${GSL_ROOT_DIR}/include ${GSL_INCLUDEDIR} +) +find_library( GSL_LIBRARY + NAMES gsl + HINTS ${GSL_ROOT_DIR}/lib ${GSL_LIBDIR} + PATH_SUFFIXES Release Debug +) +find_library( GSL_CBLAS_LIBRARY + NAMES gslcblas cblas + HINTS ${GSL_ROOT_DIR}/lib ${GSL_LIBDIR} + PATH_SUFFIXES Release Debug +) +# Do we also have debug versions? +find_library( GSL_LIBRARY_DEBUG + NAMES gsld gsl + HINTS ${GSL_ROOT_DIR}/lib ${GSL_LIBDIR} + PATH_SUFFIXES Debug +) +find_library( GSL_CBLAS_LIBRARY_DEBUG + NAMES gslcblasd cblasd gslcblas cblas + HINTS ${GSL_ROOT_DIR}/lib ${GSL_LIBDIR} + PATH_SUFFIXES Debug +) +set( GSL_INCLUDE_DIRS ${GSL_INCLUDE_DIR} ) +set( GSL_LIBRARIES ${GSL_LIBRARY} ${GSL_CBLAS_LIBRARY} ) + +# If we didn't use PkgConfig, try to find the version via gsl-config or by +# reading gsl_version.h. +if( NOT GSL_VERSION ) + # 1. If gsl-config exists, query for the version. + find_program( GSL_CONFIG_EXECUTABLE + NAMES gsl-config + HINTS "${GSL_ROOT_DIR}/bin" + ) + if( EXISTS "${GSL_CONFIG_EXECUTABLE}" ) + execute_process( + COMMAND "${GSL_CONFIG_EXECUTABLE}" --version + OUTPUT_VARIABLE GSL_VERSION + OUTPUT_STRIP_TRAILING_WHITESPACE ) + endif() + + # 2. If gsl-config is not available, try looking in gsl/gsl_version.h + if( NOT GSL_VERSION AND EXISTS "${GSL_INCLUDE_DIRS}/gsl/gsl_version.h" ) + file( STRINGS "${GSL_INCLUDE_DIRS}/gsl/gsl_version.h" gsl_version_h_contents REGEX "define GSL_VERSION" ) + string( REGEX REPLACE ".*([0-9]\\.[0-9][0-9]?).*" "\\1" GSL_VERSION ${gsl_version_h_contents} ) + endif() + + # might also try scraping the directory name for a regex match "gsl-X.X" +endif() + +#============================================================================= +# handle the QUIETLY and REQUIRED arguments and set GSL_FOUND to TRUE if all +# listed variables are TRUE +find_package_handle_standard_args( GSL + FOUND_VAR + GSL_FOUND + REQUIRED_VARS + GSL_INCLUDE_DIR + GSL_LIBRARY + GSL_CBLAS_LIBRARY + VERSION_VAR + GSL_VERSION + ) + +mark_as_advanced( GSL_ROOT_DIR GSL_VERSION GSL_LIBRARY GSL_INCLUDE_DIR + GSL_CBLAS_LIBRARY GSL_LIBRARY_DEBUG GSL_CBLAS_LIBRARY_DEBUG + GSL_USE_PKGCONFIG GSL_CONFIG ) + +#============================================================================= +# Register imported libraries: +# 1. If we can find a Windows .dll file (or if we can find both Debug and +# Release libraries), we will set appropriate target properties for these. +# 2. However, for most systems, we will only register the import location and +# include directory. + +# Look for dlls, or Release and Debug libraries. +if(WIN32) + string( REPLACE ".lib" ".dll" GSL_LIBRARY_DLL "${GSL_LIBRARY}" ) + string( REPLACE ".lib" ".dll" GSL_CBLAS_LIBRARY_DLL "${GSL_CBLAS_LIBRARY}" ) + string( REPLACE ".lib" ".dll" GSL_LIBRARY_DEBUG_DLL "${GSL_LIBRARY_DEBUG}" ) + string( REPLACE ".lib" ".dll" GSL_CBLAS_LIBRARY_DEBUG_DLL "${GSL_CBLAS_LIBRARY_DEBUG}" ) +endif() + +if( GSL_FOUND AND NOT TARGET GSL::gsl ) + if( EXISTS "${GSL_LIBRARY_DLL}" AND EXISTS "${GSL_CBLAS_LIBRARY_DLL}") + + # Windows systems with dll libraries. + add_library( GSL::gsl SHARED IMPORTED ) + add_library( GSL::gslcblas SHARED IMPORTED ) + + # Windows with dlls, but only Release libraries. + set_target_properties( GSL::gslcblas PROPERTIES + IMPORTED_LOCATION_RELEASE "${GSL_CBLAS_LIBRARY_DLL}" + IMPORTED_IMPLIB "${GSL_CBLAS_LIBRARY}" + INTERFACE_INCLUDE_DIRECTORIES "${GSL_INCLUDE_DIRS}" + IMPORTED_CONFIGURATIONS Release + IMPORTED_LINK_INTERFACE_LANGUAGES "C" ) + set_target_properties( GSL::gsl PROPERTIES + IMPORTED_LOCATION_RELEASE "${GSL_LIBRARY_DLL}" + IMPORTED_IMPLIB "${GSL_LIBRARY}" + INTERFACE_INCLUDE_DIRECTORIES "${GSL_INCLUDE_DIRS}" + IMPORTED_CONFIGURATIONS Release + IMPORTED_LINK_INTERFACE_LANGUAGES "C" + INTERFACE_LINK_LIBRARIES GSL::gslcblas ) + + # If we have both Debug and Release libraries + if( EXISTS "${GSL_LIBRARY_DEBUG_DLL}" AND EXISTS "${GSL_CBLAS_LIBRARY_DEBUG_DLL}") + set_property( TARGET GSL::gslcblas APPEND PROPERTY IMPORTED_CONFIGURATIONS Debug ) + set_target_properties( GSL::gslcblas PROPERTIES + IMPORTED_LOCATION_DEBUG "${GSL_CBLAS_LIBRARY_DEBUG_DLL}" + IMPORTED_IMPLIB_DEBUG "${GSL_CBLAS_LIBRARY_DEBUG}" ) + set_property( TARGET GSL::gsl APPEND PROPERTY IMPORTED_CONFIGURATIONS Debug ) + set_target_properties( GSL::gsl PROPERTIES + IMPORTED_LOCATION_DEBUG "${GSL_LIBRARY_DEBUG_DLL}" + IMPORTED_IMPLIB_DEBUG "${GSL_LIBRARY_DEBUG}" ) + endif() + + else() + + # For all other environments (ones without dll libraries), create + # the imported library targets. + add_library( GSL::gsl UNKNOWN IMPORTED ) + add_library( GSL::gslcblas UNKNOWN IMPORTED ) + set_target_properties( GSL::gslcblas PROPERTIES + IMPORTED_LOCATION "${GSL_CBLAS_LIBRARY}" + INTERFACE_INCLUDE_DIRECTORIES "${GSL_INCLUDE_DIRS}" + IMPORTED_LINK_INTERFACE_LANGUAGES "C" ) + set_target_properties( GSL::gsl PROPERTIES + IMPORTED_LOCATION "${GSL_LIBRARY}" + INTERFACE_INCLUDE_DIRECTORIES "${GSL_INCLUDE_DIRS}" + IMPORTED_LINK_INTERFACE_LANGUAGES "C" + INTERFACE_LINK_LIBRARIES GSL::gslcblas ) + endif() +endif() diff --git a/cmake/FindJansson.cmake b/cmake/FindJansson.cmake new file mode 100644 index 0000000..3225923 --- /dev/null +++ b/cmake/FindJansson.cmake @@ -0,0 +1,59 @@ +# - Try to find Jansson +# Once done this will define +# +# JANSSON_FOUND - system has Jansson +# JANSSON_INCLUDE_DIRS - the Jansson include directory +# JANSSON_LIBRARIES - Link these to use Jansson +# +# Copyright (c) 2011 Lee Hambley +# +# Redistribution and use is allowed according to the terms of the New +# BSD license. +# For details see the accompanying COPYING-CMAKE-SCRIPTS file. +# + +if (JANSSON_LIBRARIES AND JANSSON_INCLUDE_DIRS) + # in cache already + set(JANSSON_FOUND TRUE) +else (JANSSON_LIBRARIES AND JANSSON_INCLUDE_DIRS) + find_path(JANSSON_INCLUDE_DIR + NAMES + jansson.h + PATHS + /usr/include + /usr/local/include + /opt/local/include + /sw/include + ) + +find_library(JANSSON_LIBRARY + NAMES + jansson + PATHS + /usr/lib + /usr/local/lib + /opt/local/lib + /sw/lib + ) + +set(JANSSON_INCLUDE_DIRS + ${JANSSON_INCLUDE_DIR} + ) + +if (JANSSON_LIBRARY) + set(JANSSON_LIBRARIES + ${JANSSON_LIBRARIES} + ${JANSSON_LIBRARY} + ) +endif (JANSSON_LIBRARY) + + include(FindPackageHandleStandardArgs) + find_package_handle_standard_args(Jansson DEFAULT_MSG + JANSSON_LIBRARIES JANSSON_INCLUDE_DIRS) + + # show the JANSSON_INCLUDE_DIRS and JANSSON_LIBRARIES variables only in the advanced view + mark_as_advanced(JANSSON_INCLUDE_DIRS JANSSON_LIBRARIES) + +endif (JANSSON_LIBRARIES AND JANSSON_INCLUDE_DIRS) + + diff --git a/minimize.c b/minimize.c deleted file mode 100644 index 4809316..0000000 --- a/minimize.c +++ /dev/null @@ -1,1384 +0,0 @@ -#include -#include -#include -#include -#include - -#include "mol2/json.h" -#include "mol2/benergy.h" -#include "mol2/gbsa.h" -#include "mol2/icharmm.h" -#include "mol2/minimize.h" -#include "mol2/nbenergy.h" -#include "mol2/pdb.h" -#include "mol2/fitting.h" - -#include "nmrgrad/noe.h" - -#define __TOL__ 5E-4 - -#define ERR_MSG(fmt, ...) do { \ - fprintf(stderr,"[Error] (file %s, %s, line %i):\n" fmt "\n" \ - "Exiting ...\n", __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ - exit(EXIT_FAILURE); \ -} while(0) - -#define WRN_MSG(fmt, ...) do { \ - fprintf(stderr,"[Warning] (file %s, %s, line %i):\n" fmt "\n", \ - __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ -} while(0) - -#define INFO_MSG(fmt, ...) do { \ - fprintf(stderr,"[Info]: " fmt, ##__VA_ARGS__); \ -} while(0) - -#define READ_WORD(f, word, line) do { \ - word = NULL; \ - while (fgets(line, 512, f) != NULL) { \ - if (line[0] != '#') {\ - word = strtok(line, " \t\n"); \ - if (word == NULL || word[0] == '#') { \ - ERR_MSG("Line cannot be empty\n"); \ - } \ - break; \ - } \ - } \ -} while(0) - -#define MAGIC_ARGS(arg) { \ - char name[] = #arg; \ - char* pos = strchr(name, '_'); \ - if (pos != NULL) *pos = '-'; \ - if (strcmp(name, long_options[option_index].name) == 0) { \ - arg = optarg; \ - } \ -} - -struct energy_prm { - struct mol_atom_group *ag; - struct agsetup *ag_setup; - struct acesetup *ace_setup; - struct pairsprings_setup *sprst_pairs; - struct pointsprings_setup *sprst_points; - struct noe_setup *nmr; - struct density_setup *fit_prms; - bool no_geom; - bool bonds; - bool angles; - bool torsions; - bool vdw; -}; - -struct pairspring { - int laspr[2]; /**< list of atoms */ - double lnspr; - double erspr; - double fkspr; /**< force constant */ -}; - -struct pointspring { - int naspr; /**< number of affected atoms */ - int *laspr; /**< list of atoms */ - double fkspr; /**< force constant */ - double X0, Y0, Z0; /**< anchor point */ -}; - -struct pairsprings_setup { - int nsprings; /**< number of springs */ - struct pairspring *springs; /**< array of springs */ -}; - -struct pointsprings_setup { - int nsprings; /**< number of springs */ - struct pointspring *springs; /**< array of springs */ -}; - -struct noe_setup { - struct nmr_noe *spec; - double weight; - bool print_noe_matrix; -}; - -struct density_setup { - struct mol_atom_group **ag_list; - int ag_count; - double weight; - struct mol_fitting_params prms; -}; - -void fixed_atoms_read(char *ffile, size_t *nfix, size_t **fix); - -struct pairsprings_setup *pairsprings_setup_read(struct mol_atom_group *ag, char *sfile); - -struct pointsprings_setup *pointsprings_setup_read(struct mol_atom_group *ag, char *sfile); - -struct noe_setup *noe_setup_read(struct mol_atom_group *ag, char *sfile); - -struct density_setup *density_setup_create(char *fitting_pdblist, double weight, double radius); - -void noe_setup_free(struct noe_setup *nmr); - -void density_setup_free(struct density_setup *prms); - -void pairsprings_setup_free(struct pairsprings_setup **sprst); - -void pointsprings_setup_free(struct pointsprings_setup **sprst); - -void _pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een); - -void _pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een); - -static lbfgsfloatval_t energy_func( - void *restrict prm, - const double *restrict array, - double *restrict gradient, - const int array_size, - const lbfgsfloatval_t step); - -static void fprint_energy_terms(FILE *stream, void *restrict prm, char *prefix, json_t *json_model_dict); - -void usage_message(char **argv); - -void help_message(void); - -struct mol_atom_group_list *read_ag_list(char *prm, char *rtf, char *pdb, char *psf, char *json, int score_only); - -struct mol_atom_group_list* merge_ag_lists(struct mol_atom_group_list* ag1, struct mol_atom_group_list* ag2); - -FILE* _fopen_err(char* file, char* mode) { - FILE* f = fopen(file, mode); - if (f == NULL) { - ERR_MSG("Cannot open file %s\n", file); - } - return f; -} - -int main(int argc, char **argv) { - mol_enable_floating_point_exceptions(); - - //static int verbose_flag = 0; - static int ace_flag = 0; - static int torsions_off = 0; - static int print_noe_matrix = 0; - static int score_only = 0; - static int fix_rec = 0; - double fitting_weight = 1.; - char *protocol = NULL; - char *pdb = NULL; - char *psf = NULL; - char *prm = NULL; - char *json = NULL; - char *rtf = NULL; - char *out = NULL; - char *rec_pdb = NULL; - char *rec_psf = NULL; - char *rec_json = NULL; - char *lig_pdb = NULL; - char *lig_psf = NULL; - char *lig_json = NULL; - char *noe_params = NULL; - char *pairsprings = NULL; - char *pointsprings = NULL; - char *fixed_pdb = NULL; - char *fitting_pdblist = NULL; - char *json_log = NULL; - int nsteps = 1000; - static int nonpar_terms_only = 0; // if geometry is not provided - - static struct option long_options[] = - { - //{"verbose", no_argument, &verbose_flag, 1}, - {"rtf", required_argument, 0, 0}, - {"prm", required_argument, 0, 0}, - {"out", required_argument, 0, 0}, - {"protocol", required_argument, 0, 0}, - {"pdb", required_argument, 0, 0}, - {"psf", required_argument, 0, 0}, - {"json", required_argument, 0, 0}, - {"rec-pdb", required_argument, 0, 0}, - {"rec-psf", required_argument, 0, 0}, - {"rec-json", required_argument, 0, 0}, - {"lig-pdb", required_argument, 0, 0}, - {"lig-psf", required_argument, 0, 0}, - {"lig-json", required_argument, 0, 0}, - {"nsteps", required_argument, 0, 0}, - {"noe-params", required_argument, 0, 0}, - {"pairsprings", required_argument, 0, 0}, - {"pointsprings", required_argument, 0, 0}, - {"fitting-pdblist", required_argument, 0, 0}, - {"fitting-weight", required_argument, 0, 0}, - {"fixed-pdb", required_argument, 0, 0}, - {"json-log", required_argument, 0, 0}, - {"gbsa", no_argument, &ace_flag, 1}, - {"torsions-off", no_argument, &torsions_off, 1}, - {"fix-rec", no_argument, &fix_rec, 1}, - {"print_noe_matrix", no_argument, &print_noe_matrix, 1}, - {"score_only", no_argument, &score_only, 1}, - {"help", no_argument, 0, 'h'}, - {0, 0, 0, 0} - }; - - int option_index = 0; - int opt; - while (1) { - opt = getopt_long_only(argc, argv, "h", long_options, &option_index); - - if (opt == -1) { - break; - } - - switch (opt) { - case 0: - if (long_options[option_index].flag != 0) - break; - printf("Option %s", long_options[option_index].name); - if (optarg) - printf(" = %s", optarg); - printf("\n"); - break; - - case 'h': - usage_message(argv); - exit(EXIT_SUCCESS); - break; - - case '?': - usage_message(argv); - exit(EXIT_FAILURE); - break; - - default: - usage_message(argv); - exit(EXIT_FAILURE); - break; - } - - MAGIC_ARGS(rtf); - MAGIC_ARGS(prm); - MAGIC_ARGS(out); - MAGIC_ARGS(pdb); - MAGIC_ARGS(json); - MAGIC_ARGS(psf); - MAGIC_ARGS(protocol); - MAGIC_ARGS(rec_pdb); - MAGIC_ARGS(rec_psf); - MAGIC_ARGS(rec_json); - MAGIC_ARGS(lig_pdb); - MAGIC_ARGS(lig_psf); - MAGIC_ARGS(lig_json); - MAGIC_ARGS(noe_params); - MAGIC_ARGS(pairsprings); - MAGIC_ARGS(pointsprings); - MAGIC_ARGS(fitting_pdblist); - MAGIC_ARGS(fixed_pdb); - MAGIC_ARGS(json_log); - - if (strcmp("nsteps", long_options[option_index].name) == 0) { - nsteps = atoi(optarg); - } - if (strcmp("fitting-weight", long_options[option_index].name) == 0) { - fitting_weight = atof(optarg); - } - } - - struct mol_atom_group_list *aglist = NULL; - - if (protocol != NULL && score_only != 0) { - ERR_MSG("--protocol is not effective, when --score_only flag is provided\n"); - } - - if ((rtf == NULL || prm == NULL) && json == NULL && (lig_json == NULL || rec_json)) { - if (score_only != 0) { - nonpar_terms_only = 1; - WRN_MSG("Without parameter files or json files score_only can compute only NOE, Pairsprings, Pointsprings and Density score\n"); - } else { - ERR_MSG("A pair of RTF and PRM files, a JSON file or --scory_only flag is required\n"); - } - } - - if (nsteps < 0) { - ERR_MSG("Number of steps must be non-negative (nsteps = %i)\n", nsteps); - } - - if (out == NULL) { - out = "min.pdb"; - } - - if (pdb != NULL || json != NULL) { - aglist = read_ag_list(prm, rtf, pdb, psf, json, score_only); - } else { - struct mol_atom_group_list *rec_aglist, *lig_aglist; - rec_aglist = read_ag_list(prm, rtf, rec_pdb, rec_psf, rec_json, score_only); - lig_aglist = read_ag_list(prm, rtf, lig_pdb, lig_psf, lig_json, score_only); - aglist = merge_ag_lists(rec_aglist, lig_aglist); - mol_atom_group_list_free(rec_aglist); - mol_atom_group_list_free(lig_aglist); - } - INFO_MSG("Finished creating atom group\n"); - - // Fill minimization parameters - INFO_MSG("Filling energy parameters\n"); - struct energy_prm engpar; - engpar.no_geom = false; - engpar.bonds = true; - engpar.angles = true; - engpar.torsions = true; - engpar.vdw = true; - - // Torsions - if (torsions_off == 1) { - INFO_MSG("Torsions OFF\n"); - engpar.torsions = false; - } - - // If geometry is not provided - if (nonpar_terms_only != 0) { - INFO_MSG("Geometry OFF\n"); - engpar.no_geom = true; - engpar.bonds = false; - engpar.angles = false; - engpar.torsions = false; - engpar.vdw = false; - } - - // NMR 2D spectrum - if (noe_params != NULL) { - INFO_MSG("NMR ON\n"); - engpar.nmr = noe_setup_read(&aglist->members[0], noe_params); - engpar.nmr->print_noe_matrix = print_noe_matrix; - } else { - engpar.nmr = NULL; - } - - // Pairsprings - if (pairsprings != NULL) { - INFO_MSG("Pairsprings ON\n"); - engpar.sprst_pairs = pairsprings_setup_read(&aglist->members[0], pairsprings); - } else { - engpar.sprst_pairs = NULL; - } - - // Point springs - if (pointsprings != NULL) { - INFO_MSG("Pointsprings ON\n"); - engpar.sprst_points = pointsprings_setup_read(&aglist->members[0], pointsprings); - } else { - engpar.sprst_points = NULL; - }; - - // Density fitting - if (fitting_pdblist != NULL) { - INFO_MSG("Density ON\n"); - engpar.fit_prms = density_setup_create(fitting_pdblist, fitting_weight, 2.0); - } else { - engpar.fit_prms = NULL; - } - - // Fixed part - size_t nfix_glob = 0; - size_t *fix_glob = NULL; - if (fixed_pdb != NULL) { - INFO_MSG("Fixed atoms ON\n"); - fixed_atoms_read(fixed_pdb, &nfix_glob, &fix_glob); - } - - // Init json array to record energy terms fro each model - json_t *json_log_root = NULL; - if (json_log != NULL) { - INFO_MSG("Energy terms to JSON file ON\n"); - json_log_root = json_array(); - } - - // Start main loop - FILE *outfile = NULL; - if (score_only == 0) { - outfile = _fopen_err(out, "w"); - } - - INFO_MSG("Started the main loop\n"); - for (int modeli = 0; modeli < aglist->size; modeli++) { - INFO_MSG("Started model %i\n", modeli); - - if (aglist->size > 1) { - if (outfile != NULL) { - fprintf(outfile, "MODEL %i\n", (modeli + 1)); - } - } - - struct mol_atom_group *ag = &aglist->members[modeli]; - engpar.ag = ag; - - // Init json log for current model - json_t *json_start_dict = NULL, *json_final_dict = NULL, *json_model_dict = NULL; - if (json_log_root != NULL) { - json_model_dict = json_object(); - json_array_append(json_log_root, json_model_dict); - } - - struct agsetup ags; - struct acesetup ace_setup; - - // If no parameters was provided skip atom group setup - if (!engpar.no_geom) { - ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); - - // Setup fixed atoms and lists - mol_fixed_init(ag); - mol_fixed_update(ag, nfix_glob, fix_glob); - - init_nblst(ag, &ags); - update_nblst(ag, &ags); - - if (ace_flag == 1) { - ace_setup.efac = 0.5; - ace_ini(ag, &ace_setup); - ace_fixedupdate(ag, &ags, &ace_setup); - ace_updatenblst(&ags, &ace_setup); - } - - // Setup GBSA - engpar.ag_setup = &ags; - if (ace_flag == 1) { - engpar.ace_setup = &ace_setup; - } else { - engpar.ace_setup = NULL; - } - } - - // If not score_only, enter minimization function - if (score_only == 0) { - if (protocol != NULL) { - FILE *prot_file = _fopen_err(protocol, "r"); - int cur_nsteps; - char fix_path[1024]; - char spr_pair_path[1024]; - char spr_point_path[1024]; - - int c; - while ((c = fscanf(prot_file, "%i %s %s %s", &cur_nsteps, fix_path, - spr_pair_path, spr_point_path)) != EOF) { - if (c != 4) { - ERR_MSG("Wrong protocol file format (%i words read)\n", c); - } - - if (cur_nsteps < 0) { - ERR_MSG("Wrong protocol file format (number of steps must be non-negative)\n"); - } - - size_t nfix = 0; - size_t *fix = NULL; - - // Setup fixed atoms - if (strcmp(fix_path, ".") != 0) { - fixed_atoms_read(fix_path, &nfix, &fix); - mol_fixed_update(ag, nfix, fix); - update_nblst(ag, &ags); - - if (ace_flag == 1) { - ace_fixedupdate(ag, &ags, &ace_setup); - ace_updatenblst(&ags, &ace_setup); - } - - free(fix); - fix = NULL; - } - - // Setup springs - struct pairsprings_setup *sprst_pairs = NULL; - struct pointsprings_setup *sprst_points = NULL; - - if (strcmp(spr_pair_path, ".") != 0) { - sprst_pairs = pairsprings_setup_read(ag, spr_pair_path); - } - - if (strcmp(spr_point_path, ".") != 0) { - sprst_points = pointsprings_setup_read(ag, spr_point_path); - } - - engpar.ag_setup = &ags; - engpar.sprst_pairs = sprst_pairs; - engpar.sprst_points = sprst_points; - - // GBSA - if (ace_flag == 1) { - engpar.ace_setup = &ace_setup; - } else { - engpar.ace_setup = NULL; - } - - // Record starting energy terms - if (json_model_dict != NULL) { - json_start_dict = json_object(); - json_object_set(json_model_dict, "START", json_start_dict); - } - fprint_energy_terms(outfile, &engpar, "REMARK START ", json_start_dict); - - // Minimize energy - if (cur_nsteps > 0) { - mol_minimize_ag(MOL_LBFGS, cur_nsteps, __TOL__, ag, (void *) (&engpar), energy_func); - } - - pairsprings_setup_free(&sprst_pairs); - pointsprings_setup_free(&sprst_points); - } - } else { - // Record starting energy terms - if (json_model_dict != NULL) { - json_start_dict = json_object(); - json_object_set(json_model_dict, "START", json_start_dict); - } - fprint_energy_terms(outfile, &engpar, "REMARK START ", json_start_dict); - - // Minimize energy - if (nsteps > 0) { - mol_minimize_ag(MOL_LBFGS, nsteps, __TOL__, ag, (void *) (&engpar), energy_func); - } - } - } - - // Record final energy terms - if (json_model_dict != NULL) { - json_final_dict = json_object(); - json_object_set(json_model_dict, "FINAL", json_final_dict); - } - if (outfile != NULL) { - fprintf(outfile, "REMARK\n"); - } - fprint_energy_terms(outfile, &engpar, "REMARK FINAL ", json_final_dict); - - // Write final model - if (outfile != NULL) { - mol_fwrite_pdb(outfile, ag); - if (aglist->size > 1) { - fprintf(outfile, "ENDMDL\n"); - } - fflush(outfile); - } - - if (ags.nblst != NULL) { - destroy_agsetup(&ags); - } - } - INFO_MSG("Finished minimization loop\n"); - - // Free everything - noe_setup_free(engpar.nmr); - density_setup_free(engpar.fit_prms); - - if (engpar.sprst_points != NULL) { - pointsprings_setup_free(&engpar.sprst_points); - } - if (engpar.sprst_pairs != NULL) { - pairsprings_setup_free(&engpar.sprst_pairs); - } - if (fix_glob != NULL) { - free(fix_glob); - } - if (json_log_root != NULL) { - json_dump_file(json_log_root, json_log, JSON_INDENT(4)); - json_decref(json_log_root); - } - - if (outfile != NULL) { - fclose(outfile); - } - mol_atom_group_list_free(aglist); - - INFO_MSG("Completed\n"); - return EXIT_SUCCESS; -} - - -static lbfgsfloatval_t energy_func( - void *restrict prm, - const double *restrict array, - double *restrict gradient, - const int array_size, - const lbfgsfloatval_t step) { - lbfgsfloatval_t energy = 0.0; - struct energy_prm *energy_prm = (struct energy_prm *) prm; - - if (array != NULL) { - assert(array_size == energy_prm->ag->active_atoms->size * 3); - mol_atom_group_set_actives(energy_prm->ag, array); - } - bool updated = check_clusterupdate(energy_prm->ag, energy_prm->ag_setup); - if (updated) { - if (energy_prm->ace_setup != NULL) { - ace_updatenblst(energy_prm->ag_setup, energy_prm->ace_setup); - } - } - - mol_zero_gradients(energy_prm->ag); - - if (energy_prm->ace_setup != NULL) { - aceeng(energy_prm->ag, &energy, energy_prm->ace_setup, energy_prm->ag_setup); - } - - if (energy_prm->vdw) { - vdweng(energy_prm->ag, &energy, energy_prm->ag_setup->nblst); - vdwengs03(1.0, energy_prm->ag_setup->nblst->nbcof, energy_prm->ag, &energy, - energy_prm->ag_setup->nf03, energy_prm->ag_setup->listf03); - } - - if (energy_prm->bonds) { - beng(energy_prm->ag, &energy); - } - - if (energy_prm->angles) { - aeng(energy_prm->ag, &energy); - } - - if (energy_prm->torsions) { - teng(energy_prm->ag, &energy); - ieng(energy_prm->ag, &energy); - } - - if (energy_prm->sprst_pairs != NULL) { - _pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &energy); - } - - if (energy_prm->sprst_points != NULL) { - _pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &energy); - } - - if (energy_prm->nmr != NULL) { - struct nmr_noe *spec = energy_prm->nmr->spec; - nmr_r2_mat(spec->r2, energy_prm->ag, spec->grps); - nmr_compute_peaks(spec, energy_prm->ag); - nmr_energy(spec, energy_prm->ag->gradients, energy_prm->nmr->weight); - energy += spec->energy; - } - - if (energy_prm->fit_prms != NULL) { - energy += mol_fitting_score_aglist(energy_prm->ag, - energy_prm->fit_prms->ag_list, - energy_prm->fit_prms->ag_count, - &energy_prm->fit_prms->prms, - energy_prm->fit_prms->weight); - } - - if (gradient != NULL) { - for (int i = 0; i < array_size / 3; i++) { - int atom_i = energy_prm->ag->active_atoms->members[i]; - gradient[3 * i] = -energy_prm->ag->gradients[atom_i].X; - gradient[3 * i + 1] = -energy_prm->ag->gradients[atom_i].Y; - gradient[3 * i + 2] = -energy_prm->ag->gradients[atom_i].Z; - } - } - - return energy; -} - -static void fprint_energy_terms(FILE *stream, void *restrict prm, char *prefix, json_t *json_model_dict) { - lbfgsfloatval_t energy = 0.0; - lbfgsfloatval_t total = 0.0; - struct energy_prm *energy_prm = (struct energy_prm *) prm; - - char fmt[1024]; - strcpy(fmt, prefix); - - if (!energy_prm->no_geom) { - bool updated = check_clusterupdate(energy_prm->ag, energy_prm->ag_setup); - if (updated) { - if (energy_prm->ace_setup != NULL) { - ace_updatenblst(energy_prm->ag_setup, energy_prm->ace_setup); - } - } - - if (energy_prm->ace_setup != NULL) { - aceeng(energy_prm->ag, &energy, energy_prm->ace_setup, energy_prm->ag_setup); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "ACE: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "ACE", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->vdw) { - vdweng(energy_prm->ag, &energy, energy_prm->ag_setup->nblst); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "VDW: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "VDW", json_real(energy)); - } - total += energy; - energy = 0.0; - - vdwengs03(1.0, energy_prm->ag_setup->nblst->nbcof, energy_prm->ag, &energy, - energy_prm->ag_setup->nf03, energy_prm->ag_setup->listf03); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "VDW03: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "VDW03", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->bonds) { - beng(energy_prm->ag, &energy); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Bonds % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Bonds", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->angles) { - aeng(energy_prm->ag, &energy); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Angles: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Angles", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->torsions) { - teng(energy_prm->ag, &energy); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Torsions: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Torsions", json_real(energy)); - } - total += energy; - energy = 0.0; - - ieng(energy_prm->ag, &energy); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Impropers: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Impropers", json_real(energy)); - } - total += energy; - energy = 0.0; - } - } - - if (energy_prm->sprst_pairs != NULL) { - _pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &energy); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Pairsprings: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Pairsprings", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->sprst_points != NULL) { - _pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &energy); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Pointsprings: % .3f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Pointsprings", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->nmr != NULL) { - nmr_r2_mat(energy_prm->nmr->spec->r2, energy_prm->ag, energy_prm->nmr->spec->grps); - nmr_compute_peaks_no_grad(energy_prm->nmr->spec, energy_prm->ag); - energy = nmr_energy(energy_prm->nmr->spec, NULL, energy_prm->nmr->weight); - - if (energy_prm->nmr->print_noe_matrix) { - strcpy(fmt, prefix); - fprintf(stdout, strcat(fmt, "NOESY_MATRIX_SCALE: %e\n"), energy_prm->nmr->spec->scale); - nmr_matrix_fwrite(stdout, energy_prm->nmr->spec->in, energy_prm->nmr->spec->size); - } - - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "NOE: % .6f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "NOE", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - if (energy_prm->fit_prms != NULL) { - energy = mol_fitting_score_aglist(energy_prm->ag, - energy_prm->fit_prms->ag_list, - energy_prm->fit_prms->ag_count, - &energy_prm->fit_prms->prms, - energy_prm->fit_prms->weight); - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Density: % .4f\n"), energy); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Density", json_real(energy)); - } - total += energy; - energy = 0.0; - } - - strcpy(fmt, prefix); - if (stream != NULL) { - fprintf(stream, strcat(fmt, "Total: % .3f\n"), total); - } - if (json_model_dict != NULL) { - json_object_set_new(json_model_dict, "Total", json_real(total)); - } -} - - - - -/* - * Create mol_atom_group_list with geometry (if score_only == 1 can be without) - */ -struct mol_atom_group_list *read_ag_list(char *prm, char *rtf, char *pdb, char *psf, char *json, int score_only) { - INFO_MSG("Started reading a new atom group\n"); - struct mol_atom_group_list* ag_list = NULL; - struct mol_atom_group* ag_json = NULL; - - if (json != NULL) { - INFO_MSG("Reading json file %s\n", json); - ag_json = mol_read_json(json); - - if (psf != NULL) { - WRN_MSG("Parameter --psf is not effective, since --json was provided\n"); - } - } - - if (pdb != NULL) { - INFO_MSG("Reading %s\n", pdb); - INFO_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); - ag_list = mol_read_pdb_models(pdb); - - if (ag_list == NULL) { - INFO_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file\n", pdb); - struct mol_atom_group* ag = mol_read_pdb(pdb); - if (ag == NULL) { - ERR_MSG("Failed reading %s", pdb); - } - - ag_list = mol_atom_group_list_create(1); - ag_list->members[0] = *ag; - free(ag); - } - - if (ag_json != NULL) { - INFO_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); - // Copy geometry from json to aglist - struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); - - for (size_t i = 0; i < fin_aglist->size; i++) { - struct mol_atom_group* tmp_copy = mol_atom_group_copy(ag_json); - fin_aglist->members[i] = *tmp_copy; - free(tmp_copy); // Do I need this? - - if (fin_aglist->members[i].natoms != ag_list->members[i].natoms) { - ERR_MSG("Model %i in %s and %s have different atom numbers (%i, %i)", - (int) i, pdb, json, - (int) ag_list->members[i].natoms, - (int) fin_aglist->members[i].natoms); - } - memcpy(fin_aglist->members[i].coords, - ag_list->members[i].coords, - sizeof(struct mol_vector3) * ag_list->members[i].natoms); - } - mol_atom_group_list_free(ag_list); - mol_atom_group_free(ag_json); - ag_list = fin_aglist; - - } else if (psf != NULL) { - INFO_MSG("Reading geometry from %s\n", psf); - for (size_t i = 0; i < ag_list->size; i++) { - mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf); - } - } else if (score_only != 0) { - WRN_MSG("Geometry for the molecule is not provided, computing only non-parametric terms\n"); - } else { - ERR_MSG("--json or --psf must be provided with --pdb"); - } - } else if (ag_json != NULL) { - INFO_MSG("Using geometry and coordinates from %s\n", json); - ag_list = mol_atom_group_list_create(1); - ag_list->members[0] = *ag_json; - free(ag_json); - - } else { - ERR_MSG("Json or pdb file must be provided"); - } - - return ag_list; -} - - -struct mol_atom_group_list* merge_ag_lists(struct mol_atom_group_list* ag1, struct mol_atom_group_list* ag2) { - if (ag1->size != ag2->size) { - ERR_MSG("Receptor and ligand have different numbers of models (%i, %i)", (int)ag1->size, (int)ag2->size); - } - - INFO_MSG("Using models assembled from receptor and ligand models provided separately\n"); - struct mol_atom_group_list *ag_list = mol_atom_group_list_create(ag1->size); - for (size_t i = 0; i < ag_list->size; i++) { - struct mol_atom_group* _join = mol_atom_group_join(&ag1->members[i], &ag2->members[i]); - ag_list->members[i] = *_join; - free(_join); - //ag_list->members[i] = *mol_atom_group_join(&ag1->members[i], &ag2->members[i]); - } - - return ag_list; -} - - -struct density_setup *density_setup_create(char *fitting_pdblist, double weight, double radius) { - struct density_setup *fit_prms = calloc(1, sizeof(struct density_setup)); - - FILE *f = _fopen_err(fitting_pdblist, "r"); - char pdb_file[512]; - struct mol_atom_group **aglist = calloc(1, sizeof(struct mol_atom_group *)); - int ag_count = 0; - int cur_size = 1; - while (fgets(pdb_file, 512, f) != NULL) { - // Remove new line character - for (int i = 0; i < 512; i++) { - if (pdb_file[i] == '\n') { - pdb_file[i] = '\0'; - break; - } - } - - struct mol_atom_group *ag = mol_read_pdb(pdb_file); - ag_count++; - - if (ag_count > cur_size) { - cur_size *= 2; - aglist = realloc(aglist, cur_size * sizeof(struct mol_atom_group *)); - } - - aglist[ag_count - 1] = ag; - } - - fit_prms->ag_list = aglist; - fit_prms->ag_count = ag_count; - fit_prms->prms.radius = radius; - fit_prms->weight = weight; - return fit_prms; -} - - -void density_setup_free(struct density_setup *prms) { - if (prms != NULL) { - for (int i = 0; i < prms->ag_count; i++) { - mol_atom_group_free(prms->ag_list[i]); - } - free(prms->ag_list); - free(prms); - } -} - - -struct noe_setup *noe_setup_read(struct mol_atom_group *ag, char *sfile) { - struct noe_setup *nmr = calloc(1, sizeof(struct noe_setup)); - - char line[512]; - FILE *f = _fopen_err(sfile, "r"); - - char *word; - READ_WORD(f, word, line); - char groups_path[512]; - strcpy(groups_path, word); - - READ_WORD(f, word, line); - char matrix_path[512]; - strcpy(matrix_path, word); - - READ_WORD(f, word, line); - double freq = atof(word); - - READ_WORD(f, word, line); - double corr_time = atof(word); - - READ_WORD(f, word, line); - double mix_time = atof(word); - - READ_WORD(f, word, line); - double dist_cutoff = atof(word); - - READ_WORD(f, word, line); - bool mask_on = false; - if (strcmp(word, "on\0") == 0) { - mask_on = true; - } else if (strcmp(word, "off\0") != 0) { - ERR_MSG("Wrong value (on/off)"); - } - - READ_WORD(f, word, line); - double weight = atof(word); - - fclose(f); - - struct nmr_group_list *groups = nmr_group_list_read(groups_path); - nmr->spec = nmr_noe_create(groups, freq, corr_time, mix_time, dist_cutoff); - nmr->spec->in_grad = nmr_grad_create(ag->natoms, groups->ngroups); - nmr->spec->rx_grad = nmr_grad_create(ag->natoms, groups->ngroups); - - nmr->spec->omega = freq; - nmr->spec->t_mix = mix_time; - nmr->spec->t_cor = corr_time; - nmr->spec->cutoff = dist_cutoff; - - int *mask = NULL; - if (mask_on) { - mask = calloc(groups->ngroups * groups->ngroups, sizeof(int)); - } - nmr->spec->exp = nmr_matrix_read(matrix_path, groups->ngroups, mask); - - nmr->weight = weight; - - nmr->print_noe_matrix = false; - - return nmr; -} - -void noe_setup_free(struct noe_setup *nmr) { - if (nmr != NULL) { - nmr_noe_free(nmr->spec); - free(nmr); - } -} - -void fixed_atoms_read(char *ffile, size_t *nfix, size_t **fix) { - int linesz = 91; - char *buffer = calloc(linesz, sizeof(char)); - - *nfix = 0; - FILE *fp = _fopen_err(ffile, "r"); - - while (fgets(buffer, linesz - 1, fp) != NULL) { - if (!strncmp(buffer, "ATOM", 4))(*nfix)++; - } - - rewind(fp); - *fix = calloc(*nfix, sizeof(size_t)); - int na = 0; - - while (fgets(buffer, linesz - 1, fp) != NULL) { - if (!strncmp(buffer, "ATOM", 4)) { - (*fix)[na] = atoi(buffer + 4) - 1; - na++; - } - } - - free(buffer); - fclose(fp); -} - -struct pairsprings_setup *pairsprings_setup_read(struct mol_atom_group *ag, char *sfile) { - FILE *fp = _fopen_err(sfile, "r"); - - struct pairsprings_setup *sprst; - sprst = calloc(1, sizeof(struct pairsprings_setup)); - - int c; - if (fscanf(fp, "%i", &sprst->nsprings) != 1) { - ERR_MSG("Wrong spring file format\n"); - } - - sprst->springs = calloc(sprst->nsprings, sizeof(struct pairspring)); - struct pairspring *sprs = sprst->springs; - - int id = 0; - char name1[8], name2[8]; - int aid1, aid2; - while (id < sprst->nsprings) { - // id1 n1 id2 n2 len err fk - c = fscanf(fp, "%lf %lf %lf %i %s %i %s", &sprs[id].lnspr, &sprs[id].erspr, - &sprs[id].fkspr, &aid1, name1, &aid2, name2); - - //printf("%lf %lf %lf %i %s %i %s\n", sprs[id].lnspr, sprs[id].erspr, sprs[id].fkspr, aid1, name1, aid2, name2); - if (c != 7) { - ERR_MSG("Wrong spring file format\n"); - } - - if (strstr(ag->atom_name[aid1-1], name1) == NULL) { - ERR_MSG("Inconsistent numbering in file %s\n" - "Provided atom %i has name (%i, %s, %s) instead of %s\n", - sfile, aid1, ag->residue_id[aid1-1].residue_seq, ag->residue_name[aid1-1], ag->atom_name[aid1-1], name1); - } - if (strstr(ag->atom_name[aid2 - 1], name2) == NULL) { - ERR_MSG("Inconsistent numbering in file %s\n" - "Provided atom %i has name (%i, %s, %s) instead of %s\n", - sfile, aid2, ag->residue_id[aid2-1].residue_seq, ag->residue_name[aid2-1], ag->atom_name[aid2-1], name2); - } - - sprs[id].laspr[0] = aid1 - 1; - sprs[id].laspr[1] = aid2 - 1; - - id++; - } - - fclose(fp); - return sprst; -} - -struct pointsprings_setup *pointsprings_setup_read(struct mol_atom_group *ag, char *sfile) { - FILE *fp = _fopen_err(sfile, "r"); - - struct pointsprings_setup *sprst; - sprst = calloc(1, sizeof(struct pointsprings_setup)); - - int c; - if (fscanf(fp, "%i", &sprst->nsprings) != 1) { - ERR_MSG("Wrong spring file format\n"); - } - - sprst->springs = calloc(sprst->nsprings, sizeof(struct pointspring)); - struct pointspring *sprs = sprst->springs; - - int id = 0; - char name[8]; - int aid, naspr; - double fkspr, X0, Y0, Z0; - - while (id < sprst->nsprings) { - c = fscanf(fp, "%i %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); - if (c != 5) { - ERR_MSG("Wrong spring file format\n"); - } - - sprs[id].naspr = naspr; - sprs[id].fkspr = fkspr; - sprs[id].X0 = X0; - sprs[id].Y0 = Y0; - sprs[id].Z0 = Z0; - sprs[id].laspr = calloc(naspr, sizeof(int)); - - for (int i = 0; i < naspr; i++) { - c = fscanf(fp, "%i %s", &aid, name); - if (c != 2) { - ERR_MSG("Wrong spring file format\n"); - } - - if (strstr(ag->atom_name[aid - 1], name) == NULL) { - ERR_MSG("Inconsistent numbering in file %s\n" - "Provided atom %i has name (%i, %s, %s) instead of %s\n", - sfile, aid, ag->residue_id[aid-1].residue_seq, ag->residue_name[aid-1], ag->atom_name[aid-1], name); - } - - sprs[id].laspr[i] = aid - 1; - } - - id++; - } - - fclose(fp); - return sprst; -} - -void pairsprings_setup_free(struct pairsprings_setup **sprst) { - if (*sprst != NULL) { - free((*sprst)->springs); - free(*sprst); - *sprst = NULL; - } -} - -void pointsprings_setup_free(struct pointsprings_setup **sprst) { - if (*sprst != NULL) { - for (int i = 0; i < (*sprst)->nsprings; i++) { - free((*sprst)->springs[i].laspr); - } - free((*sprst)->springs); - free(*sprst); - *sprst = NULL; - } -} - -void _pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een) { - int i, i1, i2, nat; - double xtot, ytot, ztot, fk; - struct mol_vector3 g; - - for (i = 0; i < sprst->nsprings; i++) { - nat = sprst->springs[i].naspr; - - if (nat > 0) { - xtot = 0.0; - ytot = 0.0; - ztot = 0.0; - - for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].laspr[i1]; - xtot += ag->coords[i2].X; - ytot += ag->coords[i2].Y; - ztot += ag->coords[i2].Z; - } - - xtot = xtot / nat - sprst->springs[i].X0; - ytot = ytot / nat - sprst->springs[i].Y0; - ztot = ztot / nat - sprst->springs[i].Z0; - - fk = sprst->springs[i].fkspr; - (*een) += fk * (xtot * xtot + ytot * ytot + ztot * ztot); - - fk = 2 * fk / nat; - g.X = xtot * fk; - g.Y = ytot * fk; - g.Z = ztot * fk; - - for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].laspr[i1]; - MOL_VEC_SUB(ag->gradients[i2], ag->gradients[i2], g); - } - } - } -} - -void _pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group* ag, double *een) { - int i, i1, i2; - double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; - struct mol_vector3 g; - - for (i = 0; i < sprst->nsprings; i++) { - ln = sprst->springs[i].lnspr; - er = sprst->springs[i].erspr; - fk = sprst->springs[i].fkspr / 2.0; - - i1 = sprst->springs[i].laspr[0]; - i2 = sprst->springs[i].laspr[1]; - - xtot = ag->coords[i2].X - ag->coords[i1].X; - ytot = ag->coords[i2].Y - ag->coords[i1].Y; - ztot = ag->coords[i2].Z - ag->coords[i1].Z; - - d2 = xtot * xtot + ytot * ytot + ztot * ztot; - d = sqrt(d2); - - delta = fabs(d - ln); - delta = (delta > er) ? ((delta - er) * delta / (d - ln)) : 0.0; - - //(*een) += fk * (d - ln) * (d - ln); - (*een) += fk * delta * delta; - //coef = fk * 2 * (1.0 - ln / d); - coef = fk * 2.0 * delta / d; - - g.X = -coef * xtot; - g.Y = -coef * ytot; - g.Z = -coef * ztot; - - MOL_VEC_SUB(ag->gradients[i1], ag->gradients[i1], g); - MOL_VEC_ADD(ag->gradients[i2], ag->gradients[i2], g); - } -} - -void usage_message(char **argv) { - printf("\nUsage %s [ options ]\n\n", argv[0]); - help_message(); -} - - -void help_message(void) { - printf("\t--prm ------------------ Parameter file (required)\n" - "\t--rtf ------------------ Topology file (required)\n" - "\t--pdb ------------------ Full molecule pdb file (can contain multiple models)\n" - "\t--psf ------------------ Full molecule psf file\n" - "\t--json ----------------- Full molecule json file\n" - "\t--rec-pdb -------------- Receptor pdb file\n" - "\t--rec-psf -------------- Receptor psf file\n" - "\t--rec-json ------------- Receptor json file\n" - "\t--lig-pdb -------------- Ligand pdb file\n" - "\t--lig-psf -------------- Ligand psf file\n" - "\t--lig-json ------------- Ligand json file\n" - "\t--out ------------------ Minimized structure (default: min.pdb)\n" - "\t--protocol ------------- Protocol file\n" - "\t--torsions-off --------- Turns torsional forces off\n" - "\t--fitting-pdb ---------- PDB file for atomic density fitting\n" - "\t--fitting-weight ------- Weight of atomic density fit in energy function\n" - "\t--noe-params ----------- File with 2D NOE spectrum params\n" - "\t--pairsprings ---------- File with pairwise distance restraints\n" - "\t--pointsprings --------- File with point distance restraints\n" - "\t--score_only ----------- Don't run minimization, just score the models\n" - "\t--nsteps --------------- Number of minimization steps (default: 1000)\n" - "\t--gbsa ----------------- Turn GBSA on (default: off)\n" - "\t--json-log ------------- Log starting and final energy terms to specified json file\n" - "\t--help ----------------- This message\n\n" - - "Protocol file format:\n\n" - "\t> number_of_steps1 fixed_atoms_file1 pair_springs_file1 point_springs_file1\n" - "\t> number_of_steps2 fixed_atoms_file2 pair_springs_file2 point_springs_file2\n" - "\t> ...\n\n" - - "Pairwise springs file format:\n\n" - "\t> number_of_springs\n" - "\t> length absolute_error force_constant atom1_id(PDB) atom1_name atom2_id(PDB) atom2_name\n" - "\t> ...\n\n" - - "Point springs (attached to a single point) file format:\n\n" - "\t> number_of_springs\n" - "\t> number_of_atoms_attached force_constant X0 Y0 Z0\n" - "\t> atom1_id(from PDB) atom1_name\n" - "\t> atom2_id(from PDB) atom2_name\n" - "\t> ...\n\n" - - "NOE params file format (lines starting with # are skipped):\n" - "\tAtom group file path\n" - "\tExperimental matrix file path\n" - "\tFrequency (in GHz): ex. 0.00006\n" - "\tCorrelation time (in nanoseconds): ex. 0.1\n" - "\tMixing time (in seconds): ex. 0.3\n" - "\tDistance cutoff for atom groups (Angstroms): ex. 10\n" - "\tMask everything except for the peaks on experimental matrix, when computing NMR energy (on/off)\n" - "\tNMR energy weight in energy function\n\n" - - "\tNOE params file example:\n" - "\t> # groups file\n" - "\t> 104.fake_groups\n" - "\t> # experimental matrix\n" - "\t> 104.fake_mat\n" - "\t> # frequency\n" - "\t> 0.00006\n" - "\t> # cor time\n" - "\t> 0.1\n" - "\t> # mix time\n" - "\t> 0.3\n" - "\t> # distance cutoff\n" - "\t> 1000\n" - "\t> # mask\n" - "\t> off\n" - "\t> # nmr energy weight\n" - "\t> 100.0\n\n" - - "Fixed atoms file format: simply a slice of pdb containing fixed atoms\n\n" - - "If you wish to skip any of the files in the protocol file,\n" - "just replace it with a dot \".\". For instance if no fixed atoms\n" - "are needed then the line should be \n" - "\t1000 . spring_pairs spring_points\n\n" - - "WARNING: If ligand and receptor are specified separately,\n" - "\tthen ligand atom ids need to be increased by the number of receptor atoms.\n" - "\tConsistency is verified by comparing atom names.\n\n"); -} - diff --git a/src/minimize.c b/src/minimize.c new file mode 100644 index 0000000..ec35bcb --- /dev/null +++ b/src/minimize.c @@ -0,0 +1,188 @@ +#include +#include +#include +#include +#include + +#include "utils.h" +#include "potentials.h" +#include "parse_options.h" + +#define __TOL__ 5E-4 + +static lbfgsfloatval_t energy_func( + void *restrict prm, + const double *restrict array, + double *restrict gradient, + const int array_size, + const lbfgsfloatval_t step); + + +int main(int argc, char **argv) { + mol_enable_floating_point_exceptions(); + + struct options parsed = parse_args(argc, argv); + + struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(parsed); + if (!ag_list) { + ERR_MSG("Couldn't read atom groups"); + exit(EXIT_FAILURE); + } + + struct energy_prm* min_prms; + size_t nstages; + if (!energy_prm_read(&min_prms, &nstages, parsed, ag_list)) { + ERR_MSG("Couldn't fill params"); + mol_atom_group_list_free(ag_list); + exit(EXIT_FAILURE); + } + + INFO_MSG("Started the main loop\n"); + FILE* out_pdb = fopen(parsed.out_pdb, "w"); + if (!out_pdb) { + ERR_MSG("Can't open %s", parsed.out_pdb); + mol_atom_group_list_free(ag_list); + exit(EXIT_FAILURE); + } + + for (int modeli = 0; modeli < ag_list->size; modeli++) { + INFO_MSG("Started model %i\n", modeli); + + if (ag_list->size > 1) { + if (out_pdb != NULL) { + fprintf(out_pdb, "MODEL %i\n", (modeli + 1)); + } + } + + struct mol_atom_group *ag = &ag_list->members[modeli]; + ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); + + for (size_t stage_id; stage_id < nstages; stage_id++) { + struct energy_prm *stage_prms = &min_prms[stage_id]; + + stage_prms->ag = ag; + + // Setup fixed atoms and lists + mol_fixed_init(ag); + + if (stage_prms->fixed) { + mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); + } else { + mol_fixed_update(ag, 0, NULL); + } + + init_nblst(ag, stage_prms->ag_setup); + update_nblst(ag, stage_prms->ag_setup); + + if (stage_prms->gbsa) { + stage_prms->ace_setup->efac = 0.5; + ace_ini(ag, stage_prms->ace_setup); + ace_fixedupdate(ag, stage_prms->ag_setup, stage_prms->ace_setup); + ace_updatenblst(stage_prms->ag_setup, stage_prms->ace_setup); + } + + mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) (&stage_prms), energy_func); + } + } + + FILE* out_json = fopen(parsed.out_json, "w"); + if (!out_json) { + ERR_MSG("Can't open %s", parsed.out_json); + mol_atom_group_list_free(ag_list); + exit(EXIT_FAILURE); + } + + INFO_MSG("Completed\n"); + return EXIT_SUCCESS; +} + + +static lbfgsfloatval_t energy_func( + void *restrict prm, + const double *restrict array, + double *restrict gradient, + const int array_size, + const lbfgsfloatval_t step) { + lbfgsfloatval_t energy = 0.0; + struct energy_prm *energy_prm = (struct energy_prm *) prm; + + if (array != NULL) { + assert(array_size == energy_prm->ag->active_atoms->size * 3); + mol_atom_group_set_actives(energy_prm->ag, array); + } + bool updated = check_clusterupdate(energy_prm->ag, energy_prm->ag_setup); + if (updated) { + if (energy_prm->ace_setup != NULL) { + ace_updatenblst(energy_prm->ag_setup, energy_prm->ace_setup); + } + } + + mol_zero_gradients(energy_prm->ag); + + if (energy_prm->ace_setup != NULL) { + aceeng(energy_prm->ag, &energy, energy_prm->ace_setup, energy_prm->ag_setup); + } + + if (energy_prm->vdw) { + vdweng(energy_prm->ag, &energy, energy_prm->ag_setup->nblst); + } + + if (energy_prm->vdw03) { + vdwengs03( + 1.0, + energy_prm->ag_setup->nblst->nbcof, + energy_prm->ag, &energy, + energy_prm->ag_setup->nf03, + energy_prm->ag_setup->listf03); + } + + if (energy_prm->bonds) { + beng(energy_prm->ag, &energy); + } + + if (energy_prm->angles) { + aeng(energy_prm->ag, &energy); + } + + if (energy_prm->dihedrals) { + teng(energy_prm->ag, &energy); + } + + if (energy_prm->impropers) { + ieng(energy_prm->ag, &energy); + } + + if (energy_prm->sprst_pairs != NULL) { + pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &energy); + } + + if (energy_prm->sprst_points != NULL) { + pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &energy); + } + + if (energy_prm->nmr != NULL) { + mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true); + mol_noe_calc_energy(energy_prm->nmr->spec, energy_prm->ag->gradients, energy_prm->nmr->weight, 1. / 6.); + energy += energy_prm->nmr->spec->energy; + } + + if (energy_prm->fit_prms != NULL) { + energy += mol_fitting_score_aglist(energy_prm->ag, + energy_prm->fit_prms->ag_list, + energy_prm->fit_prms->ag_count, + &energy_prm->fit_prms->prms, + energy_prm->fit_prms->weight); + } + + if (gradient != NULL) { + for (int i = 0; i < array_size / 3; i++) { + int atom_i = energy_prm->ag->active_atoms->members[i]; + gradient[3 * i] = -energy_prm->ag->gradients[atom_i].X; + gradient[3 * i + 1] = -energy_prm->ag->gradients[atom_i].Y; + gradient[3 * i + 2] = -energy_prm->ag->gradients[atom_i].Z; + } + } + + return energy; +} + diff --git a/src/parse_options.c b/src/parse_options.c new file mode 100644 index 0000000..d525a9b --- /dev/null +++ b/src/parse_options.c @@ -0,0 +1,342 @@ +#include + + +#include "parse_options.h" +#include "utils.h" + + +#define _FILL_PARAM(arg, value) do { \ + char* str_arg = #arg; \ + char* dash_pos = str_arg; \ + char* dot_pos; \ + if ((dot_pos = strchr(str_arg, '.')) != NULL) { \ + str_arg = dot_pos; \ + } \ + while ((dash_pos = strchr(dash_pos, '_')) != NULL) { \ + *dash_pos = '-'; \ + }; \ + if (strcmp(str_arg, long_options[option_index].name) == 0) { \ + arg = value; \ + } \ +} while (0) + + +static struct options _get_defaut_options() +{ + struct options prms = { + .out_pdb = "out.pdb", + .out_json = "out.json", + + .separate = false, + + .psf = NULL, + .prm = NULL, + .rtf = NULL, + .pdb = NULL, + .json = NULL, + + .rec_psf = NULL, + .rec_prm = NULL, + .rec_rtf = NULL, + .rec_pdb = NULL, + .rec_json = NULL, + + .lig_psf = NULL, + .lig_prm = NULL, + .lig_rtf = NULL, + .lig_pdb = NULL, + .lig_json = NULL, + + .fixed_pdb = NULL, + + .pair_springs_txt = NULL, + .point_springs_txt = NULL, + + .noe_txt = NULL, + .noe_json = NULL, + + .density_json = NULL, + + .setup_json = NULL, + + .nsteps = 1000, + + .bonds = 1, + .angles = 1, + .dihedrals = 1, + .impropers = 1, + .vdw = 1, + .vdw03 = 1, + .gbsa = 0, + + .verbose = 0, + .fix_receptor = 0, + .score_only = 0, + .help = 0 + }; + + return prms; +} + + +static int _check_prms(struct options prms) +{ + if (prms.json) { + prms.separate = false; + INFO_MSG("Using json %s", prms.json); + + } else if (prms.pdb && prms.psf && prms.prm && prms.rtf) { + prms.separate = false; + INFO_MSG("Using prm %s", prms.prm); + + } else if (prms.rec_pdb || prms.rec_psf || prms.rec_prm || prms.rec_rtf || prms.rec_json) { + prms.separate = true; + + if (prms.rec_json) { + INFO_MSG("Using json %s", prms.rec_json); + + } else if (prms.rec_pdb && prms.rec_psf && prms.rec_prm && prms.rec_rtf) { + INFO_MSG("Using prm %s", prms.rec_prm); + + } else { + ERR_MSG(""); + return 1; + } + + if (prms.lig_json) { + INFO_MSG("Using json %s", prms.lig_json); + + } else if (prms.lig_pdb && prms.lig_psf && prms.lig_prm && prms.lig_rtf) { + INFO_MSG("Using prm %s", prms.lig_prm); + + } else { + ERR_MSG(""); + return 1; + } + } else { + ERR_MSG(""); + return 1; + } + + if (prms.nsteps < 0) { + ERR_MSG("sdf"); + return 1; + } +} + + +struct options parse_args(const int argc, const char** argv) +{ + struct options prms = _get_defaut_options(); + + struct option long_options[] = + { + {"out-pdb", required_argument, 0, 0}, + {"out-json", required_argument, 0, 0}, + + {"psf", required_argument, 0, 0}, + {"prm", required_argument, 0, 0}, + {"rtf", required_argument, 0, 0}, + {"pdb", required_argument, 0, 0}, + {"json", required_argument, 0, 0}, + + {"rec-psf", required_argument, 0, 0}, + {"rec-prm", required_argument, 0, 0}, + {"rec-rtf", required_argument, 0, 0}, + {"rec-pdb", required_argument, 0, 0}, + {"rec-json", required_argument, 0, 0}, + + {"lig-psf", required_argument, 0, 0}, + {"lig-prm", required_argument, 0, 0}, + {"lig-rtf", required_argument, 0, 0}, + {"lig-pdb", required_argument, 0, 0}, + {"lig-json", required_argument, 0, 0}, + + {"fixed-pdb", required_argument, 0, 0}, + {"pair-springs-txt", required_argument, 0, 0}, + {"point-springs-txt", required_argument, 0, 0}, + {"noe-txt", required_argument, 0, 0}, + {"noe-json", required_argument, 0, 0}, + + {"density-json", required_argument, 0, 0}, + {"setup-json", required_argument, 0, 0}, + + {"nsteps", required_argument, 0, 0}, + + {"bonds-on", no_argument, &prms.bonds, 1}, + {"bonds-off", no_argument, &prms.bonds, 0}, + {"angles-on", no_argument, &prms.angles, 1}, + {"angles-off", no_argument, &prms.angles, 0}, + {"dihedrals-on", no_argument, &prms.dihedrals, 1}, + {"dihedrals-off", no_argument, &prms.dihedrals, 0}, + {"impropers-on", no_argument, &prms.impropers, 1}, + {"impropers-off", no_argument, &prms.impropers, 0}, + {"vdw-on", no_argument, &prms.vdw, 1}, + {"vdw-off", no_argument, &prms.vdw, 0}, + {"vdw03-on", no_argument, &prms.vdw03, 1}, + {"vdw03-off", no_argument, &prms.vdw03, 0}, + {"gbsa-on", no_argument, &prms.gbsa, 1}, + {"gbsa-off", no_argument, &prms.gbsa, 0}, + {"fix-receptor", no_argument, &prms.fix_receptor, 1}, + {"score-only", no_argument, &prms.score_only, 1}, + + {"verbose", no_argument, &prms.verbose, 1}, + {"help", no_argument, 0, 'h'}, + + {0, 0, 0, 0} + }; + + int option_index = 0; + int opt; + while (1) { + opt = getopt_long_only(argc, argv, "h", long_options, &option_index); + + if (opt == -1) { + break; + } + + switch (opt) { + case 0: + if (long_options[option_index].flag != 0) + break; + printf("Option %s", long_options[option_index].name); + if (optarg) + printf(" = %s", optarg); + printf("\n"); + break; + + case 'h': + usage_message(argv); + exit(EXIT_SUCCESS); + break; + + case '?': + usage_message(argv); + exit(EXIT_FAILURE); + break; + + default: + usage_message(argv); + exit(EXIT_FAILURE); + break; + } + + _FILL_PARAM(prms.out_pdb, optarg); + _FILL_PARAM(prms.out_json, optarg); + _FILL_PARAM(prms.psf, optarg); + _FILL_PARAM(prms.prm, optarg); + _FILL_PARAM(prms.rtf, optarg); + _FILL_PARAM(prms.pdb, optarg); + _FILL_PARAM(prms.json, optarg); + _FILL_PARAM(prms.rec_psf, optarg); + _FILL_PARAM(prms.rec_prm, optarg); + _FILL_PARAM(prms.rec_rtf, optarg); + _FILL_PARAM(prms.rec_pdb, optarg); + _FILL_PARAM(prms.rec_json, optarg); + _FILL_PARAM(prms.lig_psf, optarg); + _FILL_PARAM(prms.lig_prm, optarg); + _FILL_PARAM(prms.lig_rtf, optarg); + _FILL_PARAM(prms.lig_pdb, optarg); + _FILL_PARAM(prms.lig_json, optarg); + _FILL_PARAM(prms.fixed_pdb, optarg); + _FILL_PARAM(prms.pair_springs_txt, optarg); + _FILL_PARAM(prms.point_springs_txt, optarg); + _FILL_PARAM(prms.noe_txt, optarg); + _FILL_PARAM(prms.noe_json, optarg); + _FILL_PARAM(prms.density_json, optarg); + _FILL_PARAM(prms.setup_json, optarg); + + if (strcmp("nsteps", long_options[option_index].name) == 0) { + prms.nsteps = atoi(optarg); + } + } + + _check_prms(prms); + + return prms; +} + + +void usage_message(char **argv) { + printf("\nUsage %s [ options ]\n\n", argv[0]); + printf("\t--prm ------------------ Parameter file (required)\n" + "\t--rtf ------------------ Topology file (required)\n" + "\t--pdb ------------------ Full molecule pdb file (can contain multiple models)\n" + "\t--psf ------------------ Full molecule psf file\n" + "\t--json ----------------- Full molecule json file\n" + "\t--rec-pdb -------------- Receptor pdb file\n" + "\t--rec-psf -------------- Receptor psf file\n" + "\t--rec-json ------------- Receptor json file\n" + "\t--lig-pdb -------------- Ligand pdb file\n" + "\t--lig-psf -------------- Ligand psf file\n" + "\t--lig-json ------------- Ligand json file\n" + "\t--out ------------------ Minimized structure (default: min.pdb)\n" + "\t--protocol ------------- Protocol file\n" + "\t--torsions-off --------- Turns torsional forces off\n" + "\t--fitting-pdb ---------- PDB file for atomic density fitting\n" + "\t--fitting-weight ------- Weight of atomic density fit in energy function\n" + "\t--noe-params ----------- File with 2D NOE spectrum params\n" + "\t--pairsprings ---------- File with pairwise distance restraints\n" + "\t--pointsprings --------- File with point distance restraints\n" + "\t--score_only ----------- Don't run minimization, just score the models\n" + "\t--nsteps --------------- Number of minimization steps (default: 1000)\n" + "\t--gbsa ----------------- Turn GBSA on (default: off)\n" + "\t--json-log ------------- Log starting and final energy terms to specified json file\n" + "\t--help ----------------- This message\n\n" + + "Protocol file format:\n\n" + "\t> number_of_steps1 fixed_atoms_file1 pair_springs_file1 point_springs_file1\n" + "\t> number_of_steps2 fixed_atoms_file2 pair_springs_file2 point_springs_file2\n" + "\t> ...\n\n" + + "Pairwise springs file format:\n\n" + "\t> number_of_springs\n" + "\t> length absolute_error force_constant atom1_id(PDB) atom1_name atom2_id(PDB) atom2_name\n" + "\t> ...\n\n" + + "Point springs (attached to a single point) file format:\n\n" + "\t> number_of_springs\n" + "\t> number_of_atoms_attached force_constant X0 Y0 Z0\n" + "\t> atom1_id(from PDB) atom1_name\n" + "\t> atom2_id(from PDB) atom2_name\n" + "\t> ...\n\n" + + "NOE params file format (lines starting with # are skipped):\n" + "\tAtom group file path\n" + "\tExperimental matrix file path\n" + "\tFrequency (in GHz): ex. 0.00006\n" + "\tCorrelation time (in nanoseconds): ex. 0.1\n" + "\tMixing time (in seconds): ex. 0.3\n" + "\tDistance cutoff for atom groups (Angstroms): ex. 10\n" + "\tMask everything except for the peaks on experimental matrix, when computing NMR energy (on/off)\n" + "\tNMR energy weight in energy function\n\n" + + "\tNOE params file example:\n" + "\t> # groups file\n" + "\t> 104.fake_groups\n" + "\t> # experimental matrix\n" + "\t> 104.fake_mat\n" + "\t> # frequency\n" + "\t> 0.00006\n" + "\t> # cor time\n" + "\t> 0.1\n" + "\t> # mix time\n" + "\t> 0.3\n" + "\t> # distance cutoff\n" + "\t> 1000\n" + "\t> # mask\n" + "\t> off\n" + "\t> # nmr energy weight\n" + "\t> 100.0\n\n" + + "Fixed atoms file format: simply a slice of pdb containing fixed atoms\n\n" + + "If you wish to skip any of the files in the protocol file,\n" + "just replace it with a dot \".\". For instance if no fixed atoms\n" + "are needed then the line should be \n" + "\t1000 . spring_pairs spring_points\n\n" + + "WARNING: If ligand and receptor are specified separately,\n" + "\tthen ligand atom ids need to be increased by the number of receptor atoms.\n" + "\tConsistency is verified by comparing atom names.\n\n"); +} diff --git a/src/parse_options.h b/src/parse_options.h new file mode 100644 index 0000000..eb66661 --- /dev/null +++ b/src/parse_options.h @@ -0,0 +1,73 @@ +// +// Created by Mikhail Ignatov on 2020-05-02. +// + +#ifndef ENERGYMIN_PARSE_OPTIONS_H +#define ENERGYMIN_PARSE_OPTIONS_H + +#include +#include +#include +#include + + +struct options { + char* out_pdb; + char* out_json; + + bool separate; + + char* psf; + char* prm; + char* rtf; + char* pdb; + char* json; + + char* rec_psf; + char* rec_prm; + char* rec_rtf; + char* rec_pdb; + char* rec_json; + + char* lig_psf; + char* lig_prm; + char* lig_rtf; + char* lig_pdb; + char* lig_json; + + char* fixed_pdb; + + char* pair_springs_txt; + char* point_springs_txt; + + char* noe_txt; + char* noe_json; + + char* density_json; + + char* setup_json; + + int nsteps; + + int bonds; + int angles; + int dihedrals; + int impropers; + int vdw; + int vdw03; + int gbsa; + + int verbose; + int fix_receptor; + int score_only; + int help; +}; + + +struct options parse_args(const int argc, const char** argv); + + +void usage_message(char **argv); + + +#endif //ENERGYMIN_PARSE_OPTIONS_H diff --git a/src/potentials.c b/src/potentials.c new file mode 100644 index 0000000..f898346 --- /dev/null +++ b/src/potentials.c @@ -0,0 +1,955 @@ +#include "utils.h" +#include "potentials.h" +#include "parse_options.h" + +#include "mol2/json.h" +#include "mol2/icharmm.h" + + +#define READ_WORD(f, word, line) do { \ + word = NULL; \ + while (fgets(line, 512, f) != NULL) { \ + if (line[0] != '#') { \ + word = strtok(line, " \t\n"); \ + if (word == NULL || word[0] == '#') { \ + ERR_MSG("Line cannot be empty\n"); \ + } \ + break; \ + } \ + } \ +} while(0) + + +static struct mol_atom_group_list* _merge_ag_lists(struct mol_atom_group_list* ag1, struct mol_atom_group_list* ag2) { + if (ag1->size != ag2->size) { + ERR_MSG("Receptor and ligand have different numbers of models (%i, %i)", (int)ag1->size, (int)ag2->size); + return NULL; + } + + INFO_MSG("Using models assembled from receptor and ligand models provided separately\n"); + struct mol_atom_group_list *ag_list = mol_atom_group_list_create(ag1->size); + + for (size_t i = 0; i < ag_list->size; i++) { + struct mol_atom_group* _join = mol_atom_group_join(&ag1->members[i], &ag2->members[i]); + ag_list->members[i] = *_join; + free(_join); + } + + return ag_list; +} + + +/* + * Create mol_atom_group_list with geometry (if score_only == 1 can be without) + */ +static struct mol_atom_group_list *_read_ag_list( + char *prm, + char *rtf, + char *pdb, + char *psf, + char *json, + int score_only) { + + INFO_MSG("Started reading a new atom group\n"); + struct mol_atom_group_list* ag_list = NULL; + struct mol_atom_group* ag_json = NULL; + + if (json != NULL) { + INFO_MSG("Reading json file %s\n", json); + ag_json = mol_read_json(json); + } + + if (pdb != NULL) { + INFO_MSG("Reading %s\n", pdb); + INFO_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); + ag_list = mol_read_pdb_models(pdb); + + if (ag_list == NULL) { + INFO_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file\n", pdb); + struct mol_atom_group* ag = mol_read_pdb(pdb); + if (ag == NULL) { + ERR_MSG("Failed reading %s", pdb); + return NULL; + } + + ag_list = mol_atom_group_list_create(1); + ag_list->members[0] = *ag; + free(ag); + } + + if (ag_json != NULL) { + INFO_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); + // Copy geometry from json to aglist + struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); + + for (size_t i = 0; i < fin_aglist->size; i++) { + struct mol_atom_group* tmp_copy = mol_atom_group_copy(ag_json); + fin_aglist->members[i] = *tmp_copy; + free(tmp_copy); // Do I need this? + + if (fin_aglist->members[i].natoms != ag_list->members[i].natoms) { + ERR_MSG("Model %i in %s and %s have different atom numbers (%i, %i)", + (int) i, pdb, json, + (int) ag_list->members[i].natoms, + (int) fin_aglist->members[i].natoms); + } + memcpy(fin_aglist->members[i].coords, + ag_list->members[i].coords, + sizeof(struct mol_vector3) * ag_list->members[i].natoms); + } + mol_atom_group_list_free(ag_list); + mol_atom_group_free(ag_json); + ag_list = fin_aglist; + + } else if (psf != NULL) { + + INFO_MSG("Reading geometry from %s\n", psf); + for (size_t i = 0; i < ag_list->size; i++) { + mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf); + } + } else if (score_only != 0) { + + WRN_MSG("Geometry for the molecule is not provided, computing only non-parametric terms\n"); + } else { + + ERR_MSG("--json or --psf must be provided with --pdb"); + return NULL; + } + + } else if (ag_json != NULL) { + INFO_MSG("Using geometry and coordinates from %s\n", json); + ag_list = mol_atom_group_list_create(1); + ag_list->members[0] = *ag_json; + free(ag_json); + + } else { + ERR_MSG("Json or pdb file must be provided"); + return NULL; + } + + return ag_list; +} + + +struct mol_atom_group_list* mol_atom_group_list_from_options(struct options prms) +{ + struct mol_atom_group_list* ag_list; + + if (prms.separate) { + struct mol_atom_group_list* rec_list = _read_ag_list( + prms.rec_prm, + prms.rec_rtf, + prms.rec_pdb, + prms.rec_psf, + prms.rec_json, + prms.score_only); + struct mol_atom_group_list* lig_list = _read_ag_list( + prms.lig_prm, + prms.lig_rtf, + prms.lig_pdb, + prms.lig_psf, + prms.lig_json, + prms.score_only); + + if (!rec_list || !lig_list) { + if (rec_list) { + mol_atom_group_list_free(rec_list); + } + if (lig_list) { + mol_atom_group_list_free(lig_list); + } + return NULL; + } + + ag_list = _merge_ag_lists(rec_list, lig_list); + + } else { + ag_list = _read_ag_list( + prms.prm, + prms.rtf, + prms.pdb, + prms.psf, + prms.json, + prms.score_only); + } + return ag_list; +} + + +static json_t* _load_file(char* file) +{ + json_error_t* error; + json_t* root = json_load_file(file, 0, error); + if (root == NULL) { + ERR_MSG("%s", error); + return NULL; + } + return root; +} + + + +void fixed_setup_free(struct fixed_setup** fixed) +{ + if ((*fixed)->atoms) { + free((*fixed)->atoms); + } + free(*fixed); + *fixed = NULL; +} + + +struct fixed_setup* fixed_setup_read_txt(char *file) { + FILE *fp; + if (!(fp = fopen(file, "r"))) { + ERR_MSG("jhkjh"); + return NULL; + } + + size_t nfix = 0; + + int linesz = 91; + char *buffer = calloc(linesz, sizeof(char)); + + while (fgets(buffer, linesz - 1, fp) != NULL) { + if (!strncmp(buffer, "ATOM", 4)) nfix++; + } + + rewind(fp); + size_t* fix = calloc(nfix, sizeof(size_t)); + size_t na = 0; + + while (fgets(buffer, linesz - 1, fp) != NULL) { + if (!strncmp(buffer, "ATOM", 4)) { + fix[na] = atoi(buffer + 4) - 1; + na++; + } + } + + free(buffer); + fclose(fp); + + struct fixed_setup* result = calloc(1, sizeof(struct fixed_setup)); + result->atoms = calloc(nfix, sizeof(size_t)); + result->natoms = nfix; + + return result; +} + + +struct fixed_setup* fixed_setup_read_json(json_t* root) +{ + if (!json_is_array(root)) { + ERR_MSG("Must be array"); + return NULL; + } + + struct fixed_setup* result = calloc(1, sizeof(struct fixed_setup)); + result->natoms = json_array_size(root); + result->atoms = calloc(result->natoms, sizeof(size_t)); + + size_t counter; + json_t* atom_id; + json_array_foreach(root, counter, atom_id) { + if (!json_is_integer(atom_id)) { + fixed_setup_free(result); + json_decref(atom_id); + return NULL; + } + result->atoms[counter] = json_integer_value(atom_id); + } + + return result; +} + + +void pairsprings_setup_free(struct pairsprings_setup **sprst) { + if (*sprst != NULL) { + free((*sprst)->springs); + free(*sprst); + *sprst = NULL; + } +} + + +struct pairsprings_setup *pairsprings_setup_read_txt(char *sfile) { + FILE *fp; + if (!(fp = fopen(sfile, "r"))) { + ERR_MSG("jhkjh"); + return NULL; + } + + struct pairsprings_setup *sprst; + sprst = calloc(1, sizeof(struct pairsprings_setup)); + + int c; + if (fscanf(fp, "%i", &sprst->nsprings) != 1) { + ERR_MSG("Wrong spring file format\n"); + free(sprst); + fclose(fp); + return NULL; + } + + sprst->springs = calloc(sprst->nsprings, sizeof(struct pairspring)); + struct pairspring *sprs = sprst->springs; + + int id = 0; + char name1[8], name2[8]; + int aid1, aid2; + while (id < sprst->nsprings) { + c = fscanf(fp, + "%lf %lf %lf %i %s %i %s", + &sprs[id].lnspr, + &sprs[id].erspr, + &sprs[id].fkspr, + &aid1, + name1, + &aid2, + name2); + + if (c != 7) { + ERR_MSG("Wrong spring file format\n"); + free(sprst->springs); + free(sprst); + fclose(fp); + return NULL; + } + + sprs[id].laspr[0] = aid1 - 1; + sprs[id].laspr[1] = aid2 - 1; + + id++; + } + + fclose(fp); + return sprst; +} + + +struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { + if (!json_is_array(root)) { + ERR_MSG("sdf"); + return NULL; + } + + size_t nsprings = json_array_size(root); + struct pairspring* spring_set = calloc(nsprings, sizeof(struct pairspring)); + + bool error = false; + size_t counter; + json_t* spring; + + json_array_foreach(root, counter, spring) { + double dv; + size_t iv; + + json_t* value = json_object_get(spring, "length"); + if (!value || !(dv = json_number_value(value))) { + ERR_MSG("sf"); + error = true; + break; + } + spring_set[counter].lnspr = dv; + + value = json_object_get(spring, "error"); + if (!value || !(dv = json_number_value(value))) { + ERR_MSG("sf"); + error = true; + break; + } + spring_set[counter].erspr= dv; + + value = json_object_get(spring, "weight"); + if (!value || !(dv = json_number_value(value))) { + ERR_MSG("sf"); + error = true; + break; + } + spring_set[counter].fkspr = dv; + + value = json_object_get(spring, "atom1"); + if (!value || !(iv = json_integer_value(value))) { + ERR_MSG("sf"); + error = true; + break; + } + spring_set[counter].laspr[0] = iv - 1; + + value = json_object_get(spring, "atom2"); + if (!value || !(iv = json_integer_value(value))) { + ERR_MSG("sf"); + error = true; + break; + } + spring_set[counter].laspr[1] = iv - 1; + } + + if (error) { + free(spring_set); + return NULL; + } + + struct pairsprings_setup *sprst; + sprst = calloc(1, sizeof(struct pairsprings_setup)); + sprst->springs = spring_set; + sprst->nsprings = nsprings; + + return sprst; +} + + +void pointsprings_setup_free(struct pointsprings_setup **sprst) { + if (*sprst != NULL) { + for (int i = 0; i < (*sprst)->nsprings; i++) { + if ((*sprst)->springs[i].laspr != NULL) { + free((*sprst)->springs[i].laspr); + } + } + free((*sprst)->springs); + free(*sprst); + *sprst = NULL; + } +} + + +struct pointsprings_setup *pointsprings_setup_read_txt(char *sfile) { + FILE *fp; + if (!(fp = fopen(sfile, "r"))) { + ERR_MSG("jhkjh"); + return NULL; + } + + struct pointsprings_setup *sprst; + sprst = calloc(1, sizeof(struct pointsprings_setup)); + + int c; + if (fscanf(fp, "%i", &sprst->nsprings) != 1) { + ERR_MSG("Wrong spring file format\n"); + free(sprst); + fclose(fp); + return NULL; + } + + sprst->springs = calloc(sprst->nsprings, sizeof(struct pointspring)); + struct pointspring *sprs = sprst->springs; + + int id = 0; + char name[8]; + int aid, naspr; + double fkspr, X0, Y0, Z0; + + while (id < sprst->nsprings) { + c = fscanf(fp, "%i %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); + if (c != 5) { + ERR_MSG("Wrong spring file format\n"); + fclose(fp); + pointsprings_setup_free(&sprst); + return NULL; + } + + sprs[id].naspr = naspr; + sprs[id].fkspr = fkspr; + sprs[id].X0 = X0; + sprs[id].Y0 = Y0; + sprs[id].Z0 = Z0; + sprs[id].laspr = calloc(naspr, sizeof(int)); + + for (int i = 0; i < naspr; i++) { + c = fscanf(fp, "%i %s", &aid, name); + + if (c != 2) { + ERR_MSG("Wrong spring file format\n"); + fclose(fp); + pointsprings_setup_free(&sprst); + return NULL; + } + + sprs[id].laspr[i] = aid - 1; + } + + id++; + } + + fclose(fp); + return sprst; +} + + +/*struct density_setup *density_setup_create(char *fitting_pdblist, double weight, double radius) { + struct density_setup *fit_prms = calloc(1, sizeof(struct density_setup)); + + FILE *f = _fopen_err(fitting_pdblist, "r"); + char pdb_file[512]; + struct mol_atom_group **aglist = calloc(1, sizeof(struct mol_atom_group *)); + int ag_count = 0; + int cur_size = 1; + while (fgets(pdb_file, 512, f) != NULL) { + // Remove new line character + for (int i = 0; i < 512; i++) { + if (pdb_file[i] == '\n') { + pdb_file[i] = '\0'; + break; + } + } + + struct mol_atom_group *ag = mol_read_pdb(pdb_file); + ag_count++; + + if (ag_count > cur_size) { + cur_size *= 2; + aglist = realloc(aglist, cur_size * sizeof(struct mol_atom_group *)); + } + + aglist[ag_count - 1] = ag; + } + + fit_prms->ag_list = aglist; + fit_prms->ag_count = ag_count; + fit_prms->prms.radius = radius; + fit_prms->weight = weight; + return fit_prms; +} + + +void density_setup_free(struct density_setup **prms) { + if (prms != NULL) { + for (int i = 0; i < prms->ag_count; i++) { + mol_atom_group_free(prms->ag_list[i]); + } + free(prms->ag_list); + free(prms); + } +}*/ + + +void noe_setup_free(struct noe_setup **nmr) { + if (*nmr != NULL) { + mol_noe_free((*nmr)->spec); + } + free(*nmr); + *nmr = NULL; +} + + +struct noe_setup *noe_setup_read_txt(char *sfile) { + char line[512]; + FILE *f; + if (!(f = fopen(sfile, "r"))) { + ERR_MSG("jhkjh"); + return NULL; + } + + struct noe_setup *nmr = calloc(1, sizeof(struct noe_setup)); + + char *word; + READ_WORD(f, word, line); + char groups_path[512]; + strcpy(groups_path, word); + + READ_WORD(f, word, line); + char matrix_path[512]; + strcpy(matrix_path, word); + + READ_WORD(f, word, line); + double freq = atof(word); + + READ_WORD(f, word, line); + double corr_time = atof(word); + + READ_WORD(f, word, line); + double mix_time = atof(word); + + READ_WORD(f, word, line); + double dist_cutoff = atof(word); + + READ_WORD(f, word, line); + bool mask_on = false; + if (strcmp(word, "on\0") == 0) { + mask_on = true; + } else if (strcmp(word, "off\0") != 0) { + ERR_MSG("Wrong value (on/off)"); + } + + READ_WORD(f, word, line); + double weight = atof(word); + + fclose(f); + + struct mol_noe_group_list *groups = mol_noe_group_list_read_txt(groups_path); + nmr->spec = mol_noe_create(groups, freq, corr_time, mix_time, dist_cutoff); + mol_noe_alloc_grad(nmr->spec); + + int *mask = NULL; + if (mask_on) { + mask = calloc(groups->ngroups * groups->ngroups, sizeof(int)); + } + nmr->spec->exp = mol_noe_matrix_read_txt_stacked(matrix_path, groups->ngroups, mask); + nmr->weight = weight; + + return nmr; +} + + +struct noe_setup *noe_setup_read_json(json_t* root) { + struct mol_noe* noe = mol_noe_from_json_object(root); + if (!noe) { + return NULL; + } + + json_t* w = json_object_get(root, "weight"); + if (!w || !json_is_number(w)) { + mol_noe_free(noe); + return NULL; + } + + struct noe_setup* result = calloc(1, sizeof(struct noe_setup)); + result->weight = json_number_value(w); + result->spec = noe; + + return result; +} + + +struct noe_setup *noe_setup_read_json_file(char* file) { + json_t* root = _load_file(file); + if (!root) { + return NULL; + } + return noe_setup_read_json_file(root); +} + + +void energy_prm_free(struct energy_prm** prm, size_t nstages) +{ + for (size_t i = 0; i < nstages; i++) { + pairsprings_setup_free(&((*prm)->sprst_pairs)); + pointsprings_setup_free(&((*prm)->sprst_points)); + //density_setup_free(&((*prm)->fit_prms)); + noe_setup_free(&((*prm)->nmr)); + fixed_setup_free(&((*prm)->fixed)); + } + + free(*prm); + *prm = NULL; +} + + +static bool _get_bool_field(bool* result, json_t* root, char* field) +{ + json_t* val = json_object_get(root, field); + if (val) { + if (!json_is_boolean(val)) { + json_decref(val); + return false; + } + } + *result = json_boolean_value(val); + return true; +} + + +bool energy_prm_read( + struct energy_prm** result_energy_prm, + size_t* result_nstages, + struct options prms, + struct mol_atom_group_list* ag_list) +{ + struct energy_prm* all_stage_prms = calloc(1, sizeof(struct energy_prm)); + size_t nstages = 1; + + *result_energy_prm = NULL; + *result_nstages = 0; + + all_stage_prms->ag = NULL; + all_stage_prms->ag_setup = NULL; + all_stage_prms->ace_setup = NULL; + all_stage_prms->sprst_pairs = NULL; + all_stage_prms->sprst_points = NULL; + all_stage_prms->nmr = NULL; + all_stage_prms->fit_prms = NULL; + all_stage_prms->fixed = NULL; + + all_stage_prms->nsteps = prms.nsteps; + + all_stage_prms->bonds = prms.bonds; + all_stage_prms->angles = prms.angles; + all_stage_prms->dihedrals = prms.dihedrals; + all_stage_prms->impropers = prms.impropers; + all_stage_prms->vdw = prms.vdw; + all_stage_prms->vdw03 = prms.vdw03; + all_stage_prms->gbsa = prms.gbsa; + + all_stage_prms->score_only = prms.score_only; + + // setup default fixed + if (prms.fixed_pdb) { + all_stage_prms->fixed = fixed_setup_read_txt(prms.fixed_pdb); + + if (!all_stage_prms->fixed) { + ERR_MSG("SDF"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + } + + if (prms.fix_receptor) { + if (all_stage_prms->fixed) { + ERR_MSG("Cannot use"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + + all_stage_prms->fixed = calloc(1, sizeof(struct fixed_setup)); + all_stage_prms->fixed->natoms = ag_list->members[0].natoms; + all_stage_prms->fixed->atoms = calloc(all_stage_prms->fixed->natoms, sizeof(size_t)); + } + + if (prms.pair_springs_txt) { + all_stage_prms->sprst_pairs = pairsprings_setup_read_txt(prms.pair_springs_txt); + + if (!all_stage_prms->sprst_pairs) { + ERR_MSG("SDF"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + } + + if (prms.point_springs_txt) { + all_stage_prms->sprst_points = pointsprings_setup_read_txt(prms.point_springs_txt); + + if (!all_stage_prms->sprst_points) { + ERR_MSG("SDF"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + } + + if (prms.noe_json) { + all_stage_prms->nmr = noe_setup_read_json_file(prms.noe_json); + + if (!all_stage_prms->nmr) { + ERR_MSG("SDF"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + } + + if (prms.noe_txt) { + if (all_stage_prms->nmr) { + ERR_MSG("Cannot use"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + + all_stage_prms->nmr = noe_setup_read_txt(prms.noe_txt); + + if (!all_stage_prms->nmr) { + ERR_MSG("SDF"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + } + + /* + if (prms.density_json) { + all_stage_prms->fit_prms = density_setup_read_json_file(prms.density_json); + + if (!all_stage_prms->fit_prms) { + ERR_MSG("SDF"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + }*/ + + // read json + if (prms.setup_json) { + json_t* setup = _load_file(prms.setup_json); + size_t stage_id; + bool error = false; + + if (!setup) { + ERR_MSG("sd"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + + if (!json_is_array(setup)) { + ERR_MSG("sd"); + json_decref(setup); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + + nstages = json_array_size(setup); + + // copy default params to each stage + struct energy_prm* buffer = calloc(nstages, sizeof(struct energy_prm)); + for (size_t i = 0; i < nstages; i++) { + memcpy(buffer + i, all_stage_prms, sizeof(struct energy_prm)); + } + free(all_stage_prms); + all_stage_prms = buffer; + + json_t* stage_desc; + + json_array_foreach(setup, stage_id, stage_desc) { + struct energy_prm* stage_prms = &all_stage_prms[stage_id]; + + json_t* stage_nsteps = json_object_get(stage_desc, "nsteps"); + if (!stage_nsteps || !json_is_integer(stage_nsteps)) { + ERR_MSG("Must contain nsteps"); + error = true; + break; + } + stage_prms->nsteps = json_integer_value(stage_nsteps); + + json_t* stage_fixed = json_object_get(stage_desc, "fixed"); + if (stage_fixed) { + stage_prms->fixed = fixed_setup_read_json(stage_fixed); + json_decref(stage_fixed); + if (!stage_prms->fixed) { + error = true; + break; + } + } + + json_t* stage_pairsprings = json_object_get(stage_desc, "pairsprings"); + if (stage_pairsprings) { + stage_prms->sprst_pairs = pairsprings_setup_read_json(stage_pairsprings); + json_decref(stage_pairsprings); + if (!stage_prms->sprst_pairs) { + error = true; + break; + } + } + + /*json_t* stage_pointsprings = json_object_get(stage_desc, "pointsprings"); + if (stage_pointsprings) { + stage_prms->sprst_points = pointsprings_setup_read_json(stage_pointsprings); + json_decref(stage_pointsprings); + if (!stage_prms->sprst_points) { + error = true; + break; + } + } + + json_t* stage_density = json_object_get(stage_desc, "density"); + if (stage_density) { + stage_prms->fit_prms = density_setup_read_json(stage_density); + json_decref(stage_density); + if (!stage_prms->fit_prms) { + error = true; + break; + } + }*/ + + json_t* stage_noe = json_object_get(stage_desc, "noe"); + if (stage_noe) { + stage_prms->nmr = noe_setup_read_json(stage_noe); + json_decref(stage_noe); + if (!stage_prms->nmr) { + error = true; + break; + } + } + + if ((error = !_get_bool_field(&stage_prms->bonds, stage_desc, "bonds"))) { break; } + if ((error = !_get_bool_field(&stage_prms->angles, stage_desc, "angles"))) { break; } + if ((error = !_get_bool_field(&stage_prms->dihedrals, stage_desc, "dihedrals"))) { break; } + if ((error = !_get_bool_field(&stage_prms->impropers, stage_desc, "impropers"))) { break; } + if ((error = !_get_bool_field(&stage_prms->vdw, stage_desc, "vdw"))) { break; } + if ((error = !_get_bool_field(&stage_prms->vdw03, stage_desc, "vdw03"))) { break; } + if ((error = !_get_bool_field(&stage_prms->gbsa, stage_desc, "gbsa"))) { break; } + } + + if (!error) { + json_decref(setup); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + } + + *result_energy_prm = all_stage_prms; + *result_nstages = nstages; + + return true; +} + + +void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een) { + int i, i1, i2, nat; + double xtot, ytot, ztot, fk; + struct mol_vector3 g; + + for (i = 0; i < sprst->nsprings; i++) { + nat = sprst->springs[i].naspr; + + if (nat > 0) { + xtot = 0.0; + ytot = 0.0; + ztot = 0.0; + + for (i1 = 0; i1 < nat; i1++) { + i2 = sprst->springs[i].laspr[i1]; + xtot += ag->coords[i2].X; + ytot += ag->coords[i2].Y; + ztot += ag->coords[i2].Z; + } + + xtot = xtot / nat - sprst->springs[i].X0; + ytot = ytot / nat - sprst->springs[i].Y0; + ztot = ztot / nat - sprst->springs[i].Z0; + + fk = sprst->springs[i].fkspr; + (*een) += fk * (xtot * xtot + ytot * ytot + ztot * ztot); + + fk = 2 * fk / nat; + g.X = xtot * fk; + g.Y = ytot * fk; + g.Z = ztot * fk; + + for (i1 = 0; i1 < nat; i1++) { + i2 = sprst->springs[i].laspr[i1]; + MOL_VEC_SUB(ag->gradients[i2], ag->gradients[i2], g); + } + } + } +} + + +void pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group* ag, double *een) { + int i, i1, i2; + double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; + struct mol_vector3 g; + + for (i = 0; i < sprst->nsprings; i++) { + ln = sprst->springs[i].lnspr; + er = sprst->springs[i].erspr; + fk = sprst->springs[i].fkspr / 2.0; + + i1 = sprst->springs[i].laspr[0]; + i2 = sprst->springs[i].laspr[1]; + + xtot = ag->coords[i2].X - ag->coords[i1].X; + ytot = ag->coords[i2].Y - ag->coords[i1].Y; + ztot = ag->coords[i2].Z - ag->coords[i1].Z; + + d2 = xtot * xtot + ytot * ytot + ztot * ztot; + d = sqrt(d2); + + delta = fabs(d - ln); + delta = (delta > er) ? ((delta - er) * delta / (d - ln)) : 0.0; + + //(*een) += fk * (d - ln) * (d - ln); + (*een) += fk * delta * delta; + //coef = fk * 2 * (1.0 - ln / d); + coef = fk * 2.0 * delta / d; + + g.X = -coef * xtot; + g.Y = -coef * ytot; + g.Z = -coef * ztot; + + MOL_VEC_SUB(ag->gradients[i1], ag->gradients[i1], g); + MOL_VEC_ADD(ag->gradients[i2], ag->gradients[i2], g); + } +} \ No newline at end of file diff --git a/src/potentials.h b/src/potentials.h new file mode 100644 index 0000000..b995c49 --- /dev/null +++ b/src/potentials.h @@ -0,0 +1,101 @@ +#ifndef ENERGYMIN_POTENTIALS_H +#define ENERGYMIN_POTENTIALS_H + +#include +#include +#include +#include +#include + +#include "mol2/json.h" +#include "mol2/benergy.h" +#include "mol2/gbsa.h" +#include "mol2/icharmm.h" +#include "mol2/minimize.h" +#include "mol2/nbenergy.h" +#include "mol2/pdb.h" +#include "mol2/fitting.h" +#include "mol2/noe.h" + +#include "parse_options.h" + +struct energy_prm { + struct mol_atom_group *ag; + struct agsetup *ag_setup; + struct acesetup *ace_setup; + struct pairsprings_setup *sprst_pairs; + struct pointsprings_setup *sprst_points; + struct noe_setup *nmr; + struct density_setup *fit_prms; + struct fixed_setup *fixed; + + int nsteps; + bool bonds; + bool angles; + bool dihedrals; + bool impropers; + bool vdw; + bool vdw03; + bool gbsa; + + bool score_only; +}; + +struct noe_setup { + double weight; + struct mol_noe *spec; +}; + +struct density_setup { + double weight; + size_t ag_count; + struct mol_atom_group **ag_list; + struct mol_fitting_params prms; +}; + +struct pairspring { + size_t laspr[2]; /**< list of atoms */ + double lnspr; + double erspr; + double fkspr; /**< force constant */ +}; + +struct pointspring { + size_t naspr; /**< number of affected atoms */ + size_t *laspr; /**< list of atoms */ + double fkspr; /**< force constant */ + double X0, Y0, Z0; /**< anchor point */ +}; + +struct pairsprings_setup { + size_t nsprings; /**< number of springs */ + struct pairspring *springs; /**< array of springs */ +}; + +struct pointsprings_setup { + size_t nsprings; /**< number of springs */ + struct pointspring *springs; /**< array of springs */ +}; + +struct fixed_setup { + size_t natoms; + size_t *atoms; +}; + + +bool energy_prm_read( + struct energy_prm** result_energy_prm, + size_t* result_nstages, + struct options prms, + struct mol_atom_group_list* ag_list); + +void energy_prm_free(struct energy_prm** prm, size_t nstages); + +struct mol_atom_group_list* mol_atom_group_list_from_options(struct options prms); + +void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een); + +void pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group* ag, double *een); + + +#endif //ENERGYMIN_POTENTIALS_H \ No newline at end of file diff --git a/src/utils.h b/src/utils.h new file mode 100644 index 0000000..9fbfcba --- /dev/null +++ b/src/utils.h @@ -0,0 +1,28 @@ +#ifndef ENERGYMIN_UTILS_H +#define ENERGYMIN_UTILS_H + +#include + +#define ERR_MSG(fmt, ...) do { \ + fprintf(stderr,"[Error] (file %s, %s, line %i):\n" fmt "\n" \ + "Exiting ...\n", __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ + exit(EXIT_FAILURE); \ +} while(0) + +#define WRN_MSG(fmt, ...) do { \ + fprintf(stderr,"[Warning] (file %s, %s, line %i):\n" fmt "\n", \ + __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ +} while(0) + +#define INFO_MSG(fmt, ...) do { \ + fprintf(stderr,"[Info]: " fmt, ##__VA_ARGS__); \ +} while(0) + +#define FOPEN(handle, file, mode) do { \ + handle = fopen(file, mode); \ + if (handle == NULL) { \ + ERR_MSG("Can't open %s", file); \ + } \ +} while (0); + +#endif //ENERGYMIN_UTILS_H From 7f3d5ab7caf04803914ba0f4406d3f59420e8d75 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Tue, 5 May 2020 11:21:25 -0400 Subject: [PATCH 02/31] More updates --- src/minimize.c | 18 +++--- src/parse_options.c | 35 +++++++---- src/parse_options.h | 5 +- src/potentials.c | 145 +++++++++++++++++++++++++++++++++----------- src/utils.h | 10 +-- 5 files changed, 150 insertions(+), 63 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index ec35bcb..c5e19e7 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -21,7 +21,12 @@ static lbfgsfloatval_t energy_func( int main(int argc, char **argv) { mol_enable_floating_point_exceptions(); - struct options parsed = parse_args(argc, argv); + bool parse_error; + struct options parsed = parse_args(argc, argv, &parse_error); + if (parse_error) { + ERR_MSG("Parse error"); + exit(EXIT_FAILURE); + } struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(parsed); if (!ag_list) { @@ -38,8 +43,9 @@ int main(int argc, char **argv) { } INFO_MSG("Started the main loop\n"); - FILE* out_pdb = fopen(parsed.out_pdb, "w"); - if (!out_pdb) { + + FILE* out_pdb; + FOPEN_ELSE(out_pdb, parsed.out_pdb, "w") { ERR_MSG("Can't open %s", parsed.out_pdb); mol_atom_group_list_free(ag_list); exit(EXIT_FAILURE); @@ -49,15 +55,13 @@ int main(int argc, char **argv) { INFO_MSG("Started model %i\n", modeli); if (ag_list->size > 1) { - if (out_pdb != NULL) { - fprintf(out_pdb, "MODEL %i\n", (modeli + 1)); - } + fprintf(out_pdb, "MODEL %i\n", (modeli + 1)); } struct mol_atom_group *ag = &ag_list->members[modeli]; ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); - for (size_t stage_id; stage_id < nstages; stage_id++) { + for (size_t stage_id = 0; stage_id < nstages; stage_id++) { struct energy_prm *stage_prms = &min_prms[stage_id]; stage_prms->ag = ag; diff --git a/src/parse_options.c b/src/parse_options.c index d525a9b..57196d4 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -6,16 +6,16 @@ #define _FILL_PARAM(arg, value) do { \ - char* str_arg = #arg; \ - char* dash_pos = str_arg; \ + char str_arg[] = #arg; \ char* dot_pos; \ if ((dot_pos = strchr(str_arg, '.')) != NULL) { \ - str_arg = dot_pos; \ + dot_pos = dot_pos + 1; \ } \ + char* dash_pos = dot_pos; \ while ((dash_pos = strchr(dash_pos, '_')) != NULL) { \ - *dash_pos = '-'; \ - }; \ - if (strcmp(str_arg, long_options[option_index].name) == 0) { \ + *dash_pos = '-'; \ + }; \ + if (strcmp(dot_pos, long_options[option_index].name) == 0) { \ arg = value; \ } \ } while (0) @@ -99,7 +99,7 @@ static int _check_prms(struct options prms) INFO_MSG("Using prm %s", prms.rec_prm); } else { - ERR_MSG(""); + ERR_MSG("kjhlkjh"); return 1; } @@ -110,11 +110,11 @@ static int _check_prms(struct options prms) INFO_MSG("Using prm %s", prms.lig_prm); } else { - ERR_MSG(""); + ERR_MSG("sgsg"); return 1; } } else { - ERR_MSG(""); + ERR_MSG("kljh"); return 1; } @@ -122,10 +122,12 @@ static int _check_prms(struct options prms) ERR_MSG("sdf"); return 1; } + + return 0; } -struct options parse_args(const int argc, const char** argv) +struct options parse_args(const int argc, const char** argv, bool *error) { struct options prms = _get_defaut_options(); @@ -153,8 +155,10 @@ struct options parse_args(const int argc, const char** argv) {"lig-json", required_argument, 0, 0}, {"fixed-pdb", required_argument, 0, 0}, + {"pair-springs-txt", required_argument, 0, 0}, {"point-springs-txt", required_argument, 0, 0}, + {"noe-txt", required_argument, 0, 0}, {"noe-json", required_argument, 0, 0}, @@ -177,9 +181,9 @@ struct options parse_args(const int argc, const char** argv) {"vdw03-off", no_argument, &prms.vdw03, 0}, {"gbsa-on", no_argument, &prms.gbsa, 1}, {"gbsa-off", no_argument, &prms.gbsa, 0}, + {"fix-receptor", no_argument, &prms.fix_receptor, 1}, {"score-only", no_argument, &prms.score_only, 1}, - {"verbose", no_argument, &prms.verbose, 1}, {"help", no_argument, 0, 'h'}, @@ -207,16 +211,19 @@ struct options parse_args(const int argc, const char** argv) case 'h': usage_message(argv); + printf("ASDF"); exit(EXIT_SUCCESS); break; case '?': usage_message(argv); + printf("ASDF"); exit(EXIT_FAILURE); break; default: usage_message(argv); + printf("ASDF"); exit(EXIT_FAILURE); break; } @@ -251,13 +258,15 @@ struct options parse_args(const int argc, const char** argv) } } - _check_prms(prms); + if (_check_prms(prms) != 0) { + *error = true; + } return prms; } -void usage_message(char **argv) { +void usage_message(const char **argv) { printf("\nUsage %s [ options ]\n\n", argv[0]); printf("\t--prm ------------------ Parameter file (required)\n" "\t--rtf ------------------ Topology file (required)\n" diff --git a/src/parse_options.h b/src/parse_options.h index eb66661..680b42a 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -64,10 +64,9 @@ struct options { }; -struct options parse_args(const int argc, const char** argv); +struct options parse_args(const int argc, const char** argv, bool *error); - -void usage_message(char **argv); +void usage_message(const char **argv); #endif //ENERGYMIN_PARSE_OPTIONS_H diff --git a/src/potentials.c b/src/potentials.c index f898346..de7268d 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -176,12 +176,12 @@ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options prms } -static json_t* _load_file(char* file) +static json_t* _read_json_file(char *path) { - json_error_t* error; - json_t* root = json_load_file(file, 0, error); + json_error_t error; + json_t* root = json_load_file(path, 0, &error); if (root == NULL) { - ERR_MSG("%s", error); + ERR_MSG("Can't load file %s", path); return NULL; } return root; @@ -200,9 +200,8 @@ void fixed_setup_free(struct fixed_setup** fixed) struct fixed_setup* fixed_setup_read_txt(char *file) { - FILE *fp; - if (!(fp = fopen(file, "r"))) { - ERR_MSG("jhkjh"); + FILE* fp; + FOPEN_ELSE(fp, file, "r") { return NULL; } @@ -252,7 +251,7 @@ struct fixed_setup* fixed_setup_read_json(json_t* root) json_t* atom_id; json_array_foreach(root, counter, atom_id) { if (!json_is_integer(atom_id)) { - fixed_setup_free(result); + fixed_setup_free(&result); json_decref(atom_id); return NULL; } @@ -272,10 +271,9 @@ void pairsprings_setup_free(struct pairsprings_setup **sprst) { } -struct pairsprings_setup *pairsprings_setup_read_txt(char *sfile) { +struct pairsprings_setup *pairsprings_setup_read_txt(char *path) { FILE *fp; - if (!(fp = fopen(sfile, "r"))) { - ERR_MSG("jhkjh"); + FOPEN_ELSE(fp, path, "r") { return NULL; } @@ -283,7 +281,7 @@ struct pairsprings_setup *pairsprings_setup_read_txt(char *sfile) { sprst = calloc(1, sizeof(struct pairsprings_setup)); int c; - if (fscanf(fp, "%i", &sprst->nsprings) != 1) { + if (fscanf(fp, "%zu", &sprst->nsprings) != 1) { ERR_MSG("Wrong spring file format\n"); free(sprst); fclose(fp); @@ -328,7 +326,7 @@ struct pairsprings_setup *pairsprings_setup_read_txt(char *sfile) { struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { if (!json_is_array(root)) { - ERR_MSG("sdf"); + ERR_MSG("Pairsprings must be an array"); return NULL; } @@ -340,7 +338,22 @@ struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { json_t* spring; json_array_foreach(root, counter, spring) { - double dv; + int result = json_unpack( + spring, + "{s:f, s:f, s:f, s:i, s:i}", + "length", &spring_set[counter].lnspr, + "error", &spring_set[counter].erspr, + "weight", &spring_set[counter].fkspr, + "atom1", &spring_set[counter].laspr[0], + "atom2", &spring_set[counter].laspr[1]); + + if (result != 0) { + ERR_MSG("Wrong pairspring format"); + error = true; + break; + } + + /*double dv; size_t iv; json_t* value = json_object_get(spring, "length"); @@ -381,7 +394,7 @@ struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { error = true; break; } - spring_set[counter].laspr[1] = iv - 1; + spring_set[counter].laspr[1] = iv - 1;*/ } if (error) { @@ -412,10 +425,9 @@ void pointsprings_setup_free(struct pointsprings_setup **sprst) { } -struct pointsprings_setup *pointsprings_setup_read_txt(char *sfile) { +struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { FILE *fp; - if (!(fp = fopen(sfile, "r"))) { - ERR_MSG("jhkjh"); + FOPEN_ELSE(fp, path, "r") { return NULL; } @@ -423,7 +435,7 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *sfile) { sprst = calloc(1, sizeof(struct pointsprings_setup)); int c; - if (fscanf(fp, "%i", &sprst->nsprings) != 1) { + if (fscanf(fp, "%zu", &sprst->nsprings) != 1) { ERR_MSG("Wrong spring file format\n"); free(sprst); fclose(fp); @@ -433,12 +445,11 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *sfile) { sprst->springs = calloc(sprst->nsprings, sizeof(struct pointspring)); struct pointspring *sprs = sprst->springs; - int id = 0; char name[8]; int aid, naspr; double fkspr, X0, Y0, Z0; - while (id < sprst->nsprings) { + for (size_t id = 0; id < sprst->nsprings; id++) { c = fscanf(fp, "%i %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); if (c != 5) { ERR_MSG("Wrong spring file format\n"); @@ -466,8 +477,6 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *sfile) { sprs[id].laspr[i] = aid - 1; } - - id++; } fclose(fp); @@ -475,6 +484,61 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *sfile) { } +struct pointsprings_setup *pointsprings_setup_read_json(json_t* root) +{ + if (!json_is_array(root)) { + ERR_MSG("Pointsprings must be an array"); + return NULL; + } + + size_t nsprings = json_array_size(root); + struct pointspring *sprs = calloc(nsprings, sizeof(struct pointspring)); + + size_t counter; + json_t* spring; + json_array_foreach(root, counter, spring) { + int result = json_unpack( + spring, + "{s:f, s:[fff], s:f}", + "weight", &sprs[counter].fkspr, + "coords", &sprs[counter].X0, &sprs[counter].Y0, &sprs[counter].Z0); + if (result != 0) { + ERR_MSG("lj"); + free(sprs); + return NULL; + } + + json_t* atoms = json_object_get(root, "atoms"); + if (!atoms || !json_is_array(atoms)) { + ERR_MSG("lj"); + free(sprs); + return NULL; + } + + sprs[counter].naspr = json_array_size(atoms); + sprs[counter].laspr = calloc(sprs[counter].naspr, sizeof(int)); + size_t atom_counter; + json_t* atom_id; + json_array_foreach(atoms, atom_counter, atom_id) { + if (!json_is_integer(atom_id)) { + ERR_MSG("ASDFSD"); + for (size_t i = 0; i < nsprings; i++) { + free(sprs[i].laspr); + } + free(sprs); + return NULL; + } + sprs[counter].laspr[atom_counter] = json_integer_value(atom_id); + } + } + + struct pointsprings_setup* output = calloc(1, sizeof(struct pointsprings_setup)); + output->nsprings = nsprings; + output->springs = sprs; + return output; +} + + /*struct density_setup *density_setup_create(char *fitting_pdblist, double weight, double radius) { struct density_setup *fit_prms = calloc(1, sizeof(struct density_setup)); @@ -593,11 +657,13 @@ struct noe_setup *noe_setup_read_txt(char *sfile) { struct noe_setup *noe_setup_read_json(json_t* root) { struct mol_noe* noe = mol_noe_from_json_object(root); if (!noe) { + ERR_MSG("Couldn't parse NOE setup"); return NULL; } json_t* w = json_object_get(root, "weight"); if (!w || !json_is_number(w)) { + ERR_MSG("NOE setup doesn't have weight"); mol_noe_free(noe); return NULL; } @@ -611,11 +677,11 @@ struct noe_setup *noe_setup_read_json(json_t* root) { struct noe_setup *noe_setup_read_json_file(char* file) { - json_t* root = _load_file(file); + json_t* root = _read_json_file(file); if (!root) { return NULL; } - return noe_setup_read_json_file(root); + return noe_setup_read_json(root); } @@ -763,7 +829,7 @@ bool energy_prm_read( // read json if (prms.setup_json) { - json_t* setup = _load_file(prms.setup_json); + json_t* setup = _read_json_file(prms.setup_json); size_t stage_id; bool error = false; @@ -823,7 +889,7 @@ bool energy_prm_read( } } - /*json_t* stage_pointsprings = json_object_get(stage_desc, "pointsprings"); + json_t* stage_pointsprings = json_object_get(stage_desc, "pointsprings"); if (stage_pointsprings) { stage_prms->sprst_points = pointsprings_setup_read_json(stage_pointsprings); json_decref(stage_pointsprings); @@ -833,7 +899,7 @@ bool energy_prm_read( } } - json_t* stage_density = json_object_get(stage_desc, "density"); + /*json_t* stage_density = json_object_get(stage_desc, "density"); if (stage_density) { stage_prms->fit_prms = density_setup_read_json(stage_density); json_decref(stage_density); @@ -853,13 +919,22 @@ bool energy_prm_read( } } - if ((error = !_get_bool_field(&stage_prms->bonds, stage_desc, "bonds"))) { break; } - if ((error = !_get_bool_field(&stage_prms->angles, stage_desc, "angles"))) { break; } - if ((error = !_get_bool_field(&stage_prms->dihedrals, stage_desc, "dihedrals"))) { break; } - if ((error = !_get_bool_field(&stage_prms->impropers, stage_desc, "impropers"))) { break; } - if ((error = !_get_bool_field(&stage_prms->vdw, stage_desc, "vdw"))) { break; } - if ((error = !_get_bool_field(&stage_prms->vdw03, stage_desc, "vdw03"))) { break; } - if ((error = !_get_bool_field(&stage_prms->gbsa, stage_desc, "gbsa"))) { break; } + int unpack_result = json_unpack( + stage_desc, + "{s?b, s?b, s?b, s?b, s?b, s?b, s?b}", + "bonds", &stage_prms->bonds, + "angles", &stage_prms->angles, + "dihedrals", &stage_prms->dihedrals, + "impropers", &stage_prms->impropers, + "vdw", &stage_prms->vdw, + "vdw03", &stage_prms->vdw03, + "gbsa", &stage_prms->gbsa); + + if (unpack_result != 0) { + ERR_MSG("Flags unpacking"); + error = true; + break; + } } if (!error) { diff --git a/src/utils.h b/src/utils.h index 9fbfcba..43504f0 100644 --- a/src/utils.h +++ b/src/utils.h @@ -18,11 +18,11 @@ fprintf(stderr,"[Info]: " fmt, ##__VA_ARGS__); \ } while(0) -#define FOPEN(handle, file, mode) do { \ - handle = fopen(file, mode); \ - if (handle == NULL) { \ - ERR_MSG("Can't open %s", file); \ +#define FOPEN_ELSE(handle, path, mode) \ + handle = fopen((path), (mode)); \ + if ((handle) == NULL) { \ + ERR_MSG("Can't open %s", (path)); \ } \ -} while (0); + if ((handle) == NULL) \ #endif //ENERGYMIN_UTILS_H From b56d32ae38a7e5c28a1ea26053dc70c5365b0ed7 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Tue, 5 May 2020 15:25:47 -0400 Subject: [PATCH 03/31] Json logging. Fix-ligand flag. Technical fixes --- src/minimize.c | 144 +++++++++++++++++++------ src/parse_options.c | 14 ++- src/parse_options.h | 3 + src/potentials.c | 256 +++++++++++++++++++++++++++----------------- src/potentials.h | 9 +- 5 files changed, 291 insertions(+), 135 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index c5e19e7..0ac46dd 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -10,6 +10,7 @@ #define __TOL__ 5E-4 + static lbfgsfloatval_t energy_func( void *restrict prm, const double *restrict array, @@ -28,7 +29,7 @@ int main(int argc, char **argv) { exit(EXIT_FAILURE); } - struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(parsed); + struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); if (!ag_list) { ERR_MSG("Couldn't read atom groups"); exit(EXIT_FAILURE); @@ -36,7 +37,7 @@ int main(int argc, char **argv) { struct energy_prm* min_prms; size_t nstages; - if (!energy_prm_read(&min_prms, &nstages, parsed, ag_list)) { + if (!energy_prm_read(&min_prms, &nstages, parsed)) { ERR_MSG("Couldn't fill params"); mol_atom_group_list_free(ag_list); exit(EXIT_FAILURE); @@ -51,6 +52,8 @@ int main(int argc, char **argv) { exit(EXIT_FAILURE); } + json_t* json_log_total = json_array(); + for (int modeli = 0; modeli < ag_list->size; modeli++) { INFO_MSG("Started model %i\n", modeli); @@ -58,14 +61,19 @@ int main(int argc, char **argv) { fprintf(out_pdb, "MODEL %i\n", (modeli + 1)); } + json_t* json_log_model = json_object(); + struct mol_atom_group *ag = &ag_list->members[modeli]; ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); for (size_t stage_id = 0; stage_id < nstages; stage_id++) { - struct energy_prm *stage_prms = &min_prms[stage_id]; + struct energy_prm *stage_prms = min_prms + stage_id; stage_prms->ag = ag; + struct agsetup ag_setup; + struct acesetup ace_setup; + // Setup fixed atoms and lists mol_fixed_init(ag); @@ -75,27 +83,53 @@ int main(int argc, char **argv) { mol_fixed_update(ag, 0, NULL); } - init_nblst(ag, stage_prms->ag_setup); - update_nblst(ag, stage_prms->ag_setup); + init_nblst(ag, &ag_setup); + update_nblst(ag, &ag_setup); if (stage_prms->gbsa) { - stage_prms->ace_setup->efac = 0.5; - ace_ini(ag, stage_prms->ace_setup); - ace_fixedupdate(ag, stage_prms->ag_setup, stage_prms->ace_setup); - ace_updatenblst(stage_prms->ag_setup, stage_prms->ace_setup); + ace_setup.efac = 0.5; + ace_ini(ag, &ace_setup); + ace_fixedupdate(ag, &ag_setup, &ace_setup); + ace_updatenblst(&ag_setup, &ace_setup); + stage_prms->ace_setup = &ace_setup; + } else { + stage_prms->ace_setup = NULL; } - mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) (&stage_prms), energy_func); + stage_prms->ag_setup = &ag_setup; + + mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); + + //free_agsetup(stage_prms->ag_setup); + //if (stage_prms->ace_setup) { + // free_acesetup(stage_prms->ace_setup); + //} + + // Record energy every time it was evaluated + json_object_set_new(json_log_model, "steps", stage_prms->json_log); + stage_prms->json_log = NULL; + + // Record final energy + energy_func((void *) stage_prms, NULL, NULL, 0, 0); + json_t* final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); + json_object_set_new(json_log_model, "final", final_energy); + json_decref(stage_prms->json_log); + stage_prms->json_log = NULL; } - } - FILE* out_json = fopen(parsed.out_json, "w"); - if (!out_json) { - ERR_MSG("Can't open %s", parsed.out_json); - mol_atom_group_list_free(ag_list); - exit(EXIT_FAILURE); + mol_fwrite_pdb(out_pdb, ag); + json_array_append_new(json_log_total, json_log_model); + + if (ag_list->size > 1) { + fprintf(out_pdb, "ENDMDL\n"); + } } + json_dump_file(json_log_total, parsed.out_json, JSON_INDENT(4)); + json_decref(json_log_total); + + mol_atom_group_list_free(ag_list); + INFO_MSG("Completed\n"); return EXIT_SUCCESS; } @@ -107,13 +141,22 @@ static lbfgsfloatval_t energy_func( double *restrict gradient, const int array_size, const lbfgsfloatval_t step) { - lbfgsfloatval_t energy = 0.0; + + lbfgsfloatval_t total_energy = 0.0; + lbfgsfloatval_t term_energy = 0.0; + struct energy_prm *energy_prm = (struct energy_prm *) prm; + if (energy_prm->json_log == NULL) { + energy_prm->json_log = json_array(); + } + + json_t* energy_dict = json_object(); if (array != NULL) { assert(array_size == energy_prm->ag->active_atoms->size * 3); mol_atom_group_set_actives(energy_prm->ag, array); } + bool updated = check_clusterupdate(energy_prm->ag, energy_prm->ag_setup); if (updated) { if (energy_prm->ace_setup != NULL) { @@ -124,58 +167,96 @@ static lbfgsfloatval_t energy_func( mol_zero_gradients(energy_prm->ag); if (energy_prm->ace_setup != NULL) { - aceeng(energy_prm->ag, &energy, energy_prm->ace_setup, energy_prm->ag_setup); + term_energy = 0.0; + aceeng(energy_prm->ag, &term_energy, energy_prm->ace_setup, energy_prm->ag_setup); + json_object_set_new(energy_dict, "gbsa", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->vdw) { - vdweng(energy_prm->ag, &energy, energy_prm->ag_setup->nblst); + term_energy = 0.0; + vdweng(energy_prm->ag, &term_energy, energy_prm->ag_setup->nblst); + json_object_set_new(energy_dict, "vdw", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->vdw03) { + term_energy = 0.0; vdwengs03( 1.0, energy_prm->ag_setup->nblst->nbcof, - energy_prm->ag, &energy, + energy_prm->ag, &term_energy, energy_prm->ag_setup->nf03, energy_prm->ag_setup->listf03); + json_object_set_new(energy_dict, "vdw03", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->bonds) { - beng(energy_prm->ag, &energy); + term_energy = 0.0; + beng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "bonds", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->angles) { - aeng(energy_prm->ag, &energy); + term_energy = 0.0; + aeng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "angles", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->dihedrals) { - teng(energy_prm->ag, &energy); + term_energy = 0.0; + teng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "dihedrals", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->impropers) { - ieng(energy_prm->ag, &energy); + term_energy = 0.0; + ieng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "impropers", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->sprst_pairs != NULL) { - pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &energy); + term_energy = 0.0; + pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "pairsprings", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->sprst_points != NULL) { - pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &energy); + term_energy = 0.0; + pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "pointsprings", json_real(term_energy)); + total_energy += term_energy; } if (energy_prm->nmr != NULL) { mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true); - mol_noe_calc_energy(energy_prm->nmr->spec, energy_prm->ag->gradients, energy_prm->nmr->weight, 1. / 6.); - energy += energy_prm->nmr->spec->energy; + mol_noe_calc_energy( + energy_prm->nmr->spec, + energy_prm->ag->gradients, + energy_prm->nmr->weight, + energy_prm->nmr->power); + + term_energy = energy_prm->nmr->spec->energy; + total_energy += term_energy; + + json_object_set_new(energy_dict, "noe", json_real(term_energy)); + json_object_set_new(energy_dict, "noe_details", mol_noe_to_json_object(energy_prm->nmr->spec)); } if (energy_prm->fit_prms != NULL) { - energy += mol_fitting_score_aglist(energy_prm->ag, + term_energy = mol_fitting_score_aglist(energy_prm->ag, energy_prm->fit_prms->ag_list, energy_prm->fit_prms->ag_count, &energy_prm->fit_prms->prms, energy_prm->fit_prms->weight); + json_object_set_new(energy_dict, "density", json_real(term_energy)); + total_energy += term_energy; } if (gradient != NULL) { @@ -187,6 +268,9 @@ static lbfgsfloatval_t energy_func( } } - return energy; + json_object_set_new(energy_dict, "total", json_real(total_energy)); + json_array_append_new(energy_prm->json_log, energy_dict); + + return total_energy; } diff --git a/src/parse_options.c b/src/parse_options.c index 57196d4..fb8c306 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -1,6 +1,5 @@ #include - #include "parse_options.h" #include "utils.h" @@ -71,6 +70,7 @@ static struct options _get_defaut_options() .verbose = 0, .fix_receptor = 0, + .fix_ligand = 0, .score_only = 0, .help = 0 }; @@ -87,6 +87,17 @@ static int _check_prms(struct options prms) } else if (prms.pdb && prms.psf && prms.prm && prms.rtf) { prms.separate = false; + + if (prms.fix_receptor) { + ERR_MSG("Can't fix receptor when provided as a single file"); + return 1; + } + + if (prms.fix_ligand) { + ERR_MSG("Can't fix ligand when provided as a single file"); + return 1; + } + INFO_MSG("Using prm %s", prms.prm); } else if (prms.rec_pdb || prms.rec_psf || prms.rec_prm || prms.rec_rtf || prms.rec_json) { @@ -183,6 +194,7 @@ struct options parse_args(const int argc, const char** argv, bool *error) {"gbsa-off", no_argument, &prms.gbsa, 0}, {"fix-receptor", no_argument, &prms.fix_receptor, 1}, + {"fix-ligand", no_argument, &prms.fix_ligand, 1}, {"score-only", no_argument, &prms.score_only, 1}, {"verbose", no_argument, &prms.verbose, 1}, {"help", no_argument, 0, 'h'}, diff --git a/src/parse_options.h b/src/parse_options.h index 680b42a..00a2dea 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -16,6 +16,8 @@ struct options { char* out_json; bool separate; + size_t rec_natoms; + size_t lig_natoms; char* psf; char* prm; @@ -59,6 +61,7 @@ struct options { int verbose; int fix_receptor; + int fix_ligand; int score_only; int help; }; diff --git a/src/potentials.c b/src/potentials.c index de7268d..83727fc 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -20,25 +20,6 @@ } while(0) -static struct mol_atom_group_list* _merge_ag_lists(struct mol_atom_group_list* ag1, struct mol_atom_group_list* ag2) { - if (ag1->size != ag2->size) { - ERR_MSG("Receptor and ligand have different numbers of models (%i, %i)", (int)ag1->size, (int)ag2->size); - return NULL; - } - - INFO_MSG("Using models assembled from receptor and ligand models provided separately\n"); - struct mol_atom_group_list *ag_list = mol_atom_group_list_create(ag1->size); - - for (size_t i = 0; i < ag_list->size; i++) { - struct mol_atom_group* _join = mol_atom_group_join(&ag1->members[i], &ag2->members[i]); - ag_list->members[i] = *_join; - free(_join); - } - - return ag_list; -} - - /* * Create mol_atom_group_list with geometry (if score_only == 1 can be without) */ @@ -131,25 +112,44 @@ static struct mol_atom_group_list *_read_ag_list( } -struct mol_atom_group_list* mol_atom_group_list_from_options(struct options prms) +static struct mol_atom_group_list* _merge_ag_lists(struct mol_atom_group_list* ag1, struct mol_atom_group_list* ag2) { + if (ag1->size != ag2->size) { + ERR_MSG("Receptor and ligand have different numbers of models (%i, %i)", (int)ag1->size, (int)ag2->size); + return NULL; + } + + INFO_MSG("Using models assembled from receptor and ligand models provided separately\n"); + struct mol_atom_group_list *ag_list = mol_atom_group_list_create(ag1->size); + + for (size_t i = 0; i < ag_list->size; i++) { + struct mol_atom_group* _join = mol_atom_group_join(&ag1->members[i], &ag2->members[i]); + ag_list->members[i] = *_join; + free(_join); + } + + return ag_list; +} + + +struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prms) { struct mol_atom_group_list* ag_list; - if (prms.separate) { + if (prms->separate) { struct mol_atom_group_list* rec_list = _read_ag_list( - prms.rec_prm, - prms.rec_rtf, - prms.rec_pdb, - prms.rec_psf, - prms.rec_json, - prms.score_only); + prms->rec_prm, + prms->rec_rtf, + prms->rec_pdb, + prms->rec_psf, + prms->rec_json, + prms->score_only); struct mol_atom_group_list* lig_list = _read_ag_list( - prms.lig_prm, - prms.lig_rtf, - prms.lig_pdb, - prms.lig_psf, - prms.lig_json, - prms.score_only); + prms->lig_prm, + prms->lig_rtf, + prms->lig_pdb, + prms->lig_psf, + prms->lig_json, + prms->score_only); if (!rec_list || !lig_list) { if (rec_list) { @@ -161,16 +161,22 @@ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options prms return NULL; } + prms->rec_natoms = rec_list->members[0].natoms; + prms->lig_natoms = lig_list->members[0].natoms; + ag_list = _merge_ag_lists(rec_list, lig_list); } else { ag_list = _read_ag_list( - prms.prm, - prms.rtf, - prms.pdb, - prms.psf, - prms.json, - prms.score_only); + prms->prm, + prms->rtf, + prms->pdb, + prms->psf, + prms->json, + prms->score_only); + + prms->rec_natoms = 0; + prms->lig_natoms = 0; } return ag_list; } @@ -191,11 +197,13 @@ static json_t* _read_json_file(char *path) void fixed_setup_free(struct fixed_setup** fixed) { - if ((*fixed)->atoms) { - free((*fixed)->atoms); + if (*fixed != NULL) { + if ((*fixed)->atoms) { + free((*fixed)->atoms); + } + free(*fixed); + *fixed = NULL; } - free(*fixed); - *fixed = NULL; } @@ -271,6 +279,18 @@ void pairsprings_setup_free(struct pairsprings_setup **sprst) { } +struct fixed_setup* fixed_setup_atom_range(size_t start_atom, size_t end_atom) +{ + struct fixed_setup* fixed = calloc(1, sizeof(struct fixed_setup)); + fixed->natoms = end_atom - start_atom; + fixed->atoms = calloc(fixed->natoms, sizeof(size_t)); + for (size_t i = 0; i < fixed->natoms; i++) { + fixed->atoms[i] = start_atom; + } + return fixed; +} + + struct pairsprings_setup *pairsprings_setup_read_txt(char *path) { FILE *fp; FOPEN_ELSE(fp, path, "r") { @@ -589,9 +609,9 @@ void density_setup_free(struct density_setup **prms) { void noe_setup_free(struct noe_setup **nmr) { if (*nmr != NULL) { mol_noe_free((*nmr)->spec); + free(*nmr); + *nmr = NULL; } - free(*nmr); - *nmr = NULL; } @@ -649,6 +669,7 @@ struct noe_setup *noe_setup_read_txt(char *sfile) { } nmr->spec->exp = mol_noe_matrix_read_txt_stacked(matrix_path, groups->ngroups, mask); nmr->weight = weight; + nmr->power = 1./ 6.; return nmr; } @@ -661,17 +682,16 @@ struct noe_setup *noe_setup_read_json(json_t* root) { return NULL; } - json_t* w = json_object_get(root, "weight"); - if (!w || !json_is_number(w)) { - ERR_MSG("NOE setup doesn't have weight"); - mol_noe_free(noe); - return NULL; - } - struct noe_setup* result = calloc(1, sizeof(struct noe_setup)); - result->weight = json_number_value(w); result->spec = noe; + int code = json_unpack(root, "{s:f, s:f}", "weight", &result->weight, "power", &result->power); + if (code != 0) { + ERR_MSG("Couldn't parse NOE weight and power"); + noe_setup_free(&result); + return NULL; + } + return result; } @@ -687,16 +707,17 @@ struct noe_setup *noe_setup_read_json_file(char* file) { void energy_prm_free(struct energy_prm** prm, size_t nstages) { - for (size_t i = 0; i < nstages; i++) { - pairsprings_setup_free(&((*prm)->sprst_pairs)); - pointsprings_setup_free(&((*prm)->sprst_points)); - //density_setup_free(&((*prm)->fit_prms)); - noe_setup_free(&((*prm)->nmr)); - fixed_setup_free(&((*prm)->fixed)); + if (*prm != NULL) { + for (size_t i = 0; i < nstages; i++) { + pairsprings_setup_free(&((*prm)->sprst_pairs)); + pointsprings_setup_free(&((*prm)->sprst_points)); + //density_setup_free(&((*prm)->fit_prms)); + noe_setup_free(&((*prm)->nmr)); + fixed_setup_free(&((*prm)->fixed)); + } + free(*prm); + *prm = NULL; } - - free(*prm); - *prm = NULL; } @@ -717,8 +738,7 @@ static bool _get_bool_field(bool* result, json_t* root, char* field) bool energy_prm_read( struct energy_prm** result_energy_prm, size_t* result_nstages, - struct options prms, - struct mol_atom_group_list* ag_list) + struct options prms) { struct energy_prm* all_stage_prms = calloc(1, sizeof(struct energy_prm)); size_t nstages = 1; @@ -729,6 +749,8 @@ bool energy_prm_read( all_stage_prms->ag = NULL; all_stage_prms->ag_setup = NULL; all_stage_prms->ace_setup = NULL; + all_stage_prms->json_log = NULL; + all_stage_prms->sprst_pairs = NULL; all_stage_prms->sprst_points = NULL; all_stage_prms->nmr = NULL; @@ -746,28 +768,36 @@ bool energy_prm_read( all_stage_prms->gbsa = prms.gbsa; all_stage_prms->score_only = prms.score_only; + all_stage_prms->verbose = prms.verbose; // setup default fixed + if ((int)(prms.fixed_pdb != NULL) + (int)(prms.fix_receptor) + (int)(prms.fix_ligand) > 1) { + ERR_MSG("Fixes can't be combined"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + if (prms.fixed_pdb) { all_stage_prms->fixed = fixed_setup_read_txt(prms.fixed_pdb); - if (!all_stage_prms->fixed) { ERR_MSG("SDF"); energy_prm_free(&all_stage_prms, nstages); return false; } - } - - if (prms.fix_receptor) { + } else if (prms.fix_receptor) { if (all_stage_prms->fixed) { ERR_MSG("Cannot use"); energy_prm_free(&all_stage_prms, nstages); return false; } - - all_stage_prms->fixed = calloc(1, sizeof(struct fixed_setup)); - all_stage_prms->fixed->natoms = ag_list->members[0].natoms; - all_stage_prms->fixed->atoms = calloc(all_stage_prms->fixed->natoms, sizeof(size_t)); + all_stage_prms->fixed = fixed_setup_atom_range(0, prms.rec_natoms); + } else if (prms.fix_ligand) { + if (all_stage_prms->fixed) { + ERR_MSG("Cannot use"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + all_stage_prms->fixed = fixed_setup_atom_range(prms.rec_natoms, prms.rec_natoms + prms.lig_natoms); } if (prms.pair_springs_txt) { @@ -830,8 +860,6 @@ bool energy_prm_read( // read json if (prms.setup_json) { json_t* setup = _read_json_file(prms.setup_json); - size_t stage_id; - bool error = false; if (!setup) { ERR_MSG("sd"); @@ -851,48 +879,90 @@ bool energy_prm_read( // copy default params to each stage struct energy_prm* buffer = calloc(nstages, sizeof(struct energy_prm)); for (size_t i = 0; i < nstages; i++) { + // TODO: need to recursive copy of setups, because later on the + // pointers can be overwritten and never be freed memcpy(buffer + i, all_stage_prms, sizeof(struct energy_prm)); } free(all_stage_prms); all_stage_prms = buffer; json_t* stage_desc; + size_t stage_id; + bool error = false; json_array_foreach(setup, stage_id, stage_desc) { struct energy_prm* stage_prms = &all_stage_prms[stage_id]; - json_t* stage_nsteps = json_object_get(stage_desc, "nsteps"); - if (!stage_nsteps || !json_is_integer(stage_nsteps)) { - ERR_MSG("Must contain nsteps"); + bool stage_fix_rec = false; + bool stage_fix_lig = false; + + int unpack_result = json_unpack( + stage_desc, + "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", + "bonds", &stage_prms->bonds, + "angles", &stage_prms->angles, + "dihedrals", &stage_prms->dihedrals, + "impropers", &stage_prms->impropers, + "vdw", &stage_prms->vdw, + "vdw03", &stage_prms->vdw03, + "gbsa", &stage_prms->gbsa, + "fix_receptor", &stage_fix_rec, + "fix_ligand", &stage_fix_lig, + "score_only", &stage_prms->score_only, + "verbose", &stage_prms->verbose, + "nsteps", &stage_prms->nsteps); + + if (unpack_result != 0) { + ERR_MSG("Flags unpacking"); + error = true; + break; + } + + if ((stage_fix_rec || stage_fix_lig) && !prms.separate) { + ERR_MSG("Is not separate"); error = true; break; } - stage_prms->nsteps = json_integer_value(stage_nsteps); json_t* stage_fixed = json_object_get(stage_desc, "fixed"); + if ((int)(stage_fixed != NULL) + (int)(stage_fix_rec) + (int)(stage_fix_lig) > 1) { + ERR_MSG("Fix can't be combined"); + error = true; + break; + } + + // Read fixed atoms if (stage_fixed) { + fixed_setup_free(&stage_prms->fixed); stage_prms->fixed = fixed_setup_read_json(stage_fixed); - json_decref(stage_fixed); if (!stage_prms->fixed) { + ERR_MSG("Can't read fix from json"); error = true; break; } + } else if (stage_fix_rec) { + fixed_setup_free(&stage_prms->fixed); + stage_prms->fixed = fixed_setup_atom_range(0, prms.rec_natoms); + } else if (stage_fix_lig) { + fixed_setup_free(&stage_prms->fixed); + stage_prms->fixed = fixed_setup_atom_range(prms.rec_natoms, prms.rec_natoms + prms.lig_natoms); } + // Pairsprings json_t* stage_pairsprings = json_object_get(stage_desc, "pairsprings"); if (stage_pairsprings) { stage_prms->sprst_pairs = pairsprings_setup_read_json(stage_pairsprings); - json_decref(stage_pairsprings); if (!stage_prms->sprst_pairs) { + ERR_MSG(""); error = true; break; } } + // Pointsprings json_t* stage_pointsprings = json_object_get(stage_desc, "pointsprings"); if (stage_pointsprings) { stage_prms->sprst_points = pointsprings_setup_read_json(stage_pointsprings); - json_decref(stage_pointsprings); if (!stage_prms->sprst_points) { error = true; break; @@ -909,36 +979,20 @@ bool energy_prm_read( } }*/ + // NOE json_t* stage_noe = json_object_get(stage_desc, "noe"); if (stage_noe) { stage_prms->nmr = noe_setup_read_json(stage_noe); - json_decref(stage_noe); if (!stage_prms->nmr) { error = true; break; } } - - int unpack_result = json_unpack( - stage_desc, - "{s?b, s?b, s?b, s?b, s?b, s?b, s?b}", - "bonds", &stage_prms->bonds, - "angles", &stage_prms->angles, - "dihedrals", &stage_prms->dihedrals, - "impropers", &stage_prms->impropers, - "vdw", &stage_prms->vdw, - "vdw03", &stage_prms->vdw03, - "gbsa", &stage_prms->gbsa); - - if (unpack_result != 0) { - ERR_MSG("Flags unpacking"); - error = true; - break; - } } - if (!error) { - json_decref(setup); + json_decref(setup); + + if (error) { energy_prm_free(&all_stage_prms, nstages); return false; } diff --git a/src/potentials.h b/src/potentials.h index b995c49..399c4d1 100644 --- a/src/potentials.h +++ b/src/potentials.h @@ -23,6 +23,8 @@ struct energy_prm { struct mol_atom_group *ag; struct agsetup *ag_setup; struct acesetup *ace_setup; + json_t* json_log; + struct pairsprings_setup *sprst_pairs; struct pointsprings_setup *sprst_points; struct noe_setup *nmr; @@ -39,10 +41,12 @@ struct energy_prm { bool gbsa; bool score_only; + bool verbose; }; struct noe_setup { double weight; + double power; struct mol_noe *spec; }; @@ -86,12 +90,11 @@ struct fixed_setup { bool energy_prm_read( struct energy_prm** result_energy_prm, size_t* result_nstages, - struct options prms, - struct mol_atom_group_list* ag_list); + struct options prms); void energy_prm_free(struct energy_prm** prm, size_t nstages); -struct mol_atom_group_list* mol_atom_group_list_from_options(struct options prms); +struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prms); void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een); From 6a96b973d84a9d2d401f107b324b236b88d8a4f3 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Tue, 5 May 2020 19:46:46 -0400 Subject: [PATCH 04/31] Started setting up tests --- CMakeLists.txt | 29 ++++++- src/minimize.c | 24 ++++-- src/parse_options.c | 106 +++++++++++++----------- src/parse_options.h | 8 +- src/potentials.c | 3 + src/potentials.h | 6 -- src/utils.h | 7 +- test/CMakeLists.txt | 31 +++++++ test/test1.c | 195 ++++++++++++++++++++++++++++++++++++++++++++ 9 files changed, 339 insertions(+), 70 deletions(-) create mode 100644 test/CMakeLists.txt create mode 100644 test/test1.c diff --git a/CMakeLists.txt b/CMakeLists.txt index 5cebf96..2a1c837 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -13,6 +13,7 @@ set(CMAKE_CXX_STANDARD_REQUIRED ON) set(CMAKE_CXX_EXTENSIONS OFF) option(LTO "Link Time Optimization" ON) +option(BUILD_TESTS "Build tests" ON) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") @@ -28,7 +29,23 @@ find_package(GSL REQUIRED) find_package(mol2 REQUIRED) -add_executable(minimize src/minimize.c src/potentials.c src/potentials.h src/parse_options.c src/parse_options.h src/utils.h) +set(LIBRARY_LIST + "${MOL2_LIBRARIES}" + "${GSL_LIBRARIES}" + "${JANSSON_LIBRARIES}" + m) + +set(INCLUDE_LIST + "${MOL2_INCLUDE_DIRS}" + "${JANSSON_INCLUDE_DIRS}" + "${GSL_INCLUDE_DIRS}" + "${GSL_INCLUDE_DIR}") + +set(SRC_LIST + ${PROJECT_SOURCE_DIR}/src/potentials.c + ${PROJECT_SOURCE_DIR}/src/parse_options.c) + +add_executable(minimize ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) if (LTO) include(CheckIPOSupported) @@ -42,6 +59,12 @@ target_include_directories(minimize PUBLIC "$" "$" - PRIVATE "${MOL2_INCLUDE_DIRS} ${JANSSON_INCLUDE_DIRS} ${GSL_INCLUDE_DIRS} ${GSL_INCLUDE_DIR}") + PRIVATE ${INCLUDE_LIST}) + +target_link_libraries(minimize ${LIBRARY_LIST}) -target_link_libraries(minimize ${MOL2_LIBRARIES} ${GSL_LIBRARIES} ${JANSSON_LIBRARIES} m) +if (BUILD_TESTS) + find_package(Check REQUIRED) + enable_testing() + add_subdirectory("test") +endif() \ No newline at end of file diff --git a/src/minimize.c b/src/minimize.c index 0ac46dd..8e9ff30 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -4,6 +4,16 @@ #include #include +#include "mol2/json.h" +#include "mol2/benergy.h" +#include "mol2/gbsa.h" +#include "mol2/icharmm.h" +#include "mol2/minimize.h" +#include "mol2/nbenergy.h" +#include "mol2/pdb.h" +#include "mol2/fitting.h" +#include "mol2/noe.h" + #include "utils.h" #include "potentials.h" #include "parse_options.h" @@ -28,18 +38,20 @@ int main(int argc, char **argv) { ERR_MSG("Parse error"); exit(EXIT_FAILURE); } - - struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); - if (!ag_list) { - ERR_MSG("Couldn't read atom groups"); - exit(EXIT_FAILURE); + if (parsed.help) { + exit(EXIT_SUCCESS); } struct energy_prm* min_prms; size_t nstages; if (!energy_prm_read(&min_prms, &nstages, parsed)) { ERR_MSG("Couldn't fill params"); - mol_atom_group_list_free(ag_list); + exit(EXIT_FAILURE); + } + + struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); + if (!ag_list) { + ERR_MSG("Couldn't read atom groups"); exit(EXIT_FAILURE); } diff --git a/src/parse_options.c b/src/parse_options.c index fb8c306..f7781a3 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -1,10 +1,12 @@ #include +#include +#include #include "parse_options.h" #include "utils.h" -#define _FILL_PARAM(arg, value) do { \ +#define _FILL_PARAM(arg, value) do { \ char str_arg[] = #arg; \ char* dot_pos; \ if ((dot_pos = strchr(str_arg, '.')) != NULL) { \ @@ -15,12 +17,13 @@ *dash_pos = '-'; \ }; \ if (strcmp(dot_pos, long_options[option_index].name) == 0) { \ - arg = value; \ - } \ + arg = value; \ + break; \ + } \ } while (0) -static struct options _get_defaut_options() +struct options get_defaut_options() { struct options prms = { .out_pdb = "out.pdb", @@ -79,58 +82,63 @@ static struct options _get_defaut_options() } -static int _check_prms(struct options prms) +static int _check_prms(struct options *prms) { - if (prms.json) { - prms.separate = false; - INFO_MSG("Using json %s", prms.json); + bool full = false; + bool rec_sep = false; + bool lig_sep = false; - } else if (prms.pdb && prms.psf && prms.prm && prms.rtf) { - prms.separate = false; + if (prms->json || prms->pdb || prms->psf || prms->prm || prms->rtf) { + full = true; + prms->separate = false; - if (prms.fix_receptor) { + if (!(prms->json || (prms->pdb && prms->psf && prms->prm && prms->rtf))) { + ERR_MSG("Wrong sfds"); + return 1; + } + + if (prms->fix_receptor) { ERR_MSG("Can't fix receptor when provided as a single file"); return 1; } - if (prms.fix_ligand) { + if (prms->fix_ligand) { ERR_MSG("Can't fix ligand when provided as a single file"); return 1; } - INFO_MSG("Using prm %s", prms.prm); - - } else if (prms.rec_pdb || prms.rec_psf || prms.rec_prm || prms.rec_rtf || prms.rec_json) { - prms.separate = true; - - if (prms.rec_json) { - INFO_MSG("Using json %s", prms.rec_json); - - } else if (prms.rec_pdb && prms.rec_psf && prms.rec_prm && prms.rec_rtf) { - INFO_MSG("Using prm %s", prms.rec_prm); + INFO_MSG("Using prm %s", prms->prm); + } - } else { - ERR_MSG("kjhlkjh"); + if (prms->rec_pdb || prms->rec_psf || prms->rec_prm || prms->rec_rtf || prms->rec_json) { + if (full) { + ERR_MSG("Cant sep and full at the same time"); return 1; } - if (prms.lig_json) { - INFO_MSG("Using json %s", prms.lig_json); + if (!(prms->rec_json || (prms->rec_pdb && prms->rec_psf && prms->rec_prm && prms->rec_rtf))) { + ERR_MSG("Rec error"); + return 1; + } - } else if (prms.lig_pdb && prms.lig_psf && prms.lig_prm && prms.lig_rtf) { - INFO_MSG("Using prm %s", prms.lig_prm); + rec_sep = true; - } else { - ERR_MSG("sgsg"); + if (!(prms->lig_json || (prms->lig_pdb && prms->lig_psf && prms->lig_prm && prms->lig_rtf))) { + ERR_MSG("Lig error"); return 1; } - } else { - ERR_MSG("kljh"); + + lig_sep = true; + prms->separate = true; + } + + if (!(full || (rec_sep && lig_sep))) { + ERR_MSG("Nothing provided"); return 1; } - if (prms.nsteps < 0) { - ERR_MSG("sdf"); + if (prms->nsteps < 0) { + ERR_MSG("nsteps < 0"); return 1; } @@ -138,9 +146,9 @@ static int _check_prms(struct options prms) } -struct options parse_args(const int argc, const char** argv, bool *error) +struct options parse_args(const int argc, char *const *argv, bool *error) { - struct options prms = _get_defaut_options(); + struct options prms = get_defaut_options(); struct option long_options[] = { @@ -223,21 +231,19 @@ struct options parse_args(const int argc, const char** argv, bool *error) case 'h': usage_message(argv); - printf("ASDF"); - exit(EXIT_SUCCESS); - break; + *error = false; + prms.help = true; + return prms; case '?': usage_message(argv); - printf("ASDF"); - exit(EXIT_FAILURE); - break; + *error = true; + return prms; default: usage_message(argv); - printf("ASDF"); - exit(EXIT_FAILURE); - break; + *error = true; + return prms; } _FILL_PARAM(prms.out_pdb, optarg); @@ -270,15 +276,21 @@ struct options parse_args(const int argc, const char** argv, bool *error) } } - if (_check_prms(prms) != 0) { + if (_check_prms(&prms) != 0) { + usage_message(argv); *error = true; + return prms; } + *error = false; return prms; } -void usage_message(const char **argv) { +void usage_message(char *const *argv) { + printf("Usage msg\n"); + return; + printf("\nUsage %s [ options ]\n\n", argv[0]); printf("\t--prm ------------------ Parameter file (required)\n" "\t--rtf ------------------ Topology file (required)\n" diff --git a/src/parse_options.h b/src/parse_options.h index 00a2dea..3b22612 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -6,8 +6,6 @@ #define ENERGYMIN_PARSE_OPTIONS_H #include -#include -#include #include @@ -67,9 +65,11 @@ struct options { }; -struct options parse_args(const int argc, const char** argv, bool *error); +struct options get_defaut_options(); -void usage_message(const char **argv); +struct options parse_args(const int argc, char *const *argv, bool *error); + +void usage_message(char *const *argv); #endif //ENERGYMIN_PARSE_OPTIONS_H diff --git a/src/potentials.c b/src/potentials.c index 83727fc..364ba39 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -36,11 +36,13 @@ static struct mol_atom_group_list *_read_ag_list( struct mol_atom_group* ag_json = NULL; if (json != NULL) { + INFO_MSG("Reading json file %s\n", json); ag_json = mol_read_json(json); } if (pdb != NULL) { + INFO_MSG("Reading %s\n", pdb); INFO_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); ag_list = mol_read_pdb_models(pdb); @@ -59,6 +61,7 @@ static struct mol_atom_group_list *_read_ag_list( } if (ag_json != NULL) { + INFO_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); // Copy geometry from json to aglist struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); diff --git a/src/potentials.h b/src/potentials.h index 399c4d1..12e9e5d 100644 --- a/src/potentials.h +++ b/src/potentials.h @@ -3,16 +3,10 @@ #include #include -#include -#include #include -#include "mol2/json.h" #include "mol2/benergy.h" -#include "mol2/gbsa.h" #include "mol2/icharmm.h" -#include "mol2/minimize.h" -#include "mol2/nbenergy.h" #include "mol2/pdb.h" #include "mol2/fitting.h" #include "mol2/noe.h" diff --git a/src/utils.h b/src/utils.h index 43504f0..7e759b7 100644 --- a/src/utils.h +++ b/src/utils.h @@ -4,9 +4,8 @@ #include #define ERR_MSG(fmt, ...) do { \ - fprintf(stderr,"[Error] (file %s, %s, line %i):\n" fmt "\n" \ - "Exiting ...\n", __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ - exit(EXIT_FAILURE); \ + fprintf(stderr,"[Error] (file %s, %s, line %i):\n" fmt "\n", \ + __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ } while(0) #define WRN_MSG(fmt, ...) do { \ @@ -15,7 +14,7 @@ } while(0) #define INFO_MSG(fmt, ...) do { \ - fprintf(stderr,"[Info]: " fmt, ##__VA_ARGS__); \ + fprintf(stderr,"[Info]: " fmt "\n", ##__VA_ARGS__); \ } while(0) #define FOPEN_ELSE(handle, path, mode) \ diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt new file mode 100644 index 0000000..ec6f3ed --- /dev/null +++ b/test/CMakeLists.txt @@ -0,0 +1,31 @@ +link_directories(${CHECK_LIBRARY_DIRS}) + +set(tests_list test1) + +# Configure data files +file(GLOB test_files "${CMAKE_CURRENT_SOURCE_DIR}/data/*") +foreach(filepath ${test_files}) + get_filename_component(filename ${filepath} NAME) + configure_file(${filepath} ${CMAKE_CURRENT_BINARY_DIR}/${filename} COPYONLY) +endforeach() + +set(CMAKE_EXE_LINKER_FLAGS "${CHECK_LDFLAGS_OTHER} ${CMAKE_EXE_LINKER_FLAGS}") + +# Add and register tests +foreach(test ${tests_list}) + add_executable(${test} + ${test}.c + ${SRC_LIST}) + + target_link_libraries(${test} PRIVATE + ${CHECK_LIBRARIES} + ${LIBRARY_LIST}) + + target_include_directories(${test} PRIVATE + ${PROJECT_SOURCE_DIR}/src + ${CHECK_INCLUDE_DIRS} + ${CHECK_INCLUDE_DIR} + ${INCLUDE_LIST}) + + add_test(${test} ${CMAKE_CURRENT_BINARY_DIR}/${test}) +endforeach() diff --git a/test/test1.c b/test/test1.c new file mode 100644 index 0000000..1ae37ab --- /dev/null +++ b/test/test1.c @@ -0,0 +1,195 @@ +#include +#include +#include +#include + +#include "parse_options.h" +#include "potentials.h" + + +const double tolerance_strict = 1e-9; + +#ifndef ck_assert_double_eq_tol +#define ck_assert_double_eq_tol(val, ref, tol) \ + ck_assert(fabs(((val))-((ref))) < (tol)) +#endif + +#ifndef ck_assert_double_eq_def +#define ck_assert_double_eq_def(val, ref) \ + ck_assert_double_eq_tol(val, ref, tolerance_strict) +#endif + + +START_TEST(test_check_getopt_success) +{ + bool error; + struct options opts; + + switch (_i) { + case 0: + opts = parse_args(3, (char *[]) {"sham", "sham", "-h"}, &error); + ck_assert(!error); + ck_assert(opts.help); + break; + case 1: + opts = parse_args(10, (char *[]) {"sham", "sham", + "--pdb", "test.pdb", + "--psf", "test.psf", + "--rtf", "test.rtf", + "--prm", "test.prm"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.pdb, "test.pdb"); + break; + case 2: + opts = parse_args(4, (char *[]) {"sham", "sham", + "--json", "test.json"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.json, "test.json"); + break; + case 3: + opts = parse_args(18, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-psf", "test.psf", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-rtf", "test.rtf", + "--lig-prm", "test.prm"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_pdb, "test.pdb"); + ck_assert_str_eq(opts.lig_pdb, "test.pdb"); + ck_assert(opts.separate); + break; + case 4: + opts = parse_args(12, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-psf", "test.psf", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-json", "test.json"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_pdb, "test.pdb"); + ck_assert_str_eq(opts.lig_json, "test.json"); + ck_assert(opts.separate); + break; + case 5: + opts = parse_args(12, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-rtf", "test.rtf", + "--lig-prm", "test.prm"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_json, "test.json"); + ck_assert_str_eq(opts.lig_pdb, "test.pdb"); + ck_assert(opts.separate); + break; + case 6: + opts = parse_args(11, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-json", "test.json", + "--nsteps", "500", + "--pair-springs-txt", "test", + "--fix-receptor"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_json, "test.json"); + ck_assert_str_eq(opts.lig_json, "test.json"); + ck_assert_int_eq(opts.nsteps, 500); + ck_assert_str_eq(opts.pair_springs_txt, "test"); + ck_assert(opts.fix_receptor); + ck_assert(!opts.fix_ligand); + break; + } +} +END_TEST + + +START_TEST(test_check_getopt_failure) +{ + bool error; + struct options opts; + + switch (_i) { + case 0: + opts = parse_args(3, (char *[]) {"sham", "sham", "-a"}, &error); + ck_assert(error); + break; + case 1: + opts = parse_args(8, (char *[]) {"sham", "sham", + "--pdb", "test.pdb", + "--rtf", "test.rtf", + "--prm", "test.prm"}, &error); + ck_assert(error); + break; + case 2: + opts = parse_args(6, (char *[]) {"sham", "sham", + "--json", "test.json", + "--rec-pdb", "test"}, &error); + ck_assert(error); + break; + case 3: + opts = parse_args(6, (char *[]) {"sham", "sham", + "--json", "test.json", + "--nsteps", "-1"}, &error); + ck_assert(error); + break; + case 4: + opts = parse_args(10, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-json", "test.json"}, &error); + ck_assert(error); + break; + case 5: + opts = parse_args(10, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-prm", "test.prm"}, &error); + ck_assert(error); + break; + case 6: + opts = parse_args(5, (char *[]) {"sham", "sham", + "--json", "test.json", + "--fix-receptor"}, &error); + ck_assert(error); + break; + } +} +END_TEST + + +void setup_real(void) +{ + +} + +void teardown_real(void) +{ + +} + +Suite *lists_suite(void) +{ + Suite *suite = suite_create("getopt"); + TCase *tcase_real = tcase_create("real"); + tcase_add_checked_fixture(tcase_real, setup_real, teardown_real); + tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 7); + tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 7); + suite_add_tcase(suite, tcase_real); + + return suite; +} + +int main(void) +{ + Suite *suite = lists_suite(); + SRunner *runner = srunner_create(suite); + srunner_run_all(runner, CK_ENV); + + int number_failed = srunner_ntests_failed(runner); + srunner_free(runner); + return number_failed; +} \ No newline at end of file From 9afe1288d95516e4c45a24abd4d765d9dbbb9def Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Wed, 6 May 2020 00:35:29 -0400 Subject: [PATCH 05/31] Majority of tests is up --- src/minimize.c | 10 +- src/parse_options.c | 4 +- src/parse_options.h | 2 +- src/potentials.c | 111 +- src/potentials.h | 1 + test/CMakeLists.txt | 3 +- test/data/BACE_4_lig.json | 2479 +++++ test/data/BACE_4_lig_2models_close.pdb | 88 + test/data/BACE_4_lig_2models_far.pdb | 88 + test/data/BACE_4_lig_far.pdb | 44 + test/data/BACE_4_rec.pdb | 3600 +++++++ test/data/BACE_4_rec.psf | 11057 ++++++++++++++++++++ test/data/BACE_4_rec_2models.pdb | 7202 +++++++++++++ test/data/BACE_4_rec_parm.prm | 6718 ++++++++++++ test/data/BACE_4_rec_pdbamino.rtf | 4327 ++++++++ test/data/noe.json | 35 + test/data/pairsprings.txt | 2 + test/data/pairsprings_invalid.txt | 2 + test/data/pointsprings.txt | 4 + test/data/pointsprings_xl.txt | 26 + test/data/pointsprings_xl_invalid.txt | 26 + test/data/setup_all.json | 84 + test/data/setup_fixed_flag.json | 6 + test/data/setup_fixed_json.json | 14 + test/data/setup_noe.json | 40 + test/data/setup_noe_invalid.json | 40 + test/data/setup_pairsprings.json | 14 + test/data/setup_pairsprings_invalid.json | 13 + test/data/setup_pointsprings.json | 22 + test/data/setup_pointsprings_invalid.json | 21 + test/test1.c | 195 - test/test_all.c | 618 ++ 32 files changed, 36651 insertions(+), 245 deletions(-) create mode 100644 test/data/BACE_4_lig.json create mode 100644 test/data/BACE_4_lig_2models_close.pdb create mode 100644 test/data/BACE_4_lig_2models_far.pdb create mode 100644 test/data/BACE_4_lig_far.pdb create mode 100644 test/data/BACE_4_rec.pdb create mode 100644 test/data/BACE_4_rec.psf create mode 100644 test/data/BACE_4_rec_2models.pdb create mode 100644 test/data/BACE_4_rec_parm.prm create mode 100644 test/data/BACE_4_rec_pdbamino.rtf create mode 100644 test/data/noe.json create mode 100644 test/data/pairsprings.txt create mode 100644 test/data/pairsprings_invalid.txt create mode 100644 test/data/pointsprings.txt create mode 100644 test/data/pointsprings_xl.txt create mode 100644 test/data/pointsprings_xl_invalid.txt create mode 100644 test/data/setup_all.json create mode 100644 test/data/setup_fixed_flag.json create mode 100644 test/data/setup_fixed_json.json create mode 100644 test/data/setup_noe.json create mode 100644 test/data/setup_noe_invalid.json create mode 100644 test/data/setup_pairsprings.json create mode 100644 test/data/setup_pairsprings_invalid.json create mode 100644 test/data/setup_pointsprings.json create mode 100644 test/data/setup_pointsprings_invalid.json delete mode 100644 test/test1.c create mode 100644 test/test_all.c diff --git a/src/minimize.c b/src/minimize.c index 8e9ff30..6047ea6 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -66,11 +66,11 @@ int main(int argc, char **argv) { json_t* json_log_total = json_array(); - for (int modeli = 0; modeli < ag_list->size; modeli++) { - INFO_MSG("Started model %i\n", modeli); + for (size_t modeli = 0; modeli < ag_list->size; modeli++) { + INFO_MSG("Started model %zu\n", modeli); if (ag_list->size > 1) { - fprintf(out_pdb, "MODEL %i\n", (modeli + 1)); + fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); } json_t* json_log_model = json_object(); @@ -152,7 +152,7 @@ static lbfgsfloatval_t energy_func( const double *restrict array, double *restrict gradient, const int array_size, - const lbfgsfloatval_t step) { + __attribute__((unused)) lbfgsfloatval_t step) { lbfgsfloatval_t total_energy = 0.0; lbfgsfloatval_t term_energy = 0.0; @@ -165,7 +165,7 @@ static lbfgsfloatval_t energy_func( json_t* energy_dict = json_object(); if (array != NULL) { - assert(array_size == energy_prm->ag->active_atoms->size * 3); + assert((size_t)array_size == energy_prm->ag->active_atoms->size * 3); mol_atom_group_set_actives(energy_prm->ag, array); } diff --git a/src/parse_options.c b/src/parse_options.c index f7781a3..c882b26 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -17,7 +17,7 @@ *dash_pos = '-'; \ }; \ if (strcmp(dot_pos, long_options[option_index].name) == 0) { \ - arg = value; \ + (arg) = (value); \ break; \ } \ } while (0) @@ -30,6 +30,8 @@ struct options get_defaut_options() .out_json = "out.json", .separate = false, + .rec_natoms = 0, + .lig_natoms = 0, .psf = NULL, .prm = NULL, diff --git a/src/parse_options.h b/src/parse_options.h index 3b22612..015f544 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -65,7 +65,7 @@ struct options { }; -struct options get_defaut_options(); +struct options get_defaut_options(void); struct options parse_args(const int argc, char *const *argv, bool *error); diff --git a/src/potentials.c b/src/potentials.c index 364ba39..3d4e384 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -7,11 +7,11 @@ #define READ_WORD(f, word, line) do { \ - word = NULL; \ + (word) = NULL; \ while (fgets(line, 512, f) != NULL) { \ - if (line[0] != '#') { \ - word = strtok(line, " \t\n"); \ - if (word == NULL || word[0] == '#') { \ + if ((line)[0] != '#') { \ + (word) = strtok((line), " \t\n"); \ + if ((word) == NULL || (word)[0] == '#') { \ ERR_MSG("Line cannot be empty\n"); \ } \ break; \ @@ -20,9 +20,6 @@ } while(0) -/* - * Create mol_atom_group_list with geometry (if score_only == 1 can be without) - */ static struct mol_atom_group_list *_read_ag_list( char *prm, char *rtf, @@ -35,35 +32,44 @@ static struct mol_atom_group_list *_read_ag_list( struct mol_atom_group_list* ag_list = NULL; struct mol_atom_group* ag_json = NULL; + // Read molecule form json if (json != NULL) { - INFO_MSG("Reading json file %s\n", json); ag_json = mol_read_json(json); + + if (ag_json == NULL) { + ERR_MSG("Failed reading %s", json); + return NULL; + } } + // Read molecule from pdb if (pdb != NULL) { - INFO_MSG("Reading %s\n", pdb); INFO_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); ag_list = mol_read_pdb_models(pdb); + // If not multimodel, try to read as a single model if (ag_list == NULL) { INFO_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file\n", pdb); - struct mol_atom_group* ag = mol_read_pdb(pdb); - if (ag == NULL) { + struct mol_atom_group* ag_single = mol_read_pdb(pdb); + + // If both single and multi-model failed - give up + if (ag_single == NULL) { ERR_MSG("Failed reading %s", pdb); + mol_atom_group_free(ag_json); return NULL; } ag_list = mol_atom_group_list_create(1); - ag_list->members[0] = *ag; - free(ag); + ag_list->members[0] = *ag_single; + free(ag_single); } + // If json was provied too then merge geometry from json and coords from pdb if (ag_json != NULL) { - INFO_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); - // Copy geometry from json to aglist + struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); for (size_t i = 0; i < fin_aglist->size; i++) { @@ -76,27 +82,38 @@ static struct mol_atom_group_list *_read_ag_list( (int) i, pdb, json, (int) ag_list->members[i].natoms, (int) fin_aglist->members[i].natoms); + mol_atom_group_list_free(fin_aglist); + mol_atom_group_list_free(ag_list); + mol_atom_group_free(ag_json); + return NULL; } memcpy(fin_aglist->members[i].coords, ag_list->members[i].coords, sizeof(struct mol_vector3) * ag_list->members[i].natoms); } + mol_atom_group_list_free(ag_list); mol_atom_group_free(ag_json); ag_list = fin_aglist; - } else if (psf != NULL) { - + } else if (psf && prm && rtf) { + // If json wasn't provided read geometry from prm rtf psf INFO_MSG("Reading geometry from %s\n", psf); for (size_t i = 0; i < ag_list->size; i++) { - mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf); + if (!mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf)) { + ERR_MSG("Couldn't fill geometry from psf rtf and prm"); + mol_atom_group_list_free(ag_list); + } } - } else if (score_only != 0) { + } else if (score_only != 0) { + // if they weren't provided, check the score_only flag WRN_MSG("Geometry for the molecule is not provided, computing only non-parametric terms\n"); - } else { + } else { + // Give up if nothing worked ERR_MSG("--json or --psf must be provided with --pdb"); + mol_atom_group_list_free(ag_list); return NULL; } @@ -363,7 +380,7 @@ struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { json_array_foreach(root, counter, spring) { int result = json_unpack( spring, - "{s:f, s:f, s:f, s:i, s:i}", + "{s:F, s:F, s:F, s:i, s:i}", "length", &spring_set[counter].lnspr, "error", &spring_set[counter].erspr, "weight", &spring_set[counter].fkspr, @@ -469,11 +486,11 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { struct pointspring *sprs = sprst->springs; char name[8]; - int aid, naspr; + size_t aid, naspr; double fkspr, X0, Y0, Z0; for (size_t id = 0; id < sprst->nsprings; id++) { - c = fscanf(fp, "%i %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); + c = fscanf(fp, "%zu %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); if (c != 5) { ERR_MSG("Wrong spring file format\n"); fclose(fp); @@ -486,10 +503,10 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { sprs[id].X0 = X0; sprs[id].Y0 = Y0; sprs[id].Z0 = Z0; - sprs[id].laspr = calloc(naspr, sizeof(int)); + sprs[id].laspr = calloc(naspr, sizeof(size_t)); for (int i = 0; i < naspr; i++) { - c = fscanf(fp, "%i %s", &aid, name); + c = fscanf(fp, "%zu %s", &aid, name); if (c != 2) { ERR_MSG("Wrong spring file format\n"); @@ -517,41 +534,43 @@ struct pointsprings_setup *pointsprings_setup_read_json(json_t* root) size_t nsprings = json_array_size(root); struct pointspring *sprs = calloc(nsprings, sizeof(struct pointspring)); - size_t counter; + size_t spring_counter; json_t* spring; - json_array_foreach(root, counter, spring) { - int result = json_unpack( + json_array_foreach(root, spring_counter, spring) { + struct pointspring* cur_spring = &sprs[spring_counter]; + + int code = json_unpack( spring, - "{s:f, s:[fff], s:f}", - "weight", &sprs[counter].fkspr, - "coords", &sprs[counter].X0, &sprs[counter].Y0, &sprs[counter].Z0); - if (result != 0) { - ERR_MSG("lj"); + "{s:F, s:[F,F,F]}", + "weight", &cur_spring->fkspr, + "coords", &cur_spring->X0, &cur_spring->Y0, &cur_spring->Z0); + if (code != 0) { + ERR_MSG("Spring"); free(sprs); return NULL; } - json_t* atoms = json_object_get(root, "atoms"); + json_t* atoms = json_object_get(spring, "atoms"); if (!atoms || !json_is_array(atoms)) { - ERR_MSG("lj"); + ERR_MSG("Can't read atoms"); free(sprs); return NULL; } - sprs[counter].naspr = json_array_size(atoms); - sprs[counter].laspr = calloc(sprs[counter].naspr, sizeof(int)); + cur_spring->naspr = json_array_size(atoms); + cur_spring->laspr = calloc(cur_spring->naspr, sizeof(size_t)); size_t atom_counter; json_t* atom_id; + json_array_foreach(atoms, atom_counter, atom_id) { if (!json_is_integer(atom_id)) { - ERR_MSG("ASDFSD"); for (size_t i = 0; i < nsprings; i++) { free(sprs[i].laspr); } free(sprs); return NULL; } - sprs[counter].laspr[atom_counter] = json_integer_value(atom_id); + cur_spring->laspr[atom_counter] = json_integer_value(atom_id); } } @@ -672,7 +691,6 @@ struct noe_setup *noe_setup_read_txt(char *sfile) { } nmr->spec->exp = mol_noe_matrix_read_txt_stacked(matrix_path, groups->ngroups, mask); nmr->weight = weight; - nmr->power = 1./ 6.; return nmr; } @@ -688,7 +706,9 @@ struct noe_setup *noe_setup_read_json(json_t* root) { struct noe_setup* result = calloc(1, sizeof(struct noe_setup)); result->spec = noe; - int code = json_unpack(root, "{s:f, s:f}", "weight", &result->weight, "power", &result->power); + mol_noe_alloc_grad(noe); + + int code = json_unpack(root, "{s:F, s:F}", "weight", &result->weight, "power", &result->power); if (code != 0) { ERR_MSG("Couldn't parse NOE weight and power"); noe_setup_free(&result); @@ -704,7 +724,14 @@ struct noe_setup *noe_setup_read_json_file(char* file) { if (!root) { return NULL; } - return noe_setup_read_json(root); + + struct noe_setup* result = noe_setup_read_json(root); + if (!result) { + json_decref(root); + return NULL; + } + + return result; } diff --git a/src/potentials.h b/src/potentials.h index 12e9e5d..a716301 100644 --- a/src/potentials.h +++ b/src/potentials.h @@ -13,6 +13,7 @@ #include "parse_options.h" + struct energy_prm { struct mol_atom_group *ag; struct agsetup *ag_setup; diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index ec6f3ed..e60a758 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -1,6 +1,7 @@ link_directories(${CHECK_LIBRARY_DIRS}) -set(tests_list test1) +set(tests_list + test_all) # Configure data files file(GLOB test_files "${CMAKE_CURRENT_SOURCE_DIR}/data/*") diff --git a/test/data/BACE_4_lig.json b/test/data/BACE_4_lig.json new file mode 100644 index 0000000..4cdb318 --- /dev/null +++ b/test/data/BACE_4_lig.json @@ -0,0 +1,2479 @@ +{ + "angles": [ + { + "atom1": 1, + "atom2": 2, + "atom3": 3, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 1, + "atom2": 2, + "atom3": 19, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 2, + "atom2": 3, + "atom3": 4, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 2, + "atom2": 19, + "atom3": 18, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 3, + "atom2": 2, + "atom3": 19, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 3, + "atom2": 4, + "atom3": 5, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 4, + "atom2": 5, + "atom3": 6, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 5, + "atom2": 6, + "atom3": 7, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 6, + "atom2": 7, + "atom3": 8, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 7, + "atom2": 8, + "atom3": 9, + "spring_constant": 67.78, + "theta": 108.42 + }, + { + "atom1": 8, + "atom2": 9, + "atom3": 10, + "spring_constant": 62.39, + "theta": 112.45 + }, + { + "atom1": 9, + "atom2": 10, + "atom3": 11, + "spring_constant": 68.03, + "theta": 109.82 + }, + { + "atom1": 10, + "atom2": 11, + "atom3": 12, + "spring_constant": 68.03, + "theta": 123.11 + }, + { + "atom1": 10, + "atom2": 11, + "atom3": 13, + "spring_constant": 67.86, + "theta": 115.15 + }, + { + "atom1": 11, + "atom2": 13, + "atom3": 14, + "spring_constant": 63.92, + "theta": 121.35 + }, + { + "atom1": 11, + "atom2": 13, + "atom3": 38, + "spring_constant": 63.92, + "theta": 121.35 + }, + { + "atom1": 12, + "atom2": 11, + "atom3": 13, + "spring_constant": 75.83, + "theta": 122.03 + }, + { + "atom1": 13, + "atom2": 14, + "atom3": 15, + "spring_constant": 66.67, + "theta": 111.56 + }, + { + "atom1": 13, + "atom2": 14, + "atom3": 37, + "spring_constant": 65.85, + "theta": 112.13 + }, + { + "atom1": 14, + "atom2": 13, + "atom3": 38, + "spring_constant": 63.13, + "theta": 115.56 + }, + { + "atom1": 14, + "atom2": 15, + "atom3": 16, + "spring_constant": 68.03, + "theta": 123.11 + }, + { + "atom1": 14, + "atom2": 15, + "atom3": 17, + "spring_constant": 67.86, + "theta": 115.15 + }, + { + "atom1": 15, + "atom2": 14, + "atom3": 37, + "spring_constant": 63.79, + "theta": 110.53 + }, + { + "atom1": 15, + "atom2": 17, + "atom3": 18, + "spring_constant": 63.92, + "theta": 121.35 + }, + { + "atom1": 15, + "atom2": 17, + "atom3": 39, + "spring_constant": 49.21, + "theta": 118.46 + }, + { + "atom1": 16, + "atom2": 15, + "atom3": 17, + "spring_constant": 75.83, + "theta": 122.03 + }, + { + "atom1": 17, + "atom2": 18, + "atom3": 19, + "spring_constant": 65.85, + "theta": 112.13 + }, + { + "atom1": 17, + "atom2": 18, + "atom3": 20, + "spring_constant": 65.85, + "theta": 112.13 + }, + { + "atom1": 18, + "atom2": 17, + "atom3": 39, + "spring_constant": 46.04, + "theta": 116.78 + }, + { + "atom1": 18, + "atom2": 20, + "atom3": 21, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 18, + "atom2": 20, + "atom3": 36, + "spring_constant": 67.72, + "theta": 109.43 + }, + { + "atom1": 19, + "atom2": 18, + "atom3": 20, + "spring_constant": 63.21, + "theta": 110.63 + }, + { + "atom1": 20, + "atom2": 21, + "atom3": 22, + "spring_constant": 64.45, + "theta": 114.32 + }, + { + "atom1": 20, + "atom2": 36, + "atom3": 42, + "spring_constant": 47.09, + "theta": 108.16 + }, + { + "atom1": 21, + "atom2": 20, + "atom3": 36, + "spring_constant": 67.72, + "theta": 109.43 + }, + { + "atom1": 21, + "atom2": 22, + "atom3": 23, + "spring_constant": 62.84, + "theta": 110.64 + }, + { + "atom1": 21, + "atom2": 22, + "atom3": 40, + "spring_constant": 46.19, + "theta": 110.11 + }, + { + "atom1": 21, + "atom2": 22, + "atom3": 41, + "spring_constant": 46.19, + "theta": 110.11 + }, + { + "atom1": 22, + "atom2": 23, + "atom3": 24, + "spring_constant": 68.88, + "theta": 101.51 + }, + { + "atom1": 22, + "atom2": 23, + "atom3": 25, + "spring_constant": 68.88, + "theta": 101.51 + }, + { + "atom1": 22, + "atom2": 23, + "atom3": 26, + "spring_constant": 64.87, + "theta": 114.54 + }, + { + "atom1": 23, + "atom2": 22, + "atom3": 40, + "spring_constant": 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"spring_constant": 3.625 + }, + { + "atom1": 31, + "atom2": 26, + "atom3": 27, + "atom4": 28, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 23, + "atom2": 26, + "atom3": 31, + "atom4": 30, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 27, + "atom2": 26, + "atom3": 31, + "atom4": 30, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 26, + "atom2": 27, + "atom3": 28, + "atom4": 29, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 27, + "atom2": 28, + "atom3": 29, + "atom4": 30, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 28, + "atom2": 29, + "atom3": 30, + "atom4": 31, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 28, + "atom2": 29, + "atom3": 30, + "atom4": 32, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 29, + "atom2": 30, + "atom3": 31, + "atom4": 26, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + }, + { + "atom1": 32, + "atom2": 30, + "atom3": 31, + "atom4": 26, + "delta_constant": 180.0, + "minima": 2, + "spring_constant": 3.625 + } + ], + "version": 1 +} \ No newline at end of file diff --git a/test/data/BACE_4_lig_2models_close.pdb b/test/data/BACE_4_lig_2models_close.pdb new file mode 100644 index 0000000..63081fe --- /dev/null +++ b/test/data/BACE_4_lig_2models_close.pdb @@ -0,0 +1,88 @@ +MODEL 1 +ATOM 3599 C1 X 1 26.816 1.943 23.790 0.00 0.00 C +ATOM 3600 C2 X 1 26.033 3.262 23.893 0.00 0.00 C +ATOM 3601 C3 X 1 26.973 4.457 23.711 0.00 0.00 C +ATOM 3602 C4 X 1 27.517 4.979 25.045 0.00 0.00 C +ATOM 3603 C5 X 1 27.276 6.491 25.181 0.00 0.00 C +ATOM 3604 C6 X 1 27.598 7.261 23.889 0.00 0.00 C +ATOM 3605 C7 X 1 26.611 8.423 23.706 0.00 0.00 C +ATOM 3606 C8 X 1 26.788 9.059 22.321 0.00 0.00 C +ATOM 3607 O1 X 1 25.880 8.439 21.393 0.00 0.00 O +ATOM 3608 C9 X 1 26.207 8.755 20.026 0.00 0.00 C +ATOM 3609 C10 X 1 25.194 8.137 19.086 0.00 0.00 C +ATOM 3610 O2 X 1 24.347 8.805 18.528 0.00 0.00 O +ATOM 3611 N1 X 1 25.268 6.802 18.889 0.00 0.00 N +ATOM 3612 C11 X 1 26.353 5.969 19.421 0.00 0.00 C +ATOM 3613 C12 X 1 25.938 4.922 20.432 0.00 0.00 C +ATOM 3614 O3 X 1 26.466 3.828 20.437 0.00 0.00 O +ATOM 3615 N2 X 1 24.958 5.317 21.286 0.00 0.00 N +ATOM 3616 C13 X 1 24.305 4.572 22.389 0.00 0.00 C +ATOM 3617 C14 X 1 24.923 3.235 22.833 0.00 0.00 C +ATOM 3618 C15 X 1 22.838 4.271 22.043 0.00 0.00 C +ATOM 3619 C16 X 1 21.935 5.508 22.118 0.00 0.00 C +ATOM 3620 N3 X 1 22.481 6.776 21.529 0.00 0.00 N +ATOM 3621 C17 X 1 21.413 7.789 21.219 0.00 0.00 C +ATOM 3622 C18 X 1 20.533 7.903 22.428 0.00 0.00 C +ATOM 3623 C19 X 1 21.666 8.867 22.228 0.00 0.00 C +ATOM 3624 C20 X 1 21.017 8.021 19.806 0.00 0.00 C +ATOM 3625 C21 X 1 20.226 7.080 19.128 0.00 0.00 C +ATOM 3626 C22 X 1 19.880 7.266 17.782 0.00 0.00 C +ATOM 3627 C23 X 1 20.325 8.423 17.130 0.00 0.00 C +ATOM 3628 C24 X 1 21.112 9.383 17.797 0.00 0.00 C +ATOM 3629 C25 X 1 21.441 9.183 19.149 0.00 0.00 C +ATOM 3630 C26 X 1 21.606 10.624 17.041 0.00 0.00 C +ATOM 3631 C27 X 1 22.623 10.211 15.963 0.00 0.00 C +ATOM 3632 C28 X 1 20.433 11.343 16.352 0.00 0.00 C +ATOM 3633 C29 X 1 22.300 11.659 17.952 0.00 0.00 C +ATOM 3634 O4 X 1 22.764 3.698 20.739 0.00 0.00 O +ATOM 3635 C30 X 1 27.288 5.397 18.346 0.00 0.00 C +ATOM 3636 C31 X 1 24.252 6.101 18.096 0.00 0.00 C +ATOM 3637 H20 X 1 24.613 6.256 21.162 0.00 0.00 H +ATOM 3638 H27 X 1 22.985 6.560 20.658 0.00 0.00 H +ATOM 3639 H28 X 1 23.177 7.179 22.175 0.00 0.00 H +ATOM 3640 H46 X 1 23.029 4.374 20.091 0.00 0.00 H +ENDMDL +MODEL 2 +ATOM 3599 C1 X 1 26.816 1.943 23.790 0.00 0.00 C +ATOM 3600 C2 X 1 26.033 3.262 23.893 0.00 0.00 C +ATOM 3601 C3 X 1 26.973 4.457 23.711 0.00 0.00 C +ATOM 3602 C4 X 1 27.517 4.979 25.045 0.00 0.00 C +ATOM 3603 C5 X 1 27.276 6.491 25.181 0.00 0.00 C +ATOM 3604 C6 X 1 27.598 7.261 23.889 0.00 0.00 C +ATOM 3605 C7 X 1 26.611 8.423 23.706 0.00 0.00 C +ATOM 3606 C8 X 1 26.788 9.059 22.321 0.00 0.00 C +ATOM 3607 O1 X 1 25.880 8.439 21.393 0.00 0.00 O +ATOM 3608 C9 X 1 26.207 8.755 20.026 0.00 0.00 C +ATOM 3609 C10 X 1 25.194 8.137 19.086 0.00 0.00 C +ATOM 3610 O2 X 1 24.347 8.805 18.528 0.00 0.00 O +ATOM 3611 N1 X 1 25.268 6.802 18.889 0.00 0.00 N +ATOM 3612 C11 X 1 26.353 5.969 19.421 0.00 0.00 C +ATOM 3613 C12 X 1 25.938 4.922 20.432 0.00 0.00 C +ATOM 3614 O3 X 1 26.466 3.828 20.437 0.00 0.00 O +ATOM 3615 N2 X 1 24.958 5.317 21.286 0.00 0.00 N +ATOM 3616 C13 X 1 24.305 4.572 22.389 0.00 0.00 C +ATOM 3617 C14 X 1 24.923 3.235 22.833 0.00 0.00 C +ATOM 3618 C15 X 1 22.838 4.271 22.043 0.00 0.00 C +ATOM 3619 C16 X 1 21.935 5.508 22.118 0.00 0.00 C +ATOM 3620 N3 X 1 22.481 6.776 21.529 0.00 0.00 N +ATOM 3621 C17 X 1 21.413 7.789 21.219 0.00 0.00 C +ATOM 3622 C18 X 1 20.533 7.903 22.428 0.00 0.00 C +ATOM 3623 C19 X 1 21.666 8.867 22.228 0.00 0.00 C +ATOM 3624 C20 X 1 21.017 8.021 19.806 0.00 0.00 C +ATOM 3625 C21 X 1 20.226 7.080 19.128 0.00 0.00 C +ATOM 3626 C22 X 1 19.880 7.266 17.782 0.00 0.00 C +ATOM 3627 C23 X 1 20.325 8.423 17.130 0.00 0.00 C +ATOM 3628 C24 X 1 21.112 9.383 17.797 0.00 0.00 C +ATOM 3629 C25 X 1 21.441 9.183 19.149 0.00 0.00 C +ATOM 3630 C26 X 1 21.606 10.624 17.041 0.00 0.00 C +ATOM 3631 C27 X 1 22.623 10.211 15.963 0.00 0.00 C +ATOM 3632 C28 X 1 20.433 11.343 16.352 0.00 0.00 C +ATOM 3633 C29 X 1 22.300 11.659 17.952 0.00 0.00 C +ATOM 3634 O4 X 1 22.764 3.698 20.739 0.00 0.00 O +ATOM 3635 C30 X 1 27.288 5.397 18.346 0.00 0.00 C +ATOM 3636 C31 X 1 24.252 6.101 18.096 0.00 0.00 C +ATOM 3637 H20 X 1 24.613 6.256 21.162 0.00 0.00 H +ATOM 3638 H27 X 1 22.985 6.560 20.658 0.00 0.00 H +ATOM 3639 H28 X 1 23.177 7.179 22.175 0.00 0.00 H +ATOM 3640 H46 X 1 23.029 4.374 20.091 0.00 0.00 H +ENDMDL diff --git a/test/data/BACE_4_lig_2models_far.pdb b/test/data/BACE_4_lig_2models_far.pdb new file mode 100644 index 0000000..725c02a --- /dev/null +++ b/test/data/BACE_4_lig_2models_far.pdb @@ -0,0 +1,88 @@ +MODEL 1 +ATOM 3599 C1 LIG X 1 18.417 38.503 -9.803 0.00 3.00 C +ATOM 3600 C2 LIG X 1 18.971 39.106 -8.501 0.00 3.00 C +ATOM 3601 C3 LIG X 1 19.956 38.097 -7.847 0.00 3.00 C +ATOM 3602 C4 LIG X 1 21.180 38.727 -7.169 0.00 3.00 C +ATOM 3603 C5 LIG X 1 20.832 39.687 -6.033 0.00 3.00 C +ATOM 3604 C6 LIG X 1 22.084 40.230 -5.357 0.00 3.00 C +ATOM 3605 C7 LIG X 1 21.772 41.125 -4.150 0.00 3.00 C +ATOM 3606 C8 LIG X 1 20.829 42.287 -4.440 0.00 3.00 C +ATOM 3607 O1 LIG X 1 21.376 43.106 -5.475 0.00 2.00 O +ATOM 3608 C9 LIG X 1 20.618 44.287 -5.685 0.00 3.00 C +ATOM 3609 C10 LIG X 1 19.282 44.085 -6.429 0.00 3.00 C +ATOM 3610 O2 LIG X 1 18.238 43.869 -5.806 0.00 3.00 O +ATOM 3611 N1 LIG X 1 19.289 44.131 -7.818 0.00 3.00 N +ATOM 3612 C11 LIG X 1 17.990 44.226 -8.534 0.00 3.00 C +ATOM 3613 C12 LIG X 1 17.334 42.871 -8.891 0.00 3.00 C +ATOM 3614 O3 LIG X 1 16.488 42.765 -9.776 0.00 3.00 O +ATOM 3615 N2 LIG X 1 17.667 41.834 -8.045 0.00 3.00 N +ATOM 3616 C13 LIG X 1 16.878 40.596 -7.986 0.00 3.00 C +ATOM 3617 C14 LIG X 1 17.796 39.435 -7.535 0.00 3.00 C +ATOM 3618 C15 LIG X 1 15.660 40.828 -7.036 0.00 3.00 C +ATOM 3619 C16 LIG X 1 14.729 39.608 -6.890 0.00 3.00 C +ATOM 3620 N3 LIG X 1 14.069 39.241 -8.142 0.00 3.00 N +ATOM 3621 C17 LIG X 1 12.674 39.663 -8.374 0.00 3.00 C +ATOM 3622 C18 LIG X 1 11.630 39.324 -7.323 0.00 2.00 C +ATOM 3623 C19 LIG X 1 11.999 40.762 -7.574 0.00 2.00 C +ATOM 3624 C20 LIG X 1 12.275 39.550 -9.846 0.00 3.00 C +ATOM 3625 C21 LIG X 1 12.579 40.568 -10.760 0.00 3.00 C +ATOM 3626 C22 LIG X 1 12.200 40.480 -12.098 0.00 3.00 C +ATOM 3627 C23 LIG X 1 11.514 39.356 -12.559 0.00 3.00 C +ATOM 3628 C24 LIG X 1 11.194 38.296 -11.697 0.00 3.00 C +ATOM 3629 C25 LIG X 1 11.593 38.426 -10.349 0.00 3.00 C +ATOM 3630 C26 LIG X 1 10.437 37.039 -12.164 0.00 3.00 C +ATOM 3631 C27 LIG X 1 10.126 37.019 -13.677 0.00 2.00 C +ATOM 3632 C28 LIG X 1 11.282 35.780 -11.864 0.00 3.00 C +ATOM 3633 C29 LIG X 1 9.090 36.937 -11.413 0.00 3.00 C +ATOM 3634 O4 LIG X 1 16.137 41.178 -5.720 0.00 3.00 O +ATOM 3635 C30 LIG X 1 18.068 45.120 -9.770 0.00 3.00 C +ATOM 3636 C31 LIG X 1 20.480 43.832 -8.611 0.00 3.00 C +ATOM 3637 H20 LIG X 1 18.456 41.925 -7.464 0.00 2.00 H +ATOM 3638 H27 LIG X 1 14.085 38.222 -8.199 0.00 2.00 H +ATOM 3639 H28 LIG X 1 14.597 39.749 -8.852 0.00 2.00 H +ATOM 3640 H46 LIG X 1 16.648 40.439 -5.354 0.00 2.00 H +ENDMDL +MODEL 2 +ATOM 3599 C1 LIG X 1 18.417 38.503 -9.803 0.00 3.00 C +ATOM 3600 C2 LIG X 1 18.971 39.106 -8.501 0.00 3.00 C +ATOM 3601 C3 LIG X 1 19.956 38.097 -7.847 0.00 3.00 C +ATOM 3602 C4 LIG X 1 21.180 38.727 -7.169 0.00 3.00 C +ATOM 3603 C5 LIG X 1 20.832 39.687 -6.033 0.00 3.00 C +ATOM 3604 C6 LIG X 1 22.084 40.230 -5.357 0.00 3.00 C +ATOM 3605 C7 LIG X 1 21.772 41.125 -4.150 0.00 3.00 C +ATOM 3606 C8 LIG X 1 20.829 42.287 -4.440 0.00 3.00 C +ATOM 3607 O1 LIG X 1 21.376 43.106 -5.475 0.00 2.00 O +ATOM 3608 C9 LIG X 1 20.618 44.287 -5.685 0.00 3.00 C +ATOM 3609 C10 LIG X 1 19.282 44.085 -6.429 0.00 3.00 C +ATOM 3610 O2 LIG X 1 18.238 43.869 -5.806 0.00 3.00 O +ATOM 3611 N1 LIG X 1 19.289 44.131 -7.818 0.00 3.00 N +ATOM 3612 C11 LIG X 1 17.990 44.226 -8.534 0.00 3.00 C +ATOM 3613 C12 LIG X 1 17.334 42.871 -8.891 0.00 3.00 C +ATOM 3614 O3 LIG X 1 16.488 42.765 -9.776 0.00 3.00 O +ATOM 3615 N2 LIG X 1 17.667 41.834 -8.045 0.00 3.00 N +ATOM 3616 C13 LIG X 1 16.878 40.596 -7.986 0.00 3.00 C +ATOM 3617 C14 LIG X 1 17.796 39.435 -7.535 0.00 3.00 C +ATOM 3618 C15 LIG X 1 15.660 40.828 -7.036 0.00 3.00 C +ATOM 3619 C16 LIG X 1 14.729 39.608 -6.890 0.00 3.00 C +ATOM 3620 N3 LIG X 1 14.069 39.241 -8.142 0.00 3.00 N +ATOM 3621 C17 LIG X 1 12.674 39.663 -8.374 0.00 3.00 C +ATOM 3622 C18 LIG X 1 11.630 39.324 -7.323 0.00 2.00 C +ATOM 3623 C19 LIG X 1 11.999 40.762 -7.574 0.00 2.00 C +ATOM 3624 C20 LIG X 1 12.275 39.550 -9.846 0.00 3.00 C +ATOM 3625 C21 LIG X 1 12.579 40.568 -10.760 0.00 3.00 C +ATOM 3626 C22 LIG X 1 12.200 40.480 -12.098 0.00 3.00 C +ATOM 3627 C23 LIG X 1 11.514 39.356 -12.559 0.00 3.00 C +ATOM 3628 C24 LIG X 1 11.194 38.296 -11.697 0.00 3.00 C +ATOM 3629 C25 LIG X 1 11.593 38.426 -10.349 0.00 3.00 C +ATOM 3630 C26 LIG X 1 10.437 37.039 -12.164 0.00 3.00 C +ATOM 3631 C27 LIG X 1 10.126 37.019 -13.677 0.00 2.00 C +ATOM 3632 C28 LIG X 1 11.282 35.780 -11.864 0.00 3.00 C +ATOM 3633 C29 LIG X 1 9.090 36.937 -11.413 0.00 3.00 C +ATOM 3634 O4 LIG X 1 16.137 41.178 -5.720 0.00 3.00 O +ATOM 3635 C30 LIG X 1 18.068 45.120 -9.770 0.00 3.00 C +ATOM 3636 C31 LIG X 1 20.480 43.832 -8.611 0.00 3.00 C +ATOM 3637 H20 LIG X 1 18.456 41.925 -7.464 0.00 2.00 H +ATOM 3638 H27 LIG X 1 14.085 38.222 -8.199 0.00 2.00 H +ATOM 3639 H28 LIG X 1 14.597 39.749 -8.852 0.00 2.00 H +ATOM 3640 H46 LIG X 1 16.648 40.439 -5.354 0.00 2.00 H +ENDMDL diff --git a/test/data/BACE_4_lig_far.pdb b/test/data/BACE_4_lig_far.pdb new file mode 100644 index 0000000..1a22c45 --- /dev/null +++ b/test/data/BACE_4_lig_far.pdb @@ -0,0 +1,44 @@ +MODEL 2 +ATOM 3599 C1 LIG X 1 18.417 38.503 -9.803 0.00 3.00 C +ATOM 3600 C2 LIG X 1 18.971 39.106 -8.501 0.00 3.00 C +ATOM 3601 C3 LIG X 1 19.956 38.097 -7.847 0.00 3.00 C +ATOM 3602 C4 LIG X 1 21.180 38.727 -7.169 0.00 3.00 C +ATOM 3603 C5 LIG X 1 20.832 39.687 -6.033 0.00 3.00 C +ATOM 3604 C6 LIG X 1 22.084 40.230 -5.357 0.00 3.00 C +ATOM 3605 C7 LIG X 1 21.772 41.125 -4.150 0.00 3.00 C +ATOM 3606 C8 LIG X 1 20.829 42.287 -4.440 0.00 3.00 C +ATOM 3607 O1 LIG X 1 21.376 43.106 -5.475 0.00 2.00 O +ATOM 3608 C9 LIG X 1 20.618 44.287 -5.685 0.00 3.00 C +ATOM 3609 C10 LIG X 1 19.282 44.085 -6.429 0.00 3.00 C +ATOM 3610 O2 LIG X 1 18.238 43.869 -5.806 0.00 3.00 O +ATOM 3611 N1 LIG X 1 19.289 44.131 -7.818 0.00 3.00 N +ATOM 3612 C11 LIG X 1 17.990 44.226 -8.534 0.00 3.00 C +ATOM 3613 C12 LIG X 1 17.334 42.871 -8.891 0.00 3.00 C +ATOM 3614 O3 LIG X 1 16.488 42.765 -9.776 0.00 3.00 O +ATOM 3615 N2 LIG X 1 17.667 41.834 -8.045 0.00 3.00 N +ATOM 3616 C13 LIG X 1 16.878 40.596 -7.986 0.00 3.00 C +ATOM 3617 C14 LIG X 1 17.796 39.435 -7.535 0.00 3.00 C +ATOM 3618 C15 LIG X 1 15.660 40.828 -7.036 0.00 3.00 C +ATOM 3619 C16 LIG X 1 14.729 39.608 -6.890 0.00 3.00 C +ATOM 3620 N3 LIG X 1 14.069 39.241 -8.142 0.00 3.00 N +ATOM 3621 C17 LIG X 1 12.674 39.663 -8.374 0.00 3.00 C +ATOM 3622 C18 LIG X 1 11.630 39.324 -7.323 0.00 2.00 C +ATOM 3623 C19 LIG X 1 11.999 40.762 -7.574 0.00 2.00 C +ATOM 3624 C20 LIG X 1 12.275 39.550 -9.846 0.00 3.00 C +ATOM 3625 C21 LIG X 1 12.579 40.568 -10.760 0.00 3.00 C +ATOM 3626 C22 LIG X 1 12.200 40.480 -12.098 0.00 3.00 C +ATOM 3627 C23 LIG X 1 11.514 39.356 -12.559 0.00 3.00 C +ATOM 3628 C24 LIG X 1 11.194 38.296 -11.697 0.00 3.00 C +ATOM 3629 C25 LIG X 1 11.593 38.426 -10.349 0.00 3.00 C +ATOM 3630 C26 LIG X 1 10.437 37.039 -12.164 0.00 3.00 C +ATOM 3631 C27 LIG X 1 10.126 37.019 -13.677 0.00 2.00 C +ATOM 3632 C28 LIG X 1 11.282 35.780 -11.864 0.00 3.00 C +ATOM 3633 C29 LIG X 1 9.090 36.937 -11.413 0.00 3.00 C +ATOM 3634 O4 LIG X 1 16.137 41.178 -5.720 0.00 3.00 O +ATOM 3635 C30 LIG X 1 18.068 45.120 -9.770 0.00 3.00 C +ATOM 3636 C31 LIG X 1 20.480 43.832 -8.611 0.00 3.00 C +ATOM 3637 H20 LIG X 1 18.456 41.925 -7.464 0.00 2.00 H +ATOM 3638 H27 LIG X 1 14.085 38.222 -8.199 0.00 2.00 H +ATOM 3639 H28 LIG X 1 14.597 39.749 -8.852 0.00 2.00 H +ATOM 3640 H46 LIG X 1 16.648 40.439 -5.354 0.00 2.00 H +ENDMDL diff --git a/test/data/BACE_4_rec.pdb b/test/data/BACE_4_rec.pdb new file mode 100644 index 0000000..2926763 --- /dev/null +++ b/test/data/BACE_4_rec.pdb @@ -0,0 +1,3600 @@ +REMARK original generated coordinate pdb file +ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N +ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H +ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C +ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C +ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C +ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C +ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O +ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O +ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C +ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O +ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N +ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H +ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C +ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C +ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C +ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S +ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C +ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C +ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O +ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N +ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H +ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C +ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C +ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C +ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C +ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C +ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O +ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N +ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H +ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C +ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C +ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C +ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O +ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O +ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C +ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O +ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N +ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H +ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C +ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C +ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C +ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O +ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N +ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H +ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H +ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C +ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O +ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N +ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H +ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C +ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C +ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C +ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C +ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C +ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C +ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O +ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N +ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H +ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C +ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C +ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C +ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C +ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N +ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H +ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C +ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N +ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H +ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H +ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N +ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H +ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H +ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C +ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O +ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N +ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H +ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C +ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C +ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O +ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N +ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H +ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C +ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C +ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C +ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C +ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C +ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N +ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H +ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H +ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H +ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C +ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O +ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N +ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H +ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C +ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C +ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O +ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H +ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C +ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O +ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N +ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H +ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C +ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C +ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O +ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N +ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H +ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C +ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C +ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C +ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C +ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O +ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N +ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H +ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H +ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C +ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O +ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N +ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H +ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C +ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C +ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O +ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N +ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H +ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C +ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C +ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C +ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C +ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C +ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C +ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C +ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C +ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O +ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H +ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C +ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O +ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N +ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H +ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C +ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C +ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C +ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C +ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C +ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C +ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C +ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C +ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O +ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H +ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C +ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O +ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N +ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H +ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C +ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C +ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C +ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C +ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C +ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O +ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N +ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H +ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C +ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C +ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C +ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C +ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O +ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O +ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C +ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O +ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N +ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H +ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C +ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C +ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C +ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S +ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C +ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C +ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O +ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N +ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H +ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C +ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C +ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O +ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H +ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C +ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C +ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O +ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N +ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H +ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C +ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C +ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C +ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C +ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C +ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O +ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N +ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H +ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C +ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C +ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O +ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N +ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H +ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C +ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C +ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O +ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H +ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C +ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O +ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N +ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C +ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C +ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C +ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C +ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C +ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O +ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N +ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C +ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C +ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C +ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C +ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C +ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O +ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N +ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H +ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C +ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C +ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C +ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C +ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O +ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N +ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H +ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H +ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C +ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O +ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N +ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H +ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C +ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C +ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O +ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H +ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C +ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C +ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O +ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N +ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H +ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C +ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C +ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C +ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C +ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C +ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C +ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O +ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N +ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H +ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C +ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C +ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C +ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O +ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N +ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H +ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H +ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C +ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O +ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N +ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H +ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C +ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C +ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C +ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C +ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C +ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C +ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O +ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N +ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H +ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C +ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C +ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C +ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C +ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C +ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C +ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O +ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N +ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H +ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C +ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C +ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C +ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C +ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C +ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O +ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N +ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H +ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C +ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C +ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C +ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O +ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O +ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C +ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O +ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N +ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H +ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C +ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C +ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O +ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H +ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C +ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C +ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O +ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N +ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H +ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C +ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C +ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O +ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N +ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H +ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C +ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C +ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O +ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H +ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C +ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O +ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N +ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H +ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C +ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C +ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O +ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H +ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C +ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O +ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N +ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H +ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C +ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C +ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C +ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O +ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N +ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H +ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H +ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C +ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O +ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N +ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H +ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C +ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C +ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C +ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C +ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C +ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C +ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C +ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C +ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C +ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O +ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N +ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H +ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C +ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C +ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C +ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O +ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N +ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H +ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C +ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C +ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C +ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C +ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C +ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O +ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N +ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H +ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C +ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C +ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O +ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N +ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H +ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C +ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C +ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C +ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O +ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N +ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H +ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C +ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C +ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C +ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O +ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N +ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C +ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C +ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C +ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C +ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C +ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O +ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N +ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H +ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C +ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C +ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C +ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N +ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H +ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C +ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N +ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C +ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C +ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O +ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N +ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H +ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C +ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C +ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O +ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H +ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C +ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O +ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N +ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C +ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C +ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C +ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C +ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C +ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O +ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N +ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H +ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C +ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C +ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C +ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C +ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C +ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C +ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C +ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C +ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C +ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O +ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N +ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H +ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C +ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C +ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C +ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C +ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C +ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C +ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C +ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C +ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C +ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O +ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N +ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H +ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C +ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C +ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C +ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C +ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C +ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O +ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N +ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H +ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C +ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C +ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C +ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C +ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C +ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C +ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O +ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N +ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H +ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C +ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C +ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C +ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N +ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H +ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C +ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N +ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C +ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C +ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O +ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N +ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H +ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C +ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C +ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C +ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C +ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N +ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H +ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C +ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N +ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H +ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H +ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N +ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H +ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H +ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C +ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O +ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N +ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H +ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C +ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C +ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C +ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C +ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C +ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C +ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C +ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C +ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O +ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H +ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C +ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O +ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N +ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H +ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C +ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C +ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C +ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C +ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C +ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C +ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C +ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C +ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O +ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H +ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C +ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O +ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N +ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H +ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C +ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C +ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C +ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C +ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O +ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N +ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H +ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H +ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C +ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O +ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N +ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H +ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C +ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C +ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C +ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C +ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N +ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H +ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C +ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N +ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H +ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H +ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N +ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H +ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H +ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C +ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O +ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N +ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H +ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C +ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C +ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C +ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C +ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O +ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N +ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H +ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H +ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C +ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O +ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N +ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H +ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C +ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C +ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C +ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C +ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C +ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C +ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O +ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N +ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H +ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C +ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C +ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O +ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H +ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C +ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O +ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N +ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H +ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C +ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C +ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O +ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H +ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C +ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O +ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N +ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H +ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C +ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C +ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O +ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H +ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C +ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C +ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O +ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N +ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H +ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C +ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C +ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C +ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C +ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C +ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C +ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C +ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C +ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O +ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H +ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C +ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O +ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N +ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H +ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C +ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C +ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C +ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C +ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N +ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H +ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C +ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N +ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H +ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H +ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N +ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H +ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H +ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C +ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O +ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N +ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H +ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C +ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C +ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C +ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O +ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O +ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C +ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O +ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N +ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H +ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C +ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C +ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C +ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C +ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C +ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C +ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O +ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N +ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H +ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C +ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C +ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C +ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C +ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N +ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H +ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C +ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N +ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H +ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H +ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N +ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H +ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H +ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C +ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O +ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N +ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H +ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C +ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C +ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C +ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C +ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C +ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N +ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H +ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H +ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H +ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C +ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O +ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N +ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H +ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C +ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C +ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O +ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N +ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H +ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C +ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C +ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C +ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C +ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C +ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O +ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N +ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H +ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C +ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C +ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C +ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C +ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C +ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C +ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C +ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C +ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O +ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H +ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C +ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O +ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N +ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H +ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C +ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C +ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C +ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C +ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C +ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O +ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N +ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C +ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C +ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C +ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C +ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C +ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O +ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N +ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H +ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C +ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C +ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C +ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C +ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C +ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C +ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C +ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C +ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O +ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H +ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C +ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O +ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N +ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H +ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C +ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C +ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O +ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H +ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C +ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C +ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O +ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N +ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H +ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C +ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C +ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C +ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C +ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O +ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N +ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H +ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H +ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C +ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O +ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N +ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H +ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C +ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C +ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O +ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N +ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H +ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C +ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C +ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C +ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C +ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C +ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N +ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H +ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H +ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H +ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C +ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O +ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N +ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H +ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C +ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C +ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C +ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C +ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C +ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C +ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C +ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N +ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H +ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C +ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C +ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C +ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C +ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O +ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N +ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H +ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C +ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C +ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C +ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C +ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O +ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O +ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C +ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O +ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N +ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H +ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C +ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C +ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O +ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N +ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H +ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C +ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C +ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C +ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C +ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O +ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O +ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C +ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O +ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N +ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H +ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C +ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C +ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C +ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C +ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C +ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C +ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O +ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N +ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H +ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C +ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C +ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O +ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N +ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H +ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C +ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C +ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O +ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H +ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C +ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C +ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O +ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N +ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H +ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C +ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C +ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C +ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O +ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O +ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C +ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O +ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N +ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H +ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C +ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C +ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C +ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C +ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C +ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C +ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O +ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N +ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H +ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C +ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C +ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C +ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C +ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C +ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O +ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N +ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H +ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C +ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C +ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O +ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H +ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C +ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O +ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N +ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H +ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C +ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C +ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C +ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C +ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C +ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C +ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O +ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N +ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C +ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C +ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C +ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C +ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C +ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O +ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N +ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H +ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C +ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C +ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C +ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N +ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H +ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C +ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N +ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C +ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C +ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O +ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N +ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H +ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C +ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C +ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O +ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N +ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C +ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C +ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C +ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C +ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C +ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O +ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N +ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H +ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C +ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C +ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C +ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O +ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N +ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H +ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H +ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C +ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O +ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N +ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H +ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C +ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C +ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C +ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C +ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C +ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O +ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N +ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H +ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C +ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C +ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O +ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H +ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C +ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C +ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O +ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N +ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H +ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C +ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C +ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C +ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C +ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C +ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O +ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N +ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H +ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C +ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C +ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C +ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C +ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N +ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H +ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C +ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N +ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H +ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H +ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N +ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H +ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H +ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C +ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O +ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N +ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H +ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C +ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C +ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C +ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O +ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N +ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H +ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C +ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C +ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C +ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O +ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N +ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H +ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H +ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C +ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O +ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N +ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H +ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C +ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C +ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C +ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C +ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C +ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C +ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O +ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N +ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H +ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C +ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C +ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C +ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O +ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N +ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H +ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C +ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C +ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C +ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O +ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N +ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H +ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C +ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C +ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C +ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C +ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C +ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C +ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O +ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N +ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H +ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C +ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C +ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O +ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H +ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C +ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C +ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O +ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N +ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H +ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C +ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C +ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C +ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C +ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O +ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O +ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C +ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O +ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N +ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H +ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C +ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C +ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O +ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H +ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C +ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O +ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N +ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H +ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C +ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C +ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C +ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O +ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O +ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C +ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O +ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N +ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H +ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C +ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C +ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C +ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C +ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C +ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N +ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H +ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H +ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H +ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C +ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O +ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N +ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H +ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C +ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C +ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C +ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C +ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C +ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C +ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C +ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C +ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C +ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O +ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N +ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H +ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C +ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C +ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C +ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C +ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C +ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C +ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C +ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C +ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C +ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O +ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N +ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H +ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C +ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C +ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C +ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C +ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C +ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C +ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O +ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N +ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H +ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C +ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C +ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C +ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O +ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N +ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H +ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H +ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C +ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O +ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N +ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H +ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C +ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C +ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O +ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N +ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H +ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C +ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C +ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O +ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H +ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C +ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O +ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N +ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H +ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C +ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C +ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C +ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O +ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N +ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H +ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H +ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C +ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O +ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N +ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H +ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C +ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C +ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C +ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C +ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C +ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C +ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C +ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N +ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H +ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C +ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C +ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C +ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C +ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O +ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N +ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H +ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C +ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C +ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C +ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C +ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O +ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O +ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C +ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O +ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N +ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H +ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C +ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C +ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O +ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N +ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H +ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C +ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C +ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C +ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C +ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C +ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C +ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O +ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N +ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H +ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C +ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C +ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C +ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C +ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C +ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C +ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O +ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N +ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H +ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C +ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C +ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O +ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N +ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H +ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C +ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C +ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C +ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C +ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C +ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C +ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O +ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N +ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H +ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C +ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C +ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C +ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O +ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N +ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H +ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C +ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C +ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C +ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C +ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C +ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C +ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C +ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C +ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O +ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H +ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C +ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O +ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N +ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H +ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C +ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C +ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C +ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O +ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N +ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H +ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C +ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C +ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C +ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C +ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O +ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O +ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C +ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O +ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N +ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H +ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C +ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C +ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C +ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C +ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C +ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C +ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O +ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N +ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H +ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C +ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C +ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C +ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O +ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N +ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H +ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C +ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C +ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C +ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C +ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N +ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H +ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C +ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N +ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H +ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H +ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N +ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H +ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H +ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C +ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O +ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N +ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C +ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C +ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C +ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C +ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C +ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O +ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N +ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H +ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C +ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C +ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C +ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O +ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O +ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C +ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O +ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N +ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H +ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C +ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C +ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C +ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O +ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O +ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C +ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O +ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N +ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H +ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C +ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C +ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O +ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H +ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C +ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O +ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N +ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H +ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C +ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C +ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C +ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C +ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C +ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C +ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O +ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N +ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H +ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C +ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C +ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C +ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C +ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O +ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O +ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C +ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O +ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N +ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C +ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C +ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C +ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C +ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C +ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O +ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N +ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H +ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C +ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C +ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C +ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C +ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C +ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C +ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C +ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C +ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C +ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O +ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N +ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H +ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C +ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C +ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C +ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C +ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C +ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C +ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C +ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C +ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C +ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O +ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N +ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H +ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C +ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C +ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C +ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O +ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O +ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C +ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O +ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N +ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H +ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C +ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C +ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O +ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H +ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C +ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O +ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N +ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H +ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C +ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C +ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C +ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C +ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C +ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C +ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O +ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N +ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H +ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C +ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C +ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C +ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C +ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C +ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O +ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N +ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H +ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C +ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C +ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C +ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C +ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C +ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N +ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H +ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H +ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H +ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C +ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O +ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N +ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H +ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C +ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C +ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C +ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C +ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O +ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N +ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H +ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H +ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C +ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O +ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N +ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H +ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C +ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C +ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O +ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H +ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C +ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C +ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O +ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N +ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H +ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C +ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C +ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C +ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N +ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H +ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C +ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N +ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C +ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C +ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O +ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N +ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H +ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C +ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C +ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C +ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C +ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C +ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O +ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N +ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C +ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C +ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C +ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C +ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C +ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O +ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N +ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H +ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C +ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C +ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C +ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O +ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N +ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H +ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H +ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C +ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O +ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N +ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H +ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C +ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C +ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C +ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C +ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C +ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C +ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O +ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N +ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H +ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C +ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C +ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C +ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C +ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C +ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C +ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C +ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C +ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C +ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O +ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N +ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H +ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C +ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C +ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O +ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H +ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C +ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O +ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N +ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H +ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C +ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C +ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C +ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C +ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C +ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C +ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O +ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N +ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H +ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C +ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C +ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C +ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C +ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O +ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N +ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H +ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H +ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C +ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O +ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N +ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H +ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C +ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C +ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C +ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C +ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C +ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C +ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O +ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N +ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H +ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C +ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C +ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S +ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C +ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O +ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N +ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H +ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C +ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C +ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O +ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N +ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H +ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C +ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C +ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C +ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O +ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N +ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H +ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C +ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C +ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O +ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H +ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C +ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O +ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N +ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H +ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C +ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C +ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C +ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C +ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C +ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O +ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N +ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H +ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C +ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C +ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O +ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N +ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H +ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C +ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C +ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O +ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N +ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H +ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C +ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C +ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O +ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H +ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C +ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O +ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N +ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H +ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C +ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C +ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C +ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S +ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C +ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C +ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O +ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N +ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H +ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C +ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C +ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C +ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C +ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C +ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C +ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O +ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N +ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H +ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C +ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C +ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C +ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C +ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C +ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C +ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O +ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N +ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H +ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C +ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C +ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O +ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N +ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H +ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C +ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C +ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O +ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N +ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H +ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C +ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C +ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C +ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C +ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C +ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C +ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O +ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N +ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H +ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C +ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C +ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C +ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O +ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O +ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C +ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O +ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N +ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H +ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C +ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C +ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C +ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N +ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H +ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C +ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N +ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C +ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C +ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O +ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N +ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H +ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C +ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C +ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O +ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H +ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C +ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O +ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N +ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H +ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C +ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C +ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C +ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C +ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C +ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C +ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O +ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N +ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H +ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C +ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C +ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C +ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C +ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C +ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C +ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C +ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C +ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O +ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H +ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C +ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O +ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N +ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H +ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C +ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C +ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O +ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H +ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C +ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C +ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O +ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N +ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H +ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C +ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C +ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O +ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N +ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H +ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C +ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C +ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O +ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H +ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C +ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O +ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N +ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H +ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C +ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C +ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C +ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C +ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C +ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C +ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O +ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N +ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H +ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C +ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C +ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C +ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C +ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C +ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C +ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C +ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N +ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H +ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C +ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C +ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C +ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C +ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O +ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N +ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H +ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C +ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C +ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C +ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C +ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C +ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C +ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C +ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C +ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O +ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H +ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C +ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O +ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N +ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H +ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C +ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C +ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O +ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H +ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C +ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C +ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O +ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N +ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C +ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C +ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C +ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C +ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C +ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O +ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N +ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H +ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C +ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C +ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C +ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C +ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C +ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C +ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O +ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N +ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H +ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C +ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C +ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C +ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C +ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N +ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H +ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C +ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N +ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H +ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H +ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N +ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H +ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H +ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C +ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O +ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N +ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H +ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C +ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C +ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C +ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C +ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N +ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H +ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C +ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N +ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H +ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H +ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N +ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H +ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H +ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C +ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O +ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N +ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H +ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C +ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C +ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C +ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C +ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O +ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O +ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C +ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O +ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N +ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H +ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C +ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C +ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C +ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C +ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C +ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C +ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C +ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N +ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H +ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C +ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C +ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C +ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C +ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O +ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N +ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H +ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C +ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C +ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C +ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C +ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C +ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C +ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C +ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C +ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O +ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H +ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C +ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O +ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N +ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H +ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C +ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C +ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C +ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C +ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C +ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C +ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C +ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C +ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O +ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H +ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C +ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O +ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N +ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H +ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C +ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C +ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C +ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C +ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O +ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O +ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C +ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O +ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N +ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H +ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C +ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C +ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C +ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C +ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C +ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O +ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N +ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H +ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C +ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C +ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C +ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C +ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C +ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C +ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O +ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N +ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H +ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C +ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C +ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C +ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C +ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C +ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C +ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O +ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N +ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H +ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C +ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C +ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C +ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C +ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C +ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O +ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N +ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H +ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C +ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C +ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C +ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C +ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N +ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H +ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C +ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N +ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H +ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H +ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N +ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H +ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H +ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C +ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O +ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N +ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H +ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C +ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C +ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C +ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C +ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C +ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O +ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N +ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H +ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C +ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C +ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C +ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C +ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O +ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O +ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C +ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O +ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N +ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H +ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C +ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C +ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C +ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C +ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C +ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C +ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O +ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N +ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H +ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C +ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C +ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C +ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O +ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N +ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H +ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H +ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C +ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O +ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N +ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H +ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C +ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C +ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O +ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N +ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H +ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C +ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C +ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C +ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C +ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O +ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N +ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H +ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H +ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C +ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O +ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N +ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H +ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C +ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C +ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C +ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O +ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O +ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C +ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O +ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N +ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H +ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C +ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C +ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C +ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C +ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C +ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C +ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O +ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N +ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H +ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C +ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C +ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C +ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C +ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C +ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N +ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H +ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H +ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H +ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C +ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O +ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N +ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H +ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C +ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C +ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C +ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S +ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C +ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C +ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O +ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N +ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H +ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C +ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C +ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C +ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O +ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O +ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C +ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O +ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N +ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H +ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C +ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C +ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S +ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C +ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O +ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N +ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H +ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C +ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C +ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C +ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C +ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C +ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N +ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H +ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H +ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H +ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C +ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O +ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N +ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H +ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C +ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C +ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C +ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C +ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O +ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O +ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C +ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O +ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N +ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H +ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C +ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C +ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C +ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C +ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C +ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C +ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C +ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C +ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O +ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H +ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C +ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O +ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N +ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H +ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C +ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C +ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C +ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O +ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N +ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H +ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H +ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C +ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O +ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N +ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H +ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C +ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C +ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C +ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C +ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C +ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C +ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C +ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C +ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O +ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H +ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C +ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O +ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N +ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H +ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C +ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C +ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C +ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O +ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O +ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C +ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O +ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N +ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H +ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C +ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C +ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C +ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C +ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C +ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N +ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H +ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H +ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H +ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C +ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O +ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N +ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H +ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C +ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C +ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O +ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H +ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C +ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O +ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N +ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H +ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C +ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C +ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C +ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C +ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C +ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C +ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O +ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N +ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H +ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C +ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C +ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C +ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C +ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C +ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O +ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N +ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H +ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C +ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C +ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C +ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O +ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O +ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C +ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O +ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N +ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H +ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C +ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C +ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O +ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H +ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C +ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O +ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N +ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H +ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C +ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C +ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O +ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N +ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H +ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C +ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C +ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O +ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H +ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C +ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C +ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O +ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N +ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H +ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C +ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C +ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O +ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H +ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C +ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C +ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O +ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N +ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H +ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C +ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C +ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C +ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O +ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N +ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H +ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H +ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C +ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O +ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N +ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H +ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C +ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C +ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C +ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C +ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C +ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C +ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O +ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N +ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H +ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C +ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C +ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C +ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C +ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N +ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H +ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C +ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N +ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H +ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H +ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N +ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H +ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H +ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C +ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O +ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N +ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H +ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C +ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C +ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C +ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C +ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C +ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C +ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O +ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N +ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C +ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C +ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C +ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C +ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C +ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O +ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N +ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H +ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C +ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C +ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C +ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C +ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C +ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N +ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H +ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H +ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H +ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C +ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O +ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N +ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H +ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C +ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C +ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C +ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C +ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C +ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N +ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H +ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H +ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H +ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C +ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O +ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N +ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H +ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C +ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C +ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C +ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C +ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C +ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O +ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N +ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H +ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C +ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C +ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C +ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C +ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C +ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C +ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C +ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C +ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C +ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O +ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N +ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H +ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C +ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C +ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C +ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C +ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O +ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O +ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C +ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O +ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N +ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H +ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C +ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C +ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C +ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O +ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N +ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H +ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C +ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C +ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C +ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O +ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N +ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H +ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C +ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C +ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C +ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C +ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C +ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O +ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N +ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H +ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C +ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C +ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C +ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C +ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C +ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N +ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H +ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H +ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H +ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C +ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O +ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N +ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H +ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C +ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C +ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O +ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H +ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C +ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O +ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N +ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H +ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C +ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C +ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C +ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C +ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C +ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C +ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O +ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N +ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H +ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C +ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C +ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C +ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C +ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C +ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N +ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H +ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H +ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H +ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C +ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O +ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N +ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H +ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C +ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C +ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C +ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O +ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N +ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H +ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C +ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C +ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C +ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O +ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N +ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H +ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C +ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C +ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O +ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H +ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C +ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O +ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N +ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H +ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C +ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C +ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O +ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H +ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C +ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O +ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N +ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H +ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C +ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C +ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O +ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H +ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C +ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C +ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O +ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N +ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H +ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C +ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C +ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C +ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C +ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O +ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O +ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C +ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O +ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N +ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H +ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C +ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C +ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C +ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C +ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C +ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N +ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H +ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H +ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H +ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C +ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O +ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N +ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H +ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C +ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C +ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C +ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C +ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C +ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C +ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C +ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C +ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C +ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O +ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N +ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C +ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C +ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C +ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C +ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C +ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O +ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N +ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H +ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C +ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C +ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C +ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O +ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O +ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C +ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O +ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N +ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H +ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C +ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C +ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O +ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N +ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H +ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C +ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C +ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C +ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C +ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C +ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C +ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C +ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C +ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C +ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O +ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N +ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H +ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C +ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C +ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C +ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C +ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C +ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C +ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C +ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N +ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H +ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C +ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C +ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C +ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C +ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O +ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N +ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H +ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C +ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C +ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C +ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C +ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C +ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C +ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O +ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N +ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H +ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C +ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C +ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O +ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N +ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H +ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C +ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C +ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C +ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C +ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O +ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O +ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C +ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O +ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N +ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H +ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C +ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C +ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C +ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C +ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O +ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N +ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H +ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H +ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C +ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O +ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N +ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H +ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C +ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C +ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C +ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C +ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C +ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C +ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O +ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N +ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H +ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C +ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C +ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C +ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C +ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C +ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O +ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N +ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H +ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C +ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C +ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S +ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C +ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O +ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N +ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H +ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C +ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C +ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C +ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C +ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C +ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C +ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C +ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N +ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H +ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C +ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C +ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C +ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C +ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O +ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N +ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H +ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C +ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C +ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C +ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C +ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O +ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N +ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H +ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H +ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C +ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O +ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N +ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H +ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C +ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C +ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C +ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O +ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N +ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H +ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C +ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C +ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O +ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N +ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H +ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C +ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C +ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O +ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H +ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C +ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C +ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O +ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N +ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H +ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C +ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C +ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O +ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H +ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C +ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C +ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O +ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N +ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C +ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C +ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C +ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C +ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C +ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O +ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N +ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H +ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C +ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C +ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C +ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C +ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C +ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C +ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C +ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N +ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H +ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C +ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C +ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C +ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C +ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O +ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N +ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H +ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C +ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C +ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C +ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O +ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N +ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H +ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H +ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C +ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O +ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N +ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H +ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C +ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C +ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C +ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C +ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C +ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C +ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O +ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N +ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H +ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C +ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C +ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C +ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C +ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C +ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C +ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C +ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C +ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C +ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O +ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N +ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C +ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C +ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C +ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C +ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C +ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O +ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N +ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H +ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C +ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C +ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C +ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C +ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C +ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O +ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N +ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H +ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C +ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C +ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C +ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C +ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C +ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C +ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O +ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N +ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H +ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C +ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C +ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O +ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H +ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C +ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O +ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N +ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H +ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C +ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C +ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C +ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C +ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C +ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C +ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O +ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N +ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H +ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C +ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C +ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C +ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C +ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C +ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C +ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C +ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C +ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O +ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H +ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C +ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O +ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N +ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H +ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C +ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C +ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C +ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C +ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C +ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C +ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O +ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N +ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H +ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C +ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C +ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C +ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S +ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C +ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C +ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O +ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N +ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H +ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C +ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C +ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O +ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N +ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H +ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C +ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C +ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C +ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C +ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O +ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O +ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C +ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O +ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N +ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H +ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C +ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C +ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C +ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C +ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C +ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O +ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N +ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H +ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C +ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C +ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O +ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H +ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C +ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C +ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O +ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N +ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H +ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C +ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C +ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C +ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O +ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N +ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H +ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H +ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C +ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O +ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N +ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H +ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C +ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C +ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C +ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C +ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O +ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N +ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H +ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H +ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C +ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O +ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N +ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H +ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C +ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C +ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O +ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H +ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C +ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O +ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N +ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H +ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C +ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C +ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C +ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C +ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C +ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C +ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C +ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C +ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C +ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O +ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N +ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H +ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C +ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C +ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C +ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C +ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N +ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H +ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C +ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N +ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H +ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H +ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N +ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H +ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H +ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C +ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O +ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N +ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H +ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C +ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C +ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C +ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C +ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C +ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C +ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O +ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N +ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H +ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C +ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C +ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O +ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H +ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C +ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C +ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O +ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N +ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H +ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C +ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C +ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C +ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C +ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C +ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C +ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O +ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N +ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H +ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C +ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C +ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C +ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C +ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C +ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C +ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O +ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N +ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C +ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C +ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C +ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C +ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C +ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O +ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N +ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H +ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C +ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C +ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C +ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C +ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O +ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N +ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H +ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H +ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C +ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O +ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N +ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H +ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C +ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C +ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C +ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C +ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O +ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N +ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H +ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H +ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C +ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O +ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N +ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H +ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C +ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C +ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C +ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C +ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C +ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C +ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C +ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C +ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O +ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H +ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C +ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O +ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N +ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H +ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C +ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C +ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C +ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C +ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C +ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C +ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O +ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N +ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H +ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C +ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C +ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C +ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C +ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N +ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H +ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C +ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N +ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H +ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H +ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N +ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H +ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H +ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C +ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O +ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N +ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C +ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C +ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C +ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C +ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C +ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O +ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N +ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H +ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C +ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C +ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C +ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C +ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C +ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O +ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N +ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H +ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C +ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C +ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C +ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C +ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O +ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O +ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C +ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O +ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N +ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H +ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C +ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C +ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C +ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O +ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O +ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C +ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O +ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N +ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H +ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C +ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C +ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C +ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C +ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C +ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O +ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N +ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H +ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C +ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C +ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C +ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O +ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N +ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H +ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C +ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C +ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O +ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H +ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C +ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C +ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O +ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N +ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H +ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C +ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C +ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O +ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H +ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C +ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O +ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N +ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H +ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C +ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C +ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C +ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C +ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O +ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N +ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H +ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H +ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C +ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O +ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N +ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H +ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C +ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C +ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C +ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O +ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O +ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C +ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O +ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N +ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H +ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C +ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C +ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C +ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O +ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O +ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C +ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O +ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N +ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H +ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C +ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C +ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S +ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C +ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O +ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N +ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H +ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C +ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C +ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C +ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C +ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C +ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C +ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C +ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C +ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O +ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H +ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C +ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O +ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N +ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H +ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C +ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C +ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C +ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C +ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C +ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N +ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H +ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H +ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H +ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C +ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O +ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N +ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H +ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C +ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C +ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C +ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C +ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C +ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C +ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C +ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C +ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C +ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O +ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N +ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H +ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C +ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C +ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C +ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O +ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N +ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H +ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C +ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C +ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C +ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C +ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C +ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C +ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O +ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N +ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H +ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C +ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C +ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O +ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H +ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C +ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O +ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N +ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H +ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C +ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C +ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C +ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C +ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O +ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N +ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H +ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H +ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C +ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O +ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N +ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H +ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C +ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C +ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O +ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H +ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C +ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O +ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N +ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H +ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C +ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C +ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O +ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H +ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C +ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O +ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N +ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H +ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C +ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C +ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O +ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H +ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C +ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C +ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O +ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N +ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H +ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C +ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C +ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O +ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N +ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H +ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C +ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C +ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O +ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H +ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C +ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C +ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O +ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N +ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H +ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C +ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C +ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C +ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C +ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C +ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O +ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N +ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H +ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C +ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C +ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C +ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S +ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C +ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C +ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O +ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N +ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H +ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C +ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C +ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O +ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N +ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H +ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C +ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C +ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C +ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O +ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N +ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H +ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C +ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C +ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C +ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C +ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C +ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O +ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N +ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H +ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C +ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C +ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C +ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C +ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C +ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C +ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O +ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N +ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H +ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C +ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C +ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C +ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S +ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C +ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C +ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O +ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N +ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H +ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C +ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C +ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C +ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C +ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O +ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O +ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C +ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O +ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N +ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H +ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C +ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C +ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O +ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N +ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H +ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C +ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C +ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C +ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C +ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C +ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C +ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C +ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C +ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C +ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O +ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N +ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H +ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C +ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C +ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C +ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C +ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C +ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C +ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C +ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C +ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O +ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H +ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C +ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O +ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N +ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H +ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C +ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C +ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C +ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C +ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C +ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O +ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N +ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H +ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C +ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C +ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C +ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C +ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C +ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O +ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N +ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H +ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C +ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C +ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C +ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C +ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C +ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C +ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C +ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C +ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C +ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O +ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N +ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H +ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C +ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C +ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C +ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O +ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O +ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C +ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O +ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N +ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H +ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C +ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C +ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C +ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C +ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N +ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H +ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C +ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N +ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H +ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H +ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N +ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H +ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H +ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C +ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O +ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N +ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H +ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C +ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C +ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C +ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O +ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N +ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H +ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C +ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C +ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C +ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C +ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N +ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H +ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C +ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N +ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H +ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H +ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N +ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H +ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H +ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C +ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O +ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N +ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H +ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C +ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C +ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C +ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C +ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C +ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N +ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H +ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H +ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H +ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C +ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O +ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N +ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H +ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C +ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C +ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C +ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C +ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N +ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H +ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C +ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N +ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H +ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H +ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N +ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H +ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H +ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C +ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O +ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N +ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H +ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C +ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C +ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C +ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C +ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C +ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C +ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O +ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N +ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H +ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C +ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C +ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O +ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N +ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H +ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C +ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C +ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C +ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C +ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C +ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C +ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C +ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C +ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C +ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O +ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N +ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H +ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C +ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C +ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C +ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O +ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N +ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H +ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C +ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C +ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C +ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C +ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C +ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O +ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N +ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H +ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C +ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C +ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O +ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H +ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C +ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O +ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N +ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H +ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C +ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C +ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C +ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O +ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N +ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H +ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C +ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C +ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S +ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C +ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O +ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N +ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H +ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C +ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C +ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C +ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N +ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H +ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C +ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N +ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C +ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C +ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O +ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N +ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H +ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C +ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C +ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C +ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C +ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C +ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O +ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N +ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H +ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C +ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C +ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C +ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N +ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H +ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C +ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N +ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C +ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C +ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O +ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N +ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H +ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C +ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C +ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C +ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O +ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O +ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C +ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O +ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N +ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H +ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C +ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C +ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C +ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C +ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O +ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O +ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C +ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O +ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N +ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H +ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C +ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C +ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C +ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C +ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C +ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C +ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C +ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C +ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C +ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O +ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N +ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H +ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C +ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C +ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C +ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C +ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N +ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H +ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C +ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N +ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H +ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H +ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N +ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H +ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H +ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C +ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O +ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N +ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H +ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C +ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C +ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O +ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H +ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C +ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C +ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O +ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N +ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H +ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C +ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C +ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C +ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O +ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N +ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H +ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C +ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C +ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C +ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O +ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N +ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H +ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C +ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C +ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C +ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C +ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C +ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O +ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N +ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H +ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C +ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C +ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C +ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C +ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O +ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O +ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C +ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O +ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N +ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H +ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C +ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C +ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O +ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N +ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C +ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C +ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C +ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C +ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C +ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O +ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N +ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H +ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C +ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C +ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C +ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C +ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C +ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C +ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C +ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C +ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C +ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O +ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N +ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H +ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C +ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C +ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C +ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C +ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C +ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O +ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N +ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H +ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C +ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C +ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O +ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H +ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C +ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C +ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O +ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N +ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H +ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C +ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C +ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C +ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C +ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C +ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C +ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O +ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N +ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H +ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C +ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C +ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C +ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O +ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O +ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C +ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O +ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N +ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H +ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C +ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C +ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C +ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S +ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C +ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C +ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O +ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N +ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H +ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C +ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C +ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C +ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C +ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O +ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O +ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C +ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O +ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N +ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H +ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C +ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C +ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C +ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O +ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O +ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C +ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O +ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N +ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H +ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C +ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C +ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S +ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C +ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O +ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N +ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H +ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C +ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C +ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O +ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N +ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H +ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C +ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C +ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C +ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C +ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C +ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C +ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C +ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C +ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O +ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H +ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C +ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O +ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N +ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H +ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C +ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C +ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C +ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O +ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N +ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H +ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H +ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C +ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O +END diff --git a/test/data/BACE_4_rec.psf b/test/data/BACE_4_rec.psf new file mode 100644 index 0000000..eb3c2bc --- /dev/null +++ b/test/data/BACE_4_rec.psf @@ -0,0 +1,11057 @@ +PSF + + 11 !NTITLE + REMARKS original generated structure charmm psf file + REMARKS 3 patches were applied to the molecule. + REMARKS topology /home/aland/mcm-demo/scripts/pdbamino_new.rtf + REMARKS segment A0 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A1 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A2 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A3 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A4 { first NONE; last NONE; auto angles dihedrals } + REMARKS patch DISU A3:155 A4:359 + REMARKS patch DISU A4:217 A4:382 + REMARKS patch DISU A4:269 A4:319 + + 3598 !NATOM + 1 A0 1 GLU N 32 -0.400000 14.0067 0 + 2 A0 1 GLU H 1 0.250000 1.0080 0 + 3 A0 1 GLU CA 11 0.100000 13.0190 0 + 4 A0 1 GLU CB 12 0.000000 14.0270 0 + 5 A0 1 GLU CG 12 0.000000 14.0270 0 + 6 A0 1 GLU CD 14 0.140000 12.0110 0 + 7 A0 1 GLU OE1 43 -0.570000 15.9994 0 + 8 A0 1 GLU OE2 43 -0.570000 15.9994 0 + 9 A0 1 GLU C 14 0.600000 12.0110 0 + 10 A0 1 GLU O 40 -0.550000 15.9994 0 + 11 A0 2 MET N 32 -0.400000 14.0067 0 + 12 A0 2 MET H 1 0.250000 1.0080 0 + 13 A0 2 MET CA 11 0.100000 13.0190 0 + 14 A0 2 MET CB 12 0.000000 14.0270 0 + 15 A0 2 MET CG 12 0.060000 14.0270 0 + 16 A0 2 MET SD 74 -0.120000 32.0600 0 + 17 A0 2 MET CE 13 0.060000 15.0350 0 + 18 A0 2 MET C 14 0.600000 12.0110 0 + 19 A0 2 MET O 40 -0.550000 15.9994 0 + 20 A0 3 VAL N 32 -0.400000 14.0067 0 + 21 A0 3 VAL H 1 0.250000 1.0080 0 + 22 A0 3 VAL CA 11 0.100000 13.0190 0 + 23 A0 3 VAL CB 11 0.000000 13.0190 0 + 24 A0 3 VAL CG1 13 0.000000 15.0350 0 + 25 A0 3 VAL CG2 13 0.000000 15.0350 0 + 26 A0 3 VAL C 14 0.600000 12.0110 0 + 27 A0 3 VAL O 40 -0.550000 15.9994 0 + 28 A0 4 ASP N 32 -0.400000 14.0067 0 + 29 A0 4 ASP H 1 0.250000 1.0080 0 + 30 A0 4 ASP CA 11 0.100000 13.0190 0 + 31 A0 4 ASP CB 12 0.000000 14.0270 0 + 32 A0 4 ASP CG 14 0.140000 12.0110 0 + 33 A0 4 ASP OD1 43 -0.570000 15.9994 0 + 34 A0 4 ASP OD2 43 -0.570000 15.9994 0 + 35 A0 4 ASP C 14 0.600000 12.0110 0 + 36 A0 4 ASP O 40 -0.550000 15.9994 0 + 37 A0 5 ASN N 32 -0.400000 14.0067 0 + 38 A0 5 ASN H 1 0.250000 1.0080 0 + 39 A0 5 ASN CA 11 0.100000 13.0190 0 + 40 A0 5 ASN CB 12 0.000000 14.0270 0 + 41 A0 5 ASN CG 14 0.550000 12.0110 0 + 42 A0 5 ASN OD1 40 -0.550000 15.9994 0 + 43 A0 5 ASN ND2 32 -0.600000 14.0067 0 + 44 A0 5 ASN HD21 1 0.300000 1.0080 0 + 45 A0 5 ASN HD22 1 0.300000 1.0080 0 + 46 A0 5 ASN C 14 0.600000 12.0110 0 + 47 A0 5 ASN O 40 -0.550000 15.9994 0 + 48 A0 6 LEU N 32 -0.400000 14.0067 0 + 49 A0 6 LEU H 1 0.250000 1.0080 0 + 50 A0 6 LEU CA 11 0.100000 13.0190 0 + 51 A0 6 LEU CB 12 0.000000 14.0270 0 + 52 A0 6 LEU CG 11 0.000000 13.0190 0 + 53 A0 6 LEU CD1 13 0.000000 15.0350 0 + 54 A0 6 LEU CD2 13 0.000000 15.0350 0 + 55 A0 6 LEU C 14 0.600000 12.0110 0 + 56 A0 6 LEU O 40 -0.550000 15.9994 0 + 57 A0 7 ARG N 32 -0.400000 14.0067 0 + 58 A0 7 ARG H 1 0.250000 1.0080 0 + 59 A0 7 ARG CA 11 0.100000 13.0190 0 + 60 A0 7 ARG CB 12 0.000000 14.0270 0 + 61 A0 7 ARG CG 12 0.000000 14.0270 0 + 62 A0 7 ARG CD 12 0.100000 14.0270 0 + 63 A0 7 ARG NE 32 -0.400000 14.0067 0 + 64 A0 7 ARG HE 1 0.300000 1.0080 0 + 65 A0 7 ARG CZ 14 0.500000 12.0110 0 + 66 A0 7 ARG NH1 37 -0.450000 14.0067 0 + 67 A0 7 ARG HH11 2 0.350000 1.0080 0 + 68 A0 7 ARG HH12 2 0.350000 1.0080 0 + 69 A0 7 ARG NH2 37 -0.450000 14.0067 0 + 70 A0 7 ARG HH21 2 0.350000 1.0080 0 + 71 A0 7 ARG HH22 2 0.350000 1.0080 0 + 72 A0 7 ARG C 14 0.600000 12.0110 0 + 73 A0 7 ARG O 40 -0.550000 15.9994 0 + 74 A0 8 GLY N 32 -0.400000 14.0067 0 + 75 A0 8 GLY H 1 0.250000 1.0080 0 + 76 A0 8 GLY CA 12 0.100000 14.0270 0 + 77 A0 8 GLY C 14 0.600000 12.0110 0 + 78 A0 8 GLY O 40 -0.550000 15.9994 0 + 79 A0 9 LYS N 32 -0.400000 14.0067 0 + 80 A0 9 LYS H 1 0.250000 1.0080 0 + 81 A0 9 LYS CA 11 0.100000 13.0190 0 + 82 A0 9 LYS CB 12 0.000000 14.0270 0 + 83 A0 9 LYS CG 12 0.000000 14.0270 0 + 84 A0 9 LYS CD 12 0.000000 14.0270 0 + 85 A0 9 LYS CE 12 0.250000 14.0270 0 + 86 A0 9 LYS NZ 36 -0.300000 14.0067 0 + 87 A0 9 LYS HZ1 2 0.350000 1.0080 0 + 88 A0 9 LYS HZ2 2 0.350000 1.0080 0 + 89 A0 9 LYS HZ3 2 0.350000 1.0080 0 + 90 A0 9 LYS C 14 0.600000 12.0110 0 + 91 A0 9 LYS O 40 -0.550000 15.9994 0 + 92 A0 10 SER N 32 -0.400000 14.0067 0 + 93 A0 10 SER H 1 0.250000 1.0080 0 + 94 A0 10 SER CA 11 0.100000 13.0190 0 + 95 A0 10 SER CB 12 0.250000 14.0270 0 + 96 A0 10 SER OG 45 -0.650000 15.9994 0 + 97 A0 10 SER HG 8 0.400000 1.0080 0 + 98 A0 10 SER C 14 0.600000 12.0110 0 + 99 A0 10 SER O 40 -0.550000 15.9994 0 + 100 A0 11 GLY N 32 -0.400000 14.0067 0 + 101 A0 11 GLY H 1 0.250000 1.0080 0 + 102 A0 11 GLY CA 12 0.100000 14.0270 0 + 103 A0 11 GLY C 14 0.600000 12.0110 0 + 104 A0 11 GLY O 40 -0.550000 15.9994 0 + 105 A0 12 GLN N 32 -0.400000 14.0067 0 + 106 A0 12 GLN H 1 0.250000 1.0080 0 + 107 A0 12 GLN CA 11 0.100000 13.0190 0 + 108 A0 12 GLN CB 12 0.000000 14.0270 0 + 109 A0 12 GLN CG 12 0.000000 14.0270 0 + 110 A0 12 GLN CD 14 0.550000 12.0110 0 + 111 A0 12 GLN OE1 40 -0.550000 15.9994 0 + 112 A0 12 GLN NE2 32 -0.600000 14.0067 0 + 113 A0 12 GLN HE21 1 0.300000 1.0080 0 + 114 A0 12 GLN HE22 1 0.300000 1.0080 0 + 115 A0 12 GLN C 14 0.600000 12.0110 0 + 116 A0 12 GLN O 40 -0.550000 15.9994 0 + 117 A0 13 GLY N 32 -0.400000 14.0067 0 + 118 A0 13 GLY H 1 0.250000 1.0080 0 + 119 A0 13 GLY CA 12 0.100000 14.0270 0 + 120 A0 13 GLY C 14 0.600000 12.0110 0 + 121 A0 13 GLY O 40 -0.550000 15.9994 0 + 122 A0 14 TYR N 32 -0.400000 14.0067 0 + 123 A0 14 TYR H 1 0.250000 1.0080 0 + 124 A0 14 TYR CA 11 0.100000 13.0190 0 + 125 A0 14 TYR CB 12 0.000000 14.0270 0 + 126 A0 14 TYR CG 22 0.000000 12.0110 0 + 127 A0 14 TYR CD1 24 0.000000 13.0190 0 + 128 A0 14 TYR CE1 24 0.000000 13.0190 0 + 129 A0 14 TYR CD2 24 0.000000 13.0190 0 + 130 A0 14 TYR CE2 24 0.000000 13.0190 0 + 131 A0 14 TYR CZ 22 0.250000 12.0110 0 + 132 A0 14 TYR OH 45 -0.650000 15.9994 0 + 133 A0 14 TYR HH 8 0.400000 1.0080 0 + 134 A0 14 TYR C 14 0.600000 12.0110 0 + 135 A0 14 TYR O 40 -0.550000 15.9994 0 + 136 A0 15 TYR N 32 -0.400000 14.0067 0 + 137 A0 15 TYR H 1 0.250000 1.0080 0 + 138 A0 15 TYR CA 11 0.100000 13.0190 0 + 139 A0 15 TYR CB 12 0.000000 14.0270 0 + 140 A0 15 TYR CG 22 0.000000 12.0110 0 + 141 A0 15 TYR CD1 24 0.000000 13.0190 0 + 142 A0 15 TYR CE1 24 0.000000 13.0190 0 + 143 A0 15 TYR CD2 24 0.000000 13.0190 0 + 144 A0 15 TYR CE2 24 0.000000 13.0190 0 + 145 A0 15 TYR CZ 22 0.250000 12.0110 0 + 146 A0 15 TYR OH 45 -0.650000 15.9994 0 + 147 A0 15 TYR HH 8 0.400000 1.0080 0 + 148 A0 15 TYR C 14 0.600000 12.0110 0 + 149 A0 15 TYR O 40 -0.550000 15.9994 0 + 150 A0 16 VAL N 32 -0.400000 14.0067 0 + 151 A0 16 VAL H 1 0.250000 1.0080 0 + 152 A0 16 VAL CA 11 0.100000 13.0190 0 + 153 A0 16 VAL CB 11 0.000000 13.0190 0 + 154 A0 16 VAL CG1 13 0.000000 15.0350 0 + 155 A0 16 VAL CG2 13 0.000000 15.0350 0 + 156 A0 16 VAL C 14 0.600000 12.0110 0 + 157 A0 16 VAL O 40 -0.550000 15.9994 0 + 158 A0 17 GLU N 32 -0.400000 14.0067 0 + 159 A0 17 GLU H 1 0.250000 1.0080 0 + 160 A0 17 GLU CA 11 0.100000 13.0190 0 + 161 A0 17 GLU CB 12 0.000000 14.0270 0 + 162 A0 17 GLU CG 12 0.000000 14.0270 0 + 163 A0 17 GLU CD 14 0.140000 12.0110 0 + 164 A0 17 GLU OE1 43 -0.570000 15.9994 0 + 165 A0 17 GLU OE2 43 -0.570000 15.9994 0 + 166 A0 17 GLU C 14 0.600000 12.0110 0 + 167 A0 17 GLU O 40 -0.550000 15.9994 0 + 168 A0 18 MET N 32 -0.400000 14.0067 0 + 169 A0 18 MET H 1 0.250000 1.0080 0 + 170 A0 18 MET CA 11 0.100000 13.0190 0 + 171 A0 18 MET CB 12 0.000000 14.0270 0 + 172 A0 18 MET CG 12 0.060000 14.0270 0 + 173 A0 18 MET SD 74 -0.120000 32.0600 0 + 174 A0 18 MET CE 13 0.060000 15.0350 0 + 175 A0 18 MET C 14 0.600000 12.0110 0 + 176 A0 18 MET O 40 -0.550000 15.9994 0 + 177 A0 19 THR N 32 -0.400000 14.0067 0 + 178 A0 19 THR H 1 0.250000 1.0080 0 + 179 A0 19 THR CA 11 0.100000 13.0190 0 + 180 A0 19 THR CB 11 0.250000 13.0190 0 + 181 A0 19 THR OG1 45 -0.650000 15.9994 0 + 182 A0 19 THR HG1 8 0.400000 1.0080 0 + 183 A0 19 THR CG2 13 0.000000 15.0350 0 + 184 A0 19 THR C 14 0.600000 12.0110 0 + 185 A0 19 THR O 40 -0.550000 15.9994 0 + 186 A0 20 VAL N 32 -0.400000 14.0067 0 + 187 A0 20 VAL H 1 0.250000 1.0080 0 + 188 A0 20 VAL CA 11 0.100000 13.0190 0 + 189 A0 20 VAL CB 11 0.000000 13.0190 0 + 190 A0 20 VAL CG1 13 0.000000 15.0350 0 + 191 A0 20 VAL CG2 13 0.000000 15.0350 0 + 192 A0 20 VAL C 14 0.600000 12.0110 0 + 193 A0 20 VAL O 40 -0.550000 15.9994 0 + 194 A0 21 GLY N 32 -0.400000 14.0067 0 + 195 A0 21 GLY H 1 0.250000 1.0080 0 + 196 A0 21 GLY CA 12 0.100000 14.0270 0 + 197 A0 21 GLY C 14 0.600000 12.0110 0 + 198 A0 21 GLY O 40 -0.550000 15.9994 0 + 199 A0 22 SER N 32 -0.400000 14.0067 0 + 200 A0 22 SER H 1 0.250000 1.0080 0 + 201 A0 22 SER CA 11 0.100000 13.0190 0 + 202 A0 22 SER CB 12 0.250000 14.0270 0 + 203 A0 22 SER OG 45 -0.650000 15.9994 0 + 204 A0 22 SER HG 8 0.400000 1.0080 0 + 205 A0 22 SER C 14 0.600000 12.0110 0 + 206 A0 22 SER O 40 -0.550000 15.9994 0 + 207 A0 23 PRO N 33 -0.250000 14.0067 0 + 208 A0 23 PRO CD 12 0.100000 14.0270 0 + 209 A0 23 PRO CA 11 0.100000 13.0190 0 + 210 A0 23 PRO CB 12 0.000000 14.0270 0 + 211 A0 23 PRO CG 12 0.000000 14.0270 0 + 212 A0 23 PRO C 14 0.600000 12.0110 0 + 213 A0 23 PRO O 40 -0.550000 15.9994 0 + 214 A0 24 PRO N 33 -0.250000 14.0067 0 + 215 A0 24 PRO CD 12 0.100000 14.0270 0 + 216 A0 24 PRO CA 11 0.100000 13.0190 0 + 217 A0 24 PRO CB 12 0.000000 14.0270 0 + 218 A0 24 PRO CG 12 0.000000 14.0270 0 + 219 A0 24 PRO C 14 0.600000 12.0110 0 + 220 A0 24 PRO O 40 -0.550000 15.9994 0 + 221 A0 25 GLN N 32 -0.400000 14.0067 0 + 222 A0 25 GLN H 1 0.250000 1.0080 0 + 223 A0 25 GLN CA 11 0.100000 13.0190 0 + 224 A0 25 GLN CB 12 0.000000 14.0270 0 + 225 A0 25 GLN CG 12 0.000000 14.0270 0 + 226 A0 25 GLN CD 14 0.550000 12.0110 0 + 227 A0 25 GLN OE1 40 -0.550000 15.9994 0 + 228 A0 25 GLN NE2 32 -0.600000 14.0067 0 + 229 A0 25 GLN HE21 1 0.300000 1.0080 0 + 230 A0 25 GLN HE22 1 0.300000 1.0080 0 + 231 A0 25 GLN C 14 0.600000 12.0110 0 + 232 A0 25 GLN O 40 -0.550000 15.9994 0 + 233 A0 26 THR N 32 -0.400000 14.0067 0 + 234 A0 26 THR H 1 0.250000 1.0080 0 + 235 A0 26 THR CA 11 0.100000 13.0190 0 + 236 A0 26 THR CB 11 0.250000 13.0190 0 + 237 A0 26 THR OG1 45 -0.650000 15.9994 0 + 238 A0 26 THR HG1 8 0.400000 1.0080 0 + 239 A0 26 THR CG2 13 0.000000 15.0350 0 + 240 A0 26 THR C 14 0.600000 12.0110 0 + 241 A0 26 THR O 40 -0.550000 15.9994 0 + 242 A0 27 LEU N 32 -0.400000 14.0067 0 + 243 A0 27 LEU H 1 0.250000 1.0080 0 + 244 A0 27 LEU CA 11 0.100000 13.0190 0 + 245 A0 27 LEU CB 12 0.000000 14.0270 0 + 246 A0 27 LEU CG 11 0.000000 13.0190 0 + 247 A0 27 LEU CD1 13 0.000000 15.0350 0 + 248 A0 27 LEU CD2 13 0.000000 15.0350 0 + 249 A0 27 LEU C 14 0.600000 12.0110 0 + 250 A0 27 LEU O 40 -0.550000 15.9994 0 + 251 A0 28 ASN N 32 -0.400000 14.0067 0 + 252 A0 28 ASN H 1 0.250000 1.0080 0 + 253 A0 28 ASN CA 11 0.100000 13.0190 0 + 254 A0 28 ASN CB 12 0.000000 14.0270 0 + 255 A0 28 ASN CG 14 0.550000 12.0110 0 + 256 A0 28 ASN OD1 40 -0.550000 15.9994 0 + 257 A0 28 ASN ND2 32 -0.600000 14.0067 0 + 258 A0 28 ASN HD21 1 0.300000 1.0080 0 + 259 A0 28 ASN HD22 1 0.300000 1.0080 0 + 260 A0 28 ASN C 14 0.600000 12.0110 0 + 261 A0 28 ASN O 40 -0.550000 15.9994 0 + 262 A0 29 ILE N 32 -0.400000 14.0067 0 + 263 A0 29 ILE H 1 0.250000 1.0080 0 + 264 A0 29 ILE CA 11 0.100000 13.0190 0 + 265 A0 29 ILE CB 11 0.000000 13.0190 0 + 266 A0 29 ILE CG2 13 0.000000 15.0350 0 + 267 A0 29 ILE CG1 12 0.000000 14.0270 0 + 268 A0 29 ILE CD1 13 0.000000 15.0350 0 + 269 A0 29 ILE C 14 0.600000 12.0110 0 + 270 A0 29 ILE O 40 -0.550000 15.9994 0 + 271 A0 30 LEU N 32 -0.400000 14.0067 0 + 272 A0 30 LEU H 1 0.250000 1.0080 0 + 273 A0 30 LEU CA 11 0.100000 13.0190 0 + 274 A0 30 LEU CB 12 0.000000 14.0270 0 + 275 A0 30 LEU CG 11 0.000000 13.0190 0 + 276 A0 30 LEU CD1 13 0.000000 15.0350 0 + 277 A0 30 LEU CD2 13 0.000000 15.0350 0 + 278 A0 30 LEU C 14 0.600000 12.0110 0 + 279 A0 30 LEU O 40 -0.550000 15.9994 0 + 280 A0 31 VAL N 32 -0.400000 14.0067 0 + 281 A0 31 VAL H 1 0.250000 1.0080 0 + 282 A0 31 VAL CA 11 0.100000 13.0190 0 + 283 A0 31 VAL CB 11 0.000000 13.0190 0 + 284 A0 31 VAL CG1 13 0.000000 15.0350 0 + 285 A0 31 VAL CG2 13 0.000000 15.0350 0 + 286 A0 31 VAL C 14 0.600000 12.0110 0 + 287 A0 31 VAL O 40 -0.550000 15.9994 0 + 288 A0 32 ASP N 32 -0.400000 14.0067 0 + 289 A0 32 ASP H 1 0.250000 1.0080 0 + 290 A0 32 ASP CA 11 0.100000 13.0190 0 + 291 A0 32 ASP CB 12 0.000000 14.0270 0 + 292 A0 32 ASP CG 14 0.140000 12.0110 0 + 293 A0 32 ASP OD1 43 -0.570000 15.9994 0 + 294 A0 32 ASP OD2 43 -0.570000 15.9994 0 + 295 A0 32 ASP C 14 0.600000 12.0110 0 + 296 A0 32 ASP O 40 -0.550000 15.9994 0 + 297 A0 33 THR N 32 -0.400000 14.0067 0 + 298 A0 33 THR H 1 0.250000 1.0080 0 + 299 A0 33 THR CA 11 0.100000 13.0190 0 + 300 A0 33 THR CB 11 0.250000 13.0190 0 + 301 A0 33 THR OG1 45 -0.650000 15.9994 0 + 302 A0 33 THR HG1 8 0.400000 1.0080 0 + 303 A0 33 THR CG2 13 0.000000 15.0350 0 + 304 A0 33 THR C 14 0.600000 12.0110 0 + 305 A0 33 THR O 40 -0.550000 15.9994 0 + 306 A0 34 GLY N 32 -0.400000 14.0067 0 + 307 A0 34 GLY H 1 0.250000 1.0080 0 + 308 A0 34 GLY CA 12 0.100000 14.0270 0 + 309 A0 34 GLY C 14 0.600000 12.0110 0 + 310 A0 34 GLY O 40 -0.550000 15.9994 0 + 311 A0 35 SER N 32 -0.400000 14.0067 0 + 312 A0 35 SER H 1 0.250000 1.0080 0 + 313 A0 35 SER CA 11 0.100000 13.0190 0 + 314 A0 35 SER CB 12 0.250000 14.0270 0 + 315 A0 35 SER OG 45 -0.650000 15.9994 0 + 316 A0 35 SER HG 8 0.400000 1.0080 0 + 317 A0 35 SER C 14 0.600000 12.0110 0 + 318 A0 35 SER O 40 -0.550000 15.9994 0 + 319 A0 36 SER N 32 -0.400000 14.0067 0 + 320 A0 36 SER H 1 0.250000 1.0080 0 + 321 A0 36 SER CA 11 0.100000 13.0190 0 + 322 A0 36 SER CB 12 0.250000 14.0270 0 + 323 A0 36 SER OG 45 -0.650000 15.9994 0 + 324 A0 36 SER HG 8 0.400000 1.0080 0 + 325 A0 36 SER C 14 0.600000 12.0110 0 + 326 A0 36 SER O 40 -0.550000 15.9994 0 + 327 A0 37 ASN N 32 -0.400000 14.0067 0 + 328 A0 37 ASN H 1 0.250000 1.0080 0 + 329 A0 37 ASN CA 11 0.100000 13.0190 0 + 330 A0 37 ASN CB 12 0.000000 14.0270 0 + 331 A0 37 ASN CG 14 0.550000 12.0110 0 + 332 A0 37 ASN OD1 40 -0.550000 15.9994 0 + 333 A0 37 ASN ND2 32 -0.600000 14.0067 0 + 334 A0 37 ASN HD21 1 0.300000 1.0080 0 + 335 A0 37 ASN HD22 1 0.300000 1.0080 0 + 336 A0 37 ASN C 14 0.600000 12.0110 0 + 337 A0 37 ASN O 40 -0.550000 15.9994 0 + 338 A0 38 PHE N 32 -0.400000 14.0067 0 + 339 A0 38 PHE H 1 0.250000 1.0080 0 + 340 A0 38 PHE CA 11 0.100000 13.0190 0 + 341 A0 38 PHE CB 12 0.000000 14.0270 0 + 342 A0 38 PHE CG 22 0.000000 12.0110 0 + 343 A0 38 PHE CD1 24 0.000000 13.0190 0 + 344 A0 38 PHE CD2 24 0.000000 13.0190 0 + 345 A0 38 PHE CE1 24 0.000000 13.0190 0 + 346 A0 38 PHE CE2 24 0.000000 13.0190 0 + 347 A0 38 PHE CZ 24 0.000000 13.0190 0 + 348 A0 38 PHE C 14 0.600000 12.0110 0 + 349 A0 38 PHE O 40 -0.550000 15.9994 0 + 350 A0 39 ALA N 32 -0.400000 14.0067 0 + 351 A0 39 ALA H 1 0.250000 1.0080 0 + 352 A0 39 ALA CA 11 0.100000 13.0190 0 + 353 A0 39 ALA CB 13 0.000000 15.0350 0 + 354 A0 39 ALA C 14 0.600000 12.0110 0 + 355 A0 39 ALA O 40 -0.550000 15.9994 0 + 356 A0 40 VAL N 32 -0.400000 14.0067 0 + 357 A0 40 VAL H 1 0.250000 1.0080 0 + 358 A0 40 VAL CA 11 0.100000 13.0190 0 + 359 A0 40 VAL CB 11 0.000000 13.0190 0 + 360 A0 40 VAL CG1 13 0.000000 15.0350 0 + 361 A0 40 VAL CG2 13 0.000000 15.0350 0 + 362 A0 40 VAL C 14 0.600000 12.0110 0 + 363 A0 40 VAL O 40 -0.550000 15.9994 0 + 364 A0 41 GLY N 32 -0.400000 14.0067 0 + 365 A0 41 GLY H 1 0.250000 1.0080 0 + 366 A0 41 GLY CA 12 0.100000 14.0270 0 + 367 A0 41 GLY C 14 0.600000 12.0110 0 + 368 A0 41 GLY O 40 -0.550000 15.9994 0 + 369 A0 42 ALA N 32 -0.400000 14.0067 0 + 370 A0 42 ALA H 1 0.250000 1.0080 0 + 371 A0 42 ALA CA 11 0.100000 13.0190 0 + 372 A0 42 ALA CB 13 0.000000 15.0350 0 + 373 A0 42 ALA C 14 0.600000 12.0110 0 + 374 A0 42 ALA O 40 -0.550000 15.9994 0 + 375 A0 43 ALA N 32 -0.400000 14.0067 0 + 376 A0 43 ALA H 1 0.250000 1.0080 0 + 377 A0 43 ALA CA 11 0.100000 13.0190 0 + 378 A0 43 ALA CB 13 0.000000 15.0350 0 + 379 A0 43 ALA C 14 0.600000 12.0110 0 + 380 A0 43 ALA O 40 -0.550000 15.9994 0 + 381 A0 44 PRO N 33 -0.250000 14.0067 0 + 382 A0 44 PRO CD 12 0.100000 14.0270 0 + 383 A0 44 PRO CA 11 0.100000 13.0190 0 + 384 A0 44 PRO CB 12 0.000000 14.0270 0 + 385 A0 44 PRO CG 12 0.000000 14.0270 0 + 386 A0 44 PRO C 14 0.600000 12.0110 0 + 387 A0 44 PRO O 40 -0.550000 15.9994 0 + 388 A0 45 HIS N 32 -0.400000 14.0067 0 + 389 A0 45 HIS H 1 0.250000 1.0080 0 + 390 A0 45 HIS CA 11 0.100000 13.0190 0 + 391 A0 45 HIS CB 12 0.000000 14.0270 0 + 392 A0 45 HIS CG 21 0.100000 12.0110 0 + 393 A0 45 HIS ND1 34 -0.400000 14.0067 0 + 394 A0 45 HIS HD1 1 0.300000 1.0080 0 + 395 A0 45 HIS CD2 23 0.100000 13.0190 0 + 396 A0 45 HIS NE2 34 -0.400000 14.0067 0 + 397 A0 45 HIS CE1 23 0.300000 13.0190 0 + 398 A0 45 HIS C 14 0.600000 12.0110 0 + 399 A0 45 HIS O 40 -0.550000 15.9994 0 + 400 A0 46P SER N 32 -0.400000 14.0067 0 + 401 A0 46P SER H 1 0.250000 1.0080 0 + 402 A0 46P SER CA 11 0.100000 13.0190 0 + 403 A0 46P SER CB 12 0.250000 14.0270 0 + 404 A0 46P SER OG 45 -0.650000 15.9994 0 + 405 A0 46P SER HG 8 0.400000 1.0080 0 + 406 A0 46P SER C 14 0.600000 12.0110 0 + 407 A0 46P SER O 40 -0.550000 15.9994 0 + 408 A1 46 PRO N 33 -0.250000 14.0067 0 + 409 A1 46 PRO CD 12 0.100000 14.0270 0 + 410 A1 46 PRO CA 11 0.100000 13.0190 0 + 411 A1 46 PRO CB 12 0.000000 14.0270 0 + 412 A1 46 PRO CG 12 0.000000 14.0270 0 + 413 A1 46 PRO C 14 0.600000 12.0110 0 + 414 A1 46 PRO O 40 -0.550000 15.9994 0 + 415 A1 47P PHE N 32 -0.400000 14.0067 0 + 416 A1 47P PHE H 1 0.250000 1.0080 0 + 417 A1 47P PHE CA 11 0.100000 13.0190 0 + 418 A1 47P PHE CB 12 0.000000 14.0270 0 + 419 A1 47P PHE CG 22 0.000000 12.0110 0 + 420 A1 47P PHE CD1 24 0.000000 13.0190 0 + 421 A1 47P PHE CD2 24 0.000000 13.0190 0 + 422 A1 47P PHE CE1 24 0.000000 13.0190 0 + 423 A1 47P PHE CE2 24 0.000000 13.0190 0 + 424 A1 47P PHE CZ 24 0.000000 13.0190 0 + 425 A1 47P PHE C 14 0.600000 12.0110 0 + 426 A1 47P PHE O 40 -0.550000 15.9994 0 + 427 A2 47 PHE N 32 -0.400000 14.0067 0 + 428 A2 47 PHE H 1 0.250000 1.0080 0 + 429 A2 47 PHE CA 11 0.100000 13.0190 0 + 430 A2 47 PHE CB 12 0.000000 14.0270 0 + 431 A2 47 PHE CG 22 0.000000 12.0110 0 + 432 A2 47 PHE CD1 24 0.000000 13.0190 0 + 433 A2 47 PHE CD2 24 0.000000 13.0190 0 + 434 A2 47 PHE CE1 24 0.000000 13.0190 0 + 435 A2 47 PHE CE2 24 0.000000 13.0190 0 + 436 A2 47 PHE CZ 24 0.000000 13.0190 0 + 437 A2 47 PHE C 14 0.600000 12.0110 0 + 438 A2 47 PHE O 40 -0.550000 15.9994 0 + 439 A2 48P VAL N 32 -0.400000 14.0067 0 + 440 A2 48P VAL H 1 0.250000 1.0080 0 + 441 A2 48P VAL CA 11 0.100000 13.0190 0 + 442 A2 48P VAL CB 11 0.000000 13.0190 0 + 443 A2 48P VAL CG1 13 0.000000 15.0350 0 + 444 A2 48P VAL CG2 13 0.000000 15.0350 0 + 445 A2 48P VAL C 14 0.600000 12.0110 0 + 446 A2 48P VAL O 40 -0.550000 15.9994 0 + 447 A3 48 LEU N 32 -0.400000 14.0067 0 + 448 A3 48 LEU H 1 0.250000 1.0080 0 + 449 A3 48 LEU CA 11 0.100000 13.0190 0 + 450 A3 48 LEU CB 12 0.000000 14.0270 0 + 451 A3 48 LEU CG 11 0.000000 13.0190 0 + 452 A3 48 LEU CD1 13 0.000000 15.0350 0 + 453 A3 48 LEU CD2 13 0.000000 15.0350 0 + 454 A3 48 LEU C 14 0.600000 12.0110 0 + 455 A3 48 LEU O 40 -0.550000 15.9994 0 + 456 A3 49 HIS N 32 -0.400000 14.0067 0 + 457 A3 49 HIS H 1 0.250000 1.0080 0 + 458 A3 49 HIS CA 11 0.100000 13.0190 0 + 459 A3 49 HIS CB 12 0.000000 14.0270 0 + 460 A3 49 HIS CG 21 0.100000 12.0110 0 + 461 A3 49 HIS ND1 34 -0.400000 14.0067 0 + 462 A3 49 HIS HD1 1 0.300000 1.0080 0 + 463 A3 49 HIS CD2 23 0.100000 13.0190 0 + 464 A3 49 HIS NE2 34 -0.400000 14.0067 0 + 465 A3 49 HIS CE1 23 0.300000 13.0190 0 + 466 A3 49 HIS C 14 0.600000 12.0110 0 + 467 A3 49 HIS O 40 -0.550000 15.9994 0 + 468 A3 50 ARG N 32 -0.400000 14.0067 0 + 469 A3 50 ARG H 1 0.250000 1.0080 0 + 470 A3 50 ARG CA 11 0.100000 13.0190 0 + 471 A3 50 ARG CB 12 0.000000 14.0270 0 + 472 A3 50 ARG CG 12 0.000000 14.0270 0 + 473 A3 50 ARG CD 12 0.100000 14.0270 0 + 474 A3 50 ARG NE 32 -0.400000 14.0067 0 + 475 A3 50 ARG HE 1 0.300000 1.0080 0 + 476 A3 50 ARG CZ 14 0.500000 12.0110 0 + 477 A3 50 ARG NH1 37 -0.450000 14.0067 0 + 478 A3 50 ARG HH11 2 0.350000 1.0080 0 + 479 A3 50 ARG HH12 2 0.350000 1.0080 0 + 480 A3 50 ARG NH2 37 -0.450000 14.0067 0 + 481 A3 50 ARG HH21 2 0.350000 1.0080 0 + 482 A3 50 ARG HH22 2 0.350000 1.0080 0 + 483 A3 50 ARG C 14 0.600000 12.0110 0 + 484 A3 50 ARG O 40 -0.550000 15.9994 0 + 485 A3 51 TYR N 32 -0.400000 14.0067 0 + 486 A3 51 TYR H 1 0.250000 1.0080 0 + 487 A3 51 TYR CA 11 0.100000 13.0190 0 + 488 A3 51 TYR CB 12 0.000000 14.0270 0 + 489 A3 51 TYR CG 22 0.000000 12.0110 0 + 490 A3 51 TYR CD1 24 0.000000 13.0190 0 + 491 A3 51 TYR CE1 24 0.000000 13.0190 0 + 492 A3 51 TYR CD2 24 0.000000 13.0190 0 + 493 A3 51 TYR CE2 24 0.000000 13.0190 0 + 494 A3 51 TYR CZ 22 0.250000 12.0110 0 + 495 A3 51 TYR OH 45 -0.650000 15.9994 0 + 496 A3 51 TYR HH 8 0.400000 1.0080 0 + 497 A3 51 TYR C 14 0.600000 12.0110 0 + 498 A3 51 TYR O 40 -0.550000 15.9994 0 + 499 A3 52 TYR N 32 -0.400000 14.0067 0 + 500 A3 52 TYR H 1 0.250000 1.0080 0 + 501 A3 52 TYR CA 11 0.100000 13.0190 0 + 502 A3 52 TYR CB 12 0.000000 14.0270 0 + 503 A3 52 TYR CG 22 0.000000 12.0110 0 + 504 A3 52 TYR CD1 24 0.000000 13.0190 0 + 505 A3 52 TYR CE1 24 0.000000 13.0190 0 + 506 A3 52 TYR CD2 24 0.000000 13.0190 0 + 507 A3 52 TYR CE2 24 0.000000 13.0190 0 + 508 A3 52 TYR CZ 22 0.250000 12.0110 0 + 509 A3 52 TYR OH 45 -0.650000 15.9994 0 + 510 A3 52 TYR HH 8 0.400000 1.0080 0 + 511 A3 52 TYR C 14 0.600000 12.0110 0 + 512 A3 52 TYR O 40 -0.550000 15.9994 0 + 513 A3 53 GLN N 32 -0.400000 14.0067 0 + 514 A3 53 GLN H 1 0.250000 1.0080 0 + 515 A3 53 GLN CA 11 0.100000 13.0190 0 + 516 A3 53 GLN CB 12 0.000000 14.0270 0 + 517 A3 53 GLN CG 12 0.000000 14.0270 0 + 518 A3 53 GLN CD 14 0.550000 12.0110 0 + 519 A3 53 GLN OE1 40 -0.550000 15.9994 0 + 520 A3 53 GLN NE2 32 -0.600000 14.0067 0 + 521 A3 53 GLN HE21 1 0.300000 1.0080 0 + 522 A3 53 GLN HE22 1 0.300000 1.0080 0 + 523 A3 53 GLN C 14 0.600000 12.0110 0 + 524 A3 53 GLN O 40 -0.550000 15.9994 0 + 525 A3 54 ARG N 32 -0.400000 14.0067 0 + 526 A3 54 ARG H 1 0.250000 1.0080 0 + 527 A3 54 ARG CA 11 0.100000 13.0190 0 + 528 A3 54 ARG CB 12 0.000000 14.0270 0 + 529 A3 54 ARG CG 12 0.000000 14.0270 0 + 530 A3 54 ARG CD 12 0.100000 14.0270 0 + 531 A3 54 ARG NE 32 -0.400000 14.0067 0 + 532 A3 54 ARG HE 1 0.300000 1.0080 0 + 533 A3 54 ARG CZ 14 0.500000 12.0110 0 + 534 A3 54 ARG NH1 37 -0.450000 14.0067 0 + 535 A3 54 ARG HH11 2 0.350000 1.0080 0 + 536 A3 54 ARG HH12 2 0.350000 1.0080 0 + 537 A3 54 ARG NH2 37 -0.450000 14.0067 0 + 538 A3 54 ARG HH21 2 0.350000 1.0080 0 + 539 A3 54 ARG HH22 2 0.350000 1.0080 0 + 540 A3 54 ARG C 14 0.600000 12.0110 0 + 541 A3 54 ARG O 40 -0.550000 15.9994 0 + 542 A3 55 GLN N 32 -0.400000 14.0067 0 + 543 A3 55 GLN H 1 0.250000 1.0080 0 + 544 A3 55 GLN CA 11 0.100000 13.0190 0 + 545 A3 55 GLN CB 12 0.000000 14.0270 0 + 546 A3 55 GLN CG 12 0.000000 14.0270 0 + 547 A3 55 GLN CD 14 0.550000 12.0110 0 + 548 A3 55 GLN OE1 40 -0.550000 15.9994 0 + 549 A3 55 GLN NE2 32 -0.600000 14.0067 0 + 550 A3 55 GLN HE21 1 0.300000 1.0080 0 + 551 A3 55 GLN HE22 1 0.300000 1.0080 0 + 552 A3 55 GLN C 14 0.600000 12.0110 0 + 553 A3 55 GLN O 40 -0.550000 15.9994 0 + 554 A3 56 LEU N 32 -0.400000 14.0067 0 + 555 A3 56 LEU H 1 0.250000 1.0080 0 + 556 A3 56 LEU CA 11 0.100000 13.0190 0 + 557 A3 56 LEU CB 12 0.000000 14.0270 0 + 558 A3 56 LEU CG 11 0.000000 13.0190 0 + 559 A3 56 LEU CD1 13 0.000000 15.0350 0 + 560 A3 56 LEU CD2 13 0.000000 15.0350 0 + 561 A3 56 LEU C 14 0.600000 12.0110 0 + 562 A3 56 LEU O 40 -0.550000 15.9994 0 + 563 A3 57 SER N 32 -0.400000 14.0067 0 + 564 A3 57 SER H 1 0.250000 1.0080 0 + 565 A3 57 SER CA 11 0.100000 13.0190 0 + 566 A3 57 SER CB 12 0.250000 14.0270 0 + 567 A3 57 SER OG 45 -0.650000 15.9994 0 + 568 A3 57 SER HG 8 0.400000 1.0080 0 + 569 A3 57 SER C 14 0.600000 12.0110 0 + 570 A3 57 SER O 40 -0.550000 15.9994 0 + 571 A3 58 SER N 32 -0.400000 14.0067 0 + 572 A3 58 SER H 1 0.250000 1.0080 0 + 573 A3 58 SER CA 11 0.100000 13.0190 0 + 574 A3 58 SER CB 12 0.250000 14.0270 0 + 575 A3 58 SER OG 45 -0.650000 15.9994 0 + 576 A3 58 SER HG 8 0.400000 1.0080 0 + 577 A3 58 SER C 14 0.600000 12.0110 0 + 578 A3 58 SER O 40 -0.550000 15.9994 0 + 579 A3 59 THR N 32 -0.400000 14.0067 0 + 580 A3 59 THR H 1 0.250000 1.0080 0 + 581 A3 59 THR CA 11 0.100000 13.0190 0 + 582 A3 59 THR CB 11 0.250000 13.0190 0 + 583 A3 59 THR OG1 45 -0.650000 15.9994 0 + 584 A3 59 THR HG1 8 0.400000 1.0080 0 + 585 A3 59 THR CG2 13 0.000000 15.0350 0 + 586 A3 59 THR C 14 0.600000 12.0110 0 + 587 A3 59 THR O 40 -0.550000 15.9994 0 + 588 A3 60 TYR N 32 -0.400000 14.0067 0 + 589 A3 60 TYR H 1 0.250000 1.0080 0 + 590 A3 60 TYR CA 11 0.100000 13.0190 0 + 591 A3 60 TYR CB 12 0.000000 14.0270 0 + 592 A3 60 TYR CG 22 0.000000 12.0110 0 + 593 A3 60 TYR CD1 24 0.000000 13.0190 0 + 594 A3 60 TYR CE1 24 0.000000 13.0190 0 + 595 A3 60 TYR CD2 24 0.000000 13.0190 0 + 596 A3 60 TYR CE2 24 0.000000 13.0190 0 + 597 A3 60 TYR CZ 22 0.250000 12.0110 0 + 598 A3 60 TYR OH 45 -0.650000 15.9994 0 + 599 A3 60 TYR HH 8 0.400000 1.0080 0 + 600 A3 60 TYR C 14 0.600000 12.0110 0 + 601 A3 60 TYR O 40 -0.550000 15.9994 0 + 602 A3 61 ARG N 32 -0.400000 14.0067 0 + 603 A3 61 ARG H 1 0.250000 1.0080 0 + 604 A3 61 ARG CA 11 0.100000 13.0190 0 + 605 A3 61 ARG CB 12 0.000000 14.0270 0 + 606 A3 61 ARG CG 12 0.000000 14.0270 0 + 607 A3 61 ARG CD 12 0.100000 14.0270 0 + 608 A3 61 ARG NE 32 -0.400000 14.0067 0 + 609 A3 61 ARG HE 1 0.300000 1.0080 0 + 610 A3 61 ARG CZ 14 0.500000 12.0110 0 + 611 A3 61 ARG NH1 37 -0.450000 14.0067 0 + 612 A3 61 ARG HH11 2 0.350000 1.0080 0 + 613 A3 61 ARG HH12 2 0.350000 1.0080 0 + 614 A3 61 ARG NH2 37 -0.450000 14.0067 0 + 615 A3 61 ARG HH21 2 0.350000 1.0080 0 + 616 A3 61 ARG HH22 2 0.350000 1.0080 0 + 617 A3 61 ARG C 14 0.600000 12.0110 0 + 618 A3 61 ARG O 40 -0.550000 15.9994 0 + 619 A3 62 ASP N 32 -0.400000 14.0067 0 + 620 A3 62 ASP H 1 0.250000 1.0080 0 + 621 A3 62 ASP CA 11 0.100000 13.0190 0 + 622 A3 62 ASP CB 12 0.000000 14.0270 0 + 623 A3 62 ASP CG 14 0.140000 12.0110 0 + 624 A3 62 ASP OD1 43 -0.570000 15.9994 0 + 625 A3 62 ASP OD2 43 -0.570000 15.9994 0 + 626 A3 62 ASP C 14 0.600000 12.0110 0 + 627 A3 62 ASP O 40 -0.550000 15.9994 0 + 628 A3 63 LEU N 32 -0.400000 14.0067 0 + 629 A3 63 LEU H 1 0.250000 1.0080 0 + 630 A3 63 LEU CA 11 0.100000 13.0190 0 + 631 A3 63 LEU CB 12 0.000000 14.0270 0 + 632 A3 63 LEU CG 11 0.000000 13.0190 0 + 633 A3 63 LEU CD1 13 0.000000 15.0350 0 + 634 A3 63 LEU CD2 13 0.000000 15.0350 0 + 635 A3 63 LEU C 14 0.600000 12.0110 0 + 636 A3 63 LEU O 40 -0.550000 15.9994 0 + 637 A3 64 ARG N 32 -0.400000 14.0067 0 + 638 A3 64 ARG H 1 0.250000 1.0080 0 + 639 A3 64 ARG CA 11 0.100000 13.0190 0 + 640 A3 64 ARG CB 12 0.000000 14.0270 0 + 641 A3 64 ARG CG 12 0.000000 14.0270 0 + 642 A3 64 ARG CD 12 0.100000 14.0270 0 + 643 A3 64 ARG NE 32 -0.400000 14.0067 0 + 644 A3 64 ARG HE 1 0.300000 1.0080 0 + 645 A3 64 ARG CZ 14 0.500000 12.0110 0 + 646 A3 64 ARG NH1 37 -0.450000 14.0067 0 + 647 A3 64 ARG HH11 2 0.350000 1.0080 0 + 648 A3 64 ARG HH12 2 0.350000 1.0080 0 + 649 A3 64 ARG NH2 37 -0.450000 14.0067 0 + 650 A3 64 ARG HH21 2 0.350000 1.0080 0 + 651 A3 64 ARG HH22 2 0.350000 1.0080 0 + 652 A3 64 ARG C 14 0.600000 12.0110 0 + 653 A3 64 ARG O 40 -0.550000 15.9994 0 + 654 A3 65 LYS N 32 -0.400000 14.0067 0 + 655 A3 65 LYS H 1 0.250000 1.0080 0 + 656 A3 65 LYS CA 11 0.100000 13.0190 0 + 657 A3 65 LYS CB 12 0.000000 14.0270 0 + 658 A3 65 LYS CG 12 0.000000 14.0270 0 + 659 A3 65 LYS CD 12 0.000000 14.0270 0 + 660 A3 65 LYS CE 12 0.250000 14.0270 0 + 661 A3 65 LYS NZ 36 -0.300000 14.0067 0 + 662 A3 65 LYS HZ1 2 0.350000 1.0080 0 + 663 A3 65 LYS HZ2 2 0.350000 1.0080 0 + 664 A3 65 LYS HZ3 2 0.350000 1.0080 0 + 665 A3 65 LYS C 14 0.600000 12.0110 0 + 666 A3 65 LYS O 40 -0.550000 15.9994 0 + 667 A3 66 GLY N 32 -0.400000 14.0067 0 + 668 A3 66 GLY H 1 0.250000 1.0080 0 + 669 A3 66 GLY CA 12 0.100000 14.0270 0 + 670 A3 66 GLY C 14 0.600000 12.0110 0 + 671 A3 66 GLY O 40 -0.550000 15.9994 0 + 672 A3 67 VAL N 32 -0.400000 14.0067 0 + 673 A3 67 VAL H 1 0.250000 1.0080 0 + 674 A3 67 VAL CA 11 0.100000 13.0190 0 + 675 A3 67 VAL CB 11 0.000000 13.0190 0 + 676 A3 67 VAL CG1 13 0.000000 15.0350 0 + 677 A3 67 VAL CG2 13 0.000000 15.0350 0 + 678 A3 67 VAL C 14 0.600000 12.0110 0 + 679 A3 67 VAL O 40 -0.550000 15.9994 0 + 680 A3 68 TYR N 32 -0.400000 14.0067 0 + 681 A3 68 TYR H 1 0.250000 1.0080 0 + 682 A3 68 TYR CA 11 0.100000 13.0190 0 + 683 A3 68 TYR CB 12 0.000000 14.0270 0 + 684 A3 68 TYR CG 22 0.000000 12.0110 0 + 685 A3 68 TYR CD1 24 0.000000 13.0190 0 + 686 A3 68 TYR CE1 24 0.000000 13.0190 0 + 687 A3 68 TYR CD2 24 0.000000 13.0190 0 + 688 A3 68 TYR CE2 24 0.000000 13.0190 0 + 689 A3 68 TYR CZ 22 0.250000 12.0110 0 + 690 A3 68 TYR OH 45 -0.650000 15.9994 0 + 691 A3 68 TYR HH 8 0.400000 1.0080 0 + 692 A3 68 TYR C 14 0.600000 12.0110 0 + 693 A3 68 TYR O 40 -0.550000 15.9994 0 + 694 A3 69 VAL N 32 -0.400000 14.0067 0 + 695 A3 69 VAL H 1 0.250000 1.0080 0 + 696 A3 69 VAL CA 11 0.100000 13.0190 0 + 697 A3 69 VAL CB 11 0.000000 13.0190 0 + 698 A3 69 VAL CG1 13 0.000000 15.0350 0 + 699 A3 69 VAL CG2 13 0.000000 15.0350 0 + 700 A3 69 VAL C 14 0.600000 12.0110 0 + 701 A3 69 VAL O 40 -0.550000 15.9994 0 + 702 A3 70 PRO N 33 -0.250000 14.0067 0 + 703 A3 70 PRO CD 12 0.100000 14.0270 0 + 704 A3 70 PRO CA 11 0.100000 13.0190 0 + 705 A3 70 PRO CB 12 0.000000 14.0270 0 + 706 A3 70 PRO CG 12 0.000000 14.0270 0 + 707 A3 70 PRO C 14 0.600000 12.0110 0 + 708 A3 70 PRO O 40 -0.550000 15.9994 0 + 709 A3 71 TYR N 32 -0.400000 14.0067 0 + 710 A3 71 TYR H 1 0.250000 1.0080 0 + 711 A3 71 TYR CA 11 0.100000 13.0190 0 + 712 A3 71 TYR CB 12 0.000000 14.0270 0 + 713 A3 71 TYR CG 22 0.000000 12.0110 0 + 714 A3 71 TYR CD1 24 0.000000 13.0190 0 + 715 A3 71 TYR CE1 24 0.000000 13.0190 0 + 716 A3 71 TYR CD2 24 0.000000 13.0190 0 + 717 A3 71 TYR CE2 24 0.000000 13.0190 0 + 718 A3 71 TYR CZ 22 0.250000 12.0110 0 + 719 A3 71 TYR OH 45 -0.650000 15.9994 0 + 720 A3 71 TYR HH 8 0.400000 1.0080 0 + 721 A3 71 TYR C 14 0.600000 12.0110 0 + 722 A3 71 TYR O 40 -0.550000 15.9994 0 + 723 A3 72 THR N 32 -0.400000 14.0067 0 + 724 A3 72 THR H 1 0.250000 1.0080 0 + 725 A3 72 THR CA 11 0.100000 13.0190 0 + 726 A3 72 THR CB 11 0.250000 13.0190 0 + 727 A3 72 THR OG1 45 -0.650000 15.9994 0 + 728 A3 72 THR HG1 8 0.400000 1.0080 0 + 729 A3 72 THR CG2 13 0.000000 15.0350 0 + 730 A3 72 THR C 14 0.600000 12.0110 0 + 731 A3 72 THR O 40 -0.550000 15.9994 0 + 732 A3 73 GLN N 32 -0.400000 14.0067 0 + 733 A3 73 GLN H 1 0.250000 1.0080 0 + 734 A3 73 GLN CA 11 0.100000 13.0190 0 + 735 A3 73 GLN CB 12 0.000000 14.0270 0 + 736 A3 73 GLN CG 12 0.000000 14.0270 0 + 737 A3 73 GLN CD 14 0.550000 12.0110 0 + 738 A3 73 GLN OE1 40 -0.550000 15.9994 0 + 739 A3 73 GLN NE2 32 -0.600000 14.0067 0 + 740 A3 73 GLN HE21 1 0.300000 1.0080 0 + 741 A3 73 GLN HE22 1 0.300000 1.0080 0 + 742 A3 73 GLN C 14 0.600000 12.0110 0 + 743 A3 73 GLN O 40 -0.550000 15.9994 0 + 744 A3 74 GLY N 32 -0.400000 14.0067 0 + 745 A3 74 GLY H 1 0.250000 1.0080 0 + 746 A3 74 GLY CA 12 0.100000 14.0270 0 + 747 A3 74 GLY C 14 0.600000 12.0110 0 + 748 A3 74 GLY O 40 -0.550000 15.9994 0 + 749 A3 75 LYS N 32 -0.400000 14.0067 0 + 750 A3 75 LYS H 1 0.250000 1.0080 0 + 751 A3 75 LYS CA 11 0.100000 13.0190 0 + 752 A3 75 LYS CB 12 0.000000 14.0270 0 + 753 A3 75 LYS CG 12 0.000000 14.0270 0 + 754 A3 75 LYS CD 12 0.000000 14.0270 0 + 755 A3 75 LYS CE 12 0.250000 14.0270 0 + 756 A3 75 LYS NZ 36 -0.300000 14.0067 0 + 757 A3 75 LYS HZ1 2 0.350000 1.0080 0 + 758 A3 75 LYS HZ2 2 0.350000 1.0080 0 + 759 A3 75 LYS HZ3 2 0.350000 1.0080 0 + 760 A3 75 LYS C 14 0.600000 12.0110 0 + 761 A3 75 LYS O 40 -0.550000 15.9994 0 + 762 A3 76 TRP N 32 -0.400000 14.0067 0 + 763 A3 76 TRP H 1 0.250000 1.0080 0 + 764 A3 76 TRP CA 11 0.100000 13.0190 0 + 765 A3 76 TRP CB 12 0.000000 14.0270 0 + 766 A3 76 TRP CG 21 -0.030000 12.0110 0 + 767 A3 76 TRP CD2 26 0.100000 12.0110 0 + 768 A3 76 TRP CE2 26 -0.040000 12.0110 0 + 769 A3 76 TRP CE3 24 -0.030000 13.0190 0 + 770 A3 76 TRP CD1 23 0.060000 13.0190 0 + 771 A3 76 TRP NE1 34 -0.360000 14.0067 0 + 772 A3 76 TRP HE1 1 0.300000 1.0080 0 + 773 A3 76 TRP CZ2 24 0.000000 13.0190 0 + 774 A3 76 TRP CZ3 24 0.000000 13.0190 0 + 775 A3 76 TRP CH2 24 0.000000 13.0190 0 + 776 A3 76 TRP C 14 0.600000 12.0110 0 + 777 A3 76 TRP O 40 -0.550000 15.9994 0 + 778 A3 77 GLU N 32 -0.400000 14.0067 0 + 779 A3 77 GLU H 1 0.250000 1.0080 0 + 780 A3 77 GLU CA 11 0.100000 13.0190 0 + 781 A3 77 GLU CB 12 0.000000 14.0270 0 + 782 A3 77 GLU CG 12 0.000000 14.0270 0 + 783 A3 77 GLU CD 14 0.140000 12.0110 0 + 784 A3 77 GLU OE1 43 -0.570000 15.9994 0 + 785 A3 77 GLU OE2 43 -0.570000 15.9994 0 + 786 A3 77 GLU C 14 0.600000 12.0110 0 + 787 A3 77 GLU O 40 -0.550000 15.9994 0 + 788 A3 78 GLY N 32 -0.400000 14.0067 0 + 789 A3 78 GLY H 1 0.250000 1.0080 0 + 790 A3 78 GLY CA 12 0.100000 14.0270 0 + 791 A3 78 GLY C 14 0.600000 12.0110 0 + 792 A3 78 GLY O 40 -0.550000 15.9994 0 + 793 A3 79 GLU N 32 -0.400000 14.0067 0 + 794 A3 79 GLU H 1 0.250000 1.0080 0 + 795 A3 79 GLU CA 11 0.100000 13.0190 0 + 796 A3 79 GLU CB 12 0.000000 14.0270 0 + 797 A3 79 GLU CG 12 0.000000 14.0270 0 + 798 A3 79 GLU CD 14 0.140000 12.0110 0 + 799 A3 79 GLU OE1 43 -0.570000 15.9994 0 + 800 A3 79 GLU OE2 43 -0.570000 15.9994 0 + 801 A3 79 GLU C 14 0.600000 12.0110 0 + 802 A3 79 GLU O 40 -0.550000 15.9994 0 + 803 A3 80 LEU N 32 -0.400000 14.0067 0 + 804 A3 80 LEU H 1 0.250000 1.0080 0 + 805 A3 80 LEU CA 11 0.100000 13.0190 0 + 806 A3 80 LEU CB 12 0.000000 14.0270 0 + 807 A3 80 LEU CG 11 0.000000 13.0190 0 + 808 A3 80 LEU CD1 13 0.000000 15.0350 0 + 809 A3 80 LEU CD2 13 0.000000 15.0350 0 + 810 A3 80 LEU C 14 0.600000 12.0110 0 + 811 A3 80 LEU O 40 -0.550000 15.9994 0 + 812 A3 81 GLY N 32 -0.400000 14.0067 0 + 813 A3 81 GLY H 1 0.250000 1.0080 0 + 814 A3 81 GLY CA 12 0.100000 14.0270 0 + 815 A3 81 GLY C 14 0.600000 12.0110 0 + 816 A3 81 GLY O 40 -0.550000 15.9994 0 + 817 A3 82 THR N 32 -0.400000 14.0067 0 + 818 A3 82 THR H 1 0.250000 1.0080 0 + 819 A3 82 THR CA 11 0.100000 13.0190 0 + 820 A3 82 THR CB 11 0.250000 13.0190 0 + 821 A3 82 THR OG1 45 -0.650000 15.9994 0 + 822 A3 82 THR HG1 8 0.400000 1.0080 0 + 823 A3 82 THR CG2 13 0.000000 15.0350 0 + 824 A3 82 THR C 14 0.600000 12.0110 0 + 825 A3 82 THR O 40 -0.550000 15.9994 0 + 826 A3 83 ASP N 32 -0.400000 14.0067 0 + 827 A3 83 ASP H 1 0.250000 1.0080 0 + 828 A3 83 ASP CA 11 0.100000 13.0190 0 + 829 A3 83 ASP CB 12 0.000000 14.0270 0 + 830 A3 83 ASP CG 14 0.140000 12.0110 0 + 831 A3 83 ASP OD1 43 -0.570000 15.9994 0 + 832 A3 83 ASP OD2 43 -0.570000 15.9994 0 + 833 A3 83 ASP C 14 0.600000 12.0110 0 + 834 A3 83 ASP O 40 -0.550000 15.9994 0 + 835 A3 84 LEU N 32 -0.400000 14.0067 0 + 836 A3 84 LEU H 1 0.250000 1.0080 0 + 837 A3 84 LEU CA 11 0.100000 13.0190 0 + 838 A3 84 LEU CB 12 0.000000 14.0270 0 + 839 A3 84 LEU CG 11 0.000000 13.0190 0 + 840 A3 84 LEU CD1 13 0.000000 15.0350 0 + 841 A3 84 LEU CD2 13 0.000000 15.0350 0 + 842 A3 84 LEU C 14 0.600000 12.0110 0 + 843 A3 84 LEU O 40 -0.550000 15.9994 0 + 844 A3 85 VAL N 32 -0.400000 14.0067 0 + 845 A3 85 VAL H 1 0.250000 1.0080 0 + 846 A3 85 VAL CA 11 0.100000 13.0190 0 + 847 A3 85 VAL CB 11 0.000000 13.0190 0 + 848 A3 85 VAL CG1 13 0.000000 15.0350 0 + 849 A3 85 VAL CG2 13 0.000000 15.0350 0 + 850 A3 85 VAL C 14 0.600000 12.0110 0 + 851 A3 85 VAL O 40 -0.550000 15.9994 0 + 852 A3 86 SER N 32 -0.400000 14.0067 0 + 853 A3 86 SER H 1 0.250000 1.0080 0 + 854 A3 86 SER CA 11 0.100000 13.0190 0 + 855 A3 86 SER CB 12 0.250000 14.0270 0 + 856 A3 86 SER OG 45 -0.650000 15.9994 0 + 857 A3 86 SER HG 8 0.400000 1.0080 0 + 858 A3 86 SER C 14 0.600000 12.0110 0 + 859 A3 86 SER O 40 -0.550000 15.9994 0 + 860 A3 87 ILE N 32 -0.400000 14.0067 0 + 861 A3 87 ILE H 1 0.250000 1.0080 0 + 862 A3 87 ILE CA 11 0.100000 13.0190 0 + 863 A3 87 ILE CB 11 0.000000 13.0190 0 + 864 A3 87 ILE CG2 13 0.000000 15.0350 0 + 865 A3 87 ILE CG1 12 0.000000 14.0270 0 + 866 A3 87 ILE CD1 13 0.000000 15.0350 0 + 867 A3 87 ILE C 14 0.600000 12.0110 0 + 868 A3 87 ILE O 40 -0.550000 15.9994 0 + 869 A3 88 PRO N 33 -0.250000 14.0067 0 + 870 A3 88 PRO CD 12 0.100000 14.0270 0 + 871 A3 88 PRO CA 11 0.100000 13.0190 0 + 872 A3 88 PRO CB 12 0.000000 14.0270 0 + 873 A3 88 PRO CG 12 0.000000 14.0270 0 + 874 A3 88 PRO C 14 0.600000 12.0110 0 + 875 A3 88 PRO O 40 -0.550000 15.9994 0 + 876 A3 89 HIS N 32 -0.400000 14.0067 0 + 877 A3 89 HIS H 1 0.250000 1.0080 0 + 878 A3 89 HIS CA 11 0.100000 13.0190 0 + 879 A3 89 HIS CB 12 0.000000 14.0270 0 + 880 A3 89 HIS CG 21 0.100000 12.0110 0 + 881 A3 89 HIS ND1 34 -0.400000 14.0067 0 + 882 A3 89 HIS HD1 1 0.300000 1.0080 0 + 883 A3 89 HIS CD2 23 0.100000 13.0190 0 + 884 A3 89 HIS NE2 34 -0.400000 14.0067 0 + 885 A3 89 HIS CE1 23 0.300000 13.0190 0 + 886 A3 89 HIS C 14 0.600000 12.0110 0 + 887 A3 89 HIS O 40 -0.550000 15.9994 0 + 888 A3 90 GLY N 32 -0.400000 14.0067 0 + 889 A3 90 GLY H 1 0.250000 1.0080 0 + 890 A3 90 GLY CA 12 0.100000 14.0270 0 + 891 A3 90 GLY C 14 0.600000 12.0110 0 + 892 A3 90 GLY O 40 -0.550000 15.9994 0 + 893 A3 91 PRO N 33 -0.250000 14.0067 0 + 894 A3 91 PRO CD 12 0.100000 14.0270 0 + 895 A3 91 PRO CA 11 0.100000 13.0190 0 + 896 A3 91 PRO CB 12 0.000000 14.0270 0 + 897 A3 91 PRO CG 12 0.000000 14.0270 0 + 898 A3 91 PRO C 14 0.600000 12.0110 0 + 899 A3 91 PRO O 40 -0.550000 15.9994 0 + 900 A3 92 ASN N 32 -0.400000 14.0067 0 + 901 A3 92 ASN H 1 0.250000 1.0080 0 + 902 A3 92 ASN CA 11 0.100000 13.0190 0 + 903 A3 92 ASN CB 12 0.000000 14.0270 0 + 904 A3 92 ASN CG 14 0.550000 12.0110 0 + 905 A3 92 ASN OD1 40 -0.550000 15.9994 0 + 906 A3 92 ASN ND2 32 -0.600000 14.0067 0 + 907 A3 92 ASN HD21 1 0.300000 1.0080 0 + 908 A3 92 ASN HD22 1 0.300000 1.0080 0 + 909 A3 92 ASN C 14 0.600000 12.0110 0 + 910 A3 92 ASN O 40 -0.550000 15.9994 0 + 911 A3 93 VAL N 32 -0.400000 14.0067 0 + 912 A3 93 VAL H 1 0.250000 1.0080 0 + 913 A3 93 VAL CA 11 0.100000 13.0190 0 + 914 A3 93 VAL CB 11 0.000000 13.0190 0 + 915 A3 93 VAL CG1 13 0.000000 15.0350 0 + 916 A3 93 VAL CG2 13 0.000000 15.0350 0 + 917 A3 93 VAL C 14 0.600000 12.0110 0 + 918 A3 93 VAL O 40 -0.550000 15.9994 0 + 919 A3 94 THR N 32 -0.400000 14.0067 0 + 920 A3 94 THR H 1 0.250000 1.0080 0 + 921 A3 94 THR CA 11 0.100000 13.0190 0 + 922 A3 94 THR CB 11 0.250000 13.0190 0 + 923 A3 94 THR OG1 45 -0.650000 15.9994 0 + 924 A3 94 THR HG1 8 0.400000 1.0080 0 + 925 A3 94 THR CG2 13 0.000000 15.0350 0 + 926 A3 94 THR C 14 0.600000 12.0110 0 + 927 A3 94 THR O 40 -0.550000 15.9994 0 + 928 A3 95 VAL N 32 -0.400000 14.0067 0 + 929 A3 95 VAL H 1 0.250000 1.0080 0 + 930 A3 95 VAL CA 11 0.100000 13.0190 0 + 931 A3 95 VAL CB 11 0.000000 13.0190 0 + 932 A3 95 VAL CG1 13 0.000000 15.0350 0 + 933 A3 95 VAL CG2 13 0.000000 15.0350 0 + 934 A3 95 VAL C 14 0.600000 12.0110 0 + 935 A3 95 VAL O 40 -0.550000 15.9994 0 + 936 A3 96 ARG N 32 -0.400000 14.0067 0 + 937 A3 96 ARG H 1 0.250000 1.0080 0 + 938 A3 96 ARG CA 11 0.100000 13.0190 0 + 939 A3 96 ARG CB 12 0.000000 14.0270 0 + 940 A3 96 ARG CG 12 0.000000 14.0270 0 + 941 A3 96 ARG CD 12 0.100000 14.0270 0 + 942 A3 96 ARG NE 32 -0.400000 14.0067 0 + 943 A3 96 ARG HE 1 0.300000 1.0080 0 + 944 A3 96 ARG CZ 14 0.500000 12.0110 0 + 945 A3 96 ARG NH1 37 -0.450000 14.0067 0 + 946 A3 96 ARG HH11 2 0.350000 1.0080 0 + 947 A3 96 ARG HH12 2 0.350000 1.0080 0 + 948 A3 96 ARG NH2 37 -0.450000 14.0067 0 + 949 A3 96 ARG HH21 2 0.350000 1.0080 0 + 950 A3 96 ARG HH22 2 0.350000 1.0080 0 + 951 A3 96 ARG C 14 0.600000 12.0110 0 + 952 A3 96 ARG O 40 -0.550000 15.9994 0 + 953 A3 97 ALA N 32 -0.400000 14.0067 0 + 954 A3 97 ALA H 1 0.250000 1.0080 0 + 955 A3 97 ALA CA 11 0.100000 13.0190 0 + 956 A3 97 ALA CB 13 0.000000 15.0350 0 + 957 A3 97 ALA C 14 0.600000 12.0110 0 + 958 A3 97 ALA O 40 -0.550000 15.9994 0 + 959 A3 98 ASN N 32 -0.400000 14.0067 0 + 960 A3 98 ASN H 1 0.250000 1.0080 0 + 961 A3 98 ASN CA 11 0.100000 13.0190 0 + 962 A3 98 ASN CB 12 0.000000 14.0270 0 + 963 A3 98 ASN CG 14 0.550000 12.0110 0 + 964 A3 98 ASN OD1 40 -0.550000 15.9994 0 + 965 A3 98 ASN ND2 32 -0.600000 14.0067 0 + 966 A3 98 ASN HD21 1 0.300000 1.0080 0 + 967 A3 98 ASN HD22 1 0.300000 1.0080 0 + 968 A3 98 ASN C 14 0.600000 12.0110 0 + 969 A3 98 ASN O 40 -0.550000 15.9994 0 + 970 A3 99 ILE N 32 -0.400000 14.0067 0 + 971 A3 99 ILE H 1 0.250000 1.0080 0 + 972 A3 99 ILE CA 11 0.100000 13.0190 0 + 973 A3 99 ILE CB 11 0.000000 13.0190 0 + 974 A3 99 ILE CG2 13 0.000000 15.0350 0 + 975 A3 99 ILE CG1 12 0.000000 14.0270 0 + 976 A3 99 ILE CD1 13 0.000000 15.0350 0 + 977 A3 99 ILE C 14 0.600000 12.0110 0 + 978 A3 99 ILE O 40 -0.550000 15.9994 0 + 979 A3 100 ALA N 32 -0.400000 14.0067 0 + 980 A3 100 ALA H 1 0.250000 1.0080 0 + 981 A3 100 ALA CA 11 0.100000 13.0190 0 + 982 A3 100 ALA CB 13 0.000000 15.0350 0 + 983 A3 100 ALA C 14 0.600000 12.0110 0 + 984 A3 100 ALA O 40 -0.550000 15.9994 0 + 985 A3 101 ALA N 32 -0.400000 14.0067 0 + 986 A3 101 ALA H 1 0.250000 1.0080 0 + 987 A3 101 ALA CA 11 0.100000 13.0190 0 + 988 A3 101 ALA CB 13 0.000000 15.0350 0 + 989 A3 101 ALA C 14 0.600000 12.0110 0 + 990 A3 101 ALA O 40 -0.550000 15.9994 0 + 991 A3 102 ILE N 32 -0.400000 14.0067 0 + 992 A3 102 ILE H 1 0.250000 1.0080 0 + 993 A3 102 ILE CA 11 0.100000 13.0190 0 + 994 A3 102 ILE CB 11 0.000000 13.0190 0 + 995 A3 102 ILE CG2 13 0.000000 15.0350 0 + 996 A3 102 ILE CG1 12 0.000000 14.0270 0 + 997 A3 102 ILE CD1 13 0.000000 15.0350 0 + 998 A3 102 ILE C 14 0.600000 12.0110 0 + 999 A3 102 ILE O 40 -0.550000 15.9994 0 + 1000 A3 103 THR N 32 -0.400000 14.0067 0 + 1001 A3 103 THR H 1 0.250000 1.0080 0 + 1002 A3 103 THR CA 11 0.100000 13.0190 0 + 1003 A3 103 THR CB 11 0.250000 13.0190 0 + 1004 A3 103 THR OG1 45 -0.650000 15.9994 0 + 1005 A3 103 THR HG1 8 0.400000 1.0080 0 + 1006 A3 103 THR CG2 13 0.000000 15.0350 0 + 1007 A3 103 THR C 14 0.600000 12.0110 0 + 1008 A3 103 THR O 40 -0.550000 15.9994 0 + 1009 A3 104 GLU N 32 -0.400000 14.0067 0 + 1010 A3 104 GLU H 1 0.250000 1.0080 0 + 1011 A3 104 GLU CA 11 0.100000 13.0190 0 + 1012 A3 104 GLU CB 12 0.000000 14.0270 0 + 1013 A3 104 GLU CG 12 0.000000 14.0270 0 + 1014 A3 104 GLU CD 14 0.140000 12.0110 0 + 1015 A3 104 GLU OE1 43 -0.570000 15.9994 0 + 1016 A3 104 GLU OE2 43 -0.570000 15.9994 0 + 1017 A3 104 GLU C 14 0.600000 12.0110 0 + 1018 A3 104 GLU O 40 -0.550000 15.9994 0 + 1019 A3 105 SER N 32 -0.400000 14.0067 0 + 1020 A3 105 SER H 1 0.250000 1.0080 0 + 1021 A3 105 SER CA 11 0.100000 13.0190 0 + 1022 A3 105 SER CB 12 0.250000 14.0270 0 + 1023 A3 105 SER OG 45 -0.650000 15.9994 0 + 1024 A3 105 SER HG 8 0.400000 1.0080 0 + 1025 A3 105 SER C 14 0.600000 12.0110 0 + 1026 A3 105 SER O 40 -0.550000 15.9994 0 + 1027 A3 106 ASP N 32 -0.400000 14.0067 0 + 1028 A3 106 ASP H 1 0.250000 1.0080 0 + 1029 A3 106 ASP CA 11 0.100000 13.0190 0 + 1030 A3 106 ASP CB 12 0.000000 14.0270 0 + 1031 A3 106 ASP CG 14 0.140000 12.0110 0 + 1032 A3 106 ASP OD1 43 -0.570000 15.9994 0 + 1033 A3 106 ASP OD2 43 -0.570000 15.9994 0 + 1034 A3 106 ASP C 14 0.600000 12.0110 0 + 1035 A3 106 ASP O 40 -0.550000 15.9994 0 + 1036 A3 107 LYS N 32 -0.400000 14.0067 0 + 1037 A3 107 LYS H 1 0.250000 1.0080 0 + 1038 A3 107 LYS CA 11 0.100000 13.0190 0 + 1039 A3 107 LYS CB 12 0.000000 14.0270 0 + 1040 A3 107 LYS CG 12 0.000000 14.0270 0 + 1041 A3 107 LYS CD 12 0.000000 14.0270 0 + 1042 A3 107 LYS CE 12 0.250000 14.0270 0 + 1043 A3 107 LYS NZ 36 -0.300000 14.0067 0 + 1044 A3 107 LYS HZ1 2 0.350000 1.0080 0 + 1045 A3 107 LYS HZ2 2 0.350000 1.0080 0 + 1046 A3 107 LYS HZ3 2 0.350000 1.0080 0 + 1047 A3 107 LYS C 14 0.600000 12.0110 0 + 1048 A3 107 LYS O 40 -0.550000 15.9994 0 + 1049 A3 108 PHE N 32 -0.400000 14.0067 0 + 1050 A3 108 PHE H 1 0.250000 1.0080 0 + 1051 A3 108 PHE CA 11 0.100000 13.0190 0 + 1052 A3 108 PHE CB 12 0.000000 14.0270 0 + 1053 A3 108 PHE CG 22 0.000000 12.0110 0 + 1054 A3 108 PHE CD1 24 0.000000 13.0190 0 + 1055 A3 108 PHE CD2 24 0.000000 13.0190 0 + 1056 A3 108 PHE CE1 24 0.000000 13.0190 0 + 1057 A3 108 PHE CE2 24 0.000000 13.0190 0 + 1058 A3 108 PHE CZ 24 0.000000 13.0190 0 + 1059 A3 108 PHE C 14 0.600000 12.0110 0 + 1060 A3 108 PHE O 40 -0.550000 15.9994 0 + 1061 A3 109 PHE N 32 -0.400000 14.0067 0 + 1062 A3 109 PHE H 1 0.250000 1.0080 0 + 1063 A3 109 PHE CA 11 0.100000 13.0190 0 + 1064 A3 109 PHE CB 12 0.000000 14.0270 0 + 1065 A3 109 PHE CG 22 0.000000 12.0110 0 + 1066 A3 109 PHE CD1 24 0.000000 13.0190 0 + 1067 A3 109 PHE CD2 24 0.000000 13.0190 0 + 1068 A3 109 PHE CE1 24 0.000000 13.0190 0 + 1069 A3 109 PHE CE2 24 0.000000 13.0190 0 + 1070 A3 109 PHE CZ 24 0.000000 13.0190 0 + 1071 A3 109 PHE C 14 0.600000 12.0110 0 + 1072 A3 109 PHE O 40 -0.550000 15.9994 0 + 1073 A3 110 ILE N 32 -0.400000 14.0067 0 + 1074 A3 110 ILE H 1 0.250000 1.0080 0 + 1075 A3 110 ILE CA 11 0.100000 13.0190 0 + 1076 A3 110 ILE CB 11 0.000000 13.0190 0 + 1077 A3 110 ILE CG2 13 0.000000 15.0350 0 + 1078 A3 110 ILE CG1 12 0.000000 14.0270 0 + 1079 A3 110 ILE CD1 13 0.000000 15.0350 0 + 1080 A3 110 ILE C 14 0.600000 12.0110 0 + 1081 A3 110 ILE O 40 -0.550000 15.9994 0 + 1082 A3 111 ASN N 32 -0.400000 14.0067 0 + 1083 A3 111 ASN H 1 0.250000 1.0080 0 + 1084 A3 111 ASN CA 11 0.100000 13.0190 0 + 1085 A3 111 ASN CB 12 0.000000 14.0270 0 + 1086 A3 111 ASN CG 14 0.550000 12.0110 0 + 1087 A3 111 ASN OD1 40 -0.550000 15.9994 0 + 1088 A3 111 ASN ND2 32 -0.600000 14.0067 0 + 1089 A3 111 ASN HD21 1 0.300000 1.0080 0 + 1090 A3 111 ASN HD22 1 0.300000 1.0080 0 + 1091 A3 111 ASN C 14 0.600000 12.0110 0 + 1092 A3 111 ASN O 40 -0.550000 15.9994 0 + 1093 A3 112 GLY N 32 -0.400000 14.0067 0 + 1094 A3 112 GLY H 1 0.250000 1.0080 0 + 1095 A3 112 GLY CA 12 0.100000 14.0270 0 + 1096 A3 112 GLY C 14 0.600000 12.0110 0 + 1097 A3 112 GLY O 40 -0.550000 15.9994 0 + 1098 A3 113 SER N 32 -0.400000 14.0067 0 + 1099 A3 113 SER H 1 0.250000 1.0080 0 + 1100 A3 113 SER CA 11 0.100000 13.0190 0 + 1101 A3 113 SER CB 12 0.250000 14.0270 0 + 1102 A3 113 SER OG 45 -0.650000 15.9994 0 + 1103 A3 113 SER HG 8 0.400000 1.0080 0 + 1104 A3 113 SER C 14 0.600000 12.0110 0 + 1105 A3 113 SER O 40 -0.550000 15.9994 0 + 1106 A3 114 ASN N 32 -0.400000 14.0067 0 + 1107 A3 114 ASN H 1 0.250000 1.0080 0 + 1108 A3 114 ASN CA 11 0.100000 13.0190 0 + 1109 A3 114 ASN CB 12 0.000000 14.0270 0 + 1110 A3 114 ASN CG 14 0.550000 12.0110 0 + 1111 A3 114 ASN OD1 40 -0.550000 15.9994 0 + 1112 A3 114 ASN ND2 32 -0.600000 14.0067 0 + 1113 A3 114 ASN HD21 1 0.300000 1.0080 0 + 1114 A3 114 ASN HD22 1 0.300000 1.0080 0 + 1115 A3 114 ASN C 14 0.600000 12.0110 0 + 1116 A3 114 ASN O 40 -0.550000 15.9994 0 + 1117 A3 115 TRP N 32 -0.400000 14.0067 0 + 1118 A3 115 TRP H 1 0.250000 1.0080 0 + 1119 A3 115 TRP CA 11 0.100000 13.0190 0 + 1120 A3 115 TRP CB 12 0.000000 14.0270 0 + 1121 A3 115 TRP CG 21 -0.030000 12.0110 0 + 1122 A3 115 TRP CD2 26 0.100000 12.0110 0 + 1123 A3 115 TRP CE2 26 -0.040000 12.0110 0 + 1124 A3 115 TRP CE3 24 -0.030000 13.0190 0 + 1125 A3 115 TRP CD1 23 0.060000 13.0190 0 + 1126 A3 115 TRP NE1 34 -0.360000 14.0067 0 + 1127 A3 115 TRP HE1 1 0.300000 1.0080 0 + 1128 A3 115 TRP CZ2 24 0.000000 13.0190 0 + 1129 A3 115 TRP CZ3 24 0.000000 13.0190 0 + 1130 A3 115 TRP CH2 24 0.000000 13.0190 0 + 1131 A3 115 TRP C 14 0.600000 12.0110 0 + 1132 A3 115 TRP O 40 -0.550000 15.9994 0 + 1133 A3 116 GLU N 32 -0.400000 14.0067 0 + 1134 A3 116 GLU H 1 0.250000 1.0080 0 + 1135 A3 116 GLU CA 11 0.100000 13.0190 0 + 1136 A3 116 GLU CB 12 0.000000 14.0270 0 + 1137 A3 116 GLU CG 12 0.000000 14.0270 0 + 1138 A3 116 GLU CD 14 0.140000 12.0110 0 + 1139 A3 116 GLU OE1 43 -0.570000 15.9994 0 + 1140 A3 116 GLU OE2 43 -0.570000 15.9994 0 + 1141 A3 116 GLU C 14 0.600000 12.0110 0 + 1142 A3 116 GLU O 40 -0.550000 15.9994 0 + 1143 A3 117 GLY N 32 -0.400000 14.0067 0 + 1144 A3 117 GLY H 1 0.250000 1.0080 0 + 1145 A3 117 GLY CA 12 0.100000 14.0270 0 + 1146 A3 117 GLY C 14 0.600000 12.0110 0 + 1147 A3 117 GLY O 40 -0.550000 15.9994 0 + 1148 A3 118 ILE N 32 -0.400000 14.0067 0 + 1149 A3 118 ILE H 1 0.250000 1.0080 0 + 1150 A3 118 ILE CA 11 0.100000 13.0190 0 + 1151 A3 118 ILE CB 11 0.000000 13.0190 0 + 1152 A3 118 ILE CG2 13 0.000000 15.0350 0 + 1153 A3 118 ILE CG1 12 0.000000 14.0270 0 + 1154 A3 118 ILE CD1 13 0.000000 15.0350 0 + 1155 A3 118 ILE C 14 0.600000 12.0110 0 + 1156 A3 118 ILE O 40 -0.550000 15.9994 0 + 1157 A3 119 LEU N 32 -0.400000 14.0067 0 + 1158 A3 119 LEU H 1 0.250000 1.0080 0 + 1159 A3 119 LEU CA 11 0.100000 13.0190 0 + 1160 A3 119 LEU CB 12 0.000000 14.0270 0 + 1161 A3 119 LEU CG 11 0.000000 13.0190 0 + 1162 A3 119 LEU CD1 13 0.000000 15.0350 0 + 1163 A3 119 LEU CD2 13 0.000000 15.0350 0 + 1164 A3 119 LEU C 14 0.600000 12.0110 0 + 1165 A3 119 LEU O 40 -0.550000 15.9994 0 + 1166 A3 120 GLY N 32 -0.400000 14.0067 0 + 1167 A3 120 GLY H 1 0.250000 1.0080 0 + 1168 A3 120 GLY CA 12 0.100000 14.0270 0 + 1169 A3 120 GLY C 14 0.600000 12.0110 0 + 1170 A3 120 GLY O 40 -0.550000 15.9994 0 + 1171 A3 121 LEU N 32 -0.400000 14.0067 0 + 1172 A3 121 LEU H 1 0.250000 1.0080 0 + 1173 A3 121 LEU CA 11 0.100000 13.0190 0 + 1174 A3 121 LEU CB 12 0.000000 14.0270 0 + 1175 A3 121 LEU CG 11 0.000000 13.0190 0 + 1176 A3 121 LEU CD1 13 0.000000 15.0350 0 + 1177 A3 121 LEU CD2 13 0.000000 15.0350 0 + 1178 A3 121 LEU C 14 0.600000 12.0110 0 + 1179 A3 121 LEU O 40 -0.550000 15.9994 0 + 1180 A3 122 ALA N 32 -0.400000 14.0067 0 + 1181 A3 122 ALA H 1 0.250000 1.0080 0 + 1182 A3 122 ALA CA 11 0.100000 13.0190 0 + 1183 A3 122 ALA CB 13 0.000000 15.0350 0 + 1184 A3 122 ALA C 14 0.600000 12.0110 0 + 1185 A3 122 ALA O 40 -0.550000 15.9994 0 + 1186 A3 123 TYR N 32 -0.400000 14.0067 0 + 1187 A3 123 TYR H 1 0.250000 1.0080 0 + 1188 A3 123 TYR CA 11 0.100000 13.0190 0 + 1189 A3 123 TYR CB 12 0.000000 14.0270 0 + 1190 A3 123 TYR CG 22 0.000000 12.0110 0 + 1191 A3 123 TYR CD1 24 0.000000 13.0190 0 + 1192 A3 123 TYR CE1 24 0.000000 13.0190 0 + 1193 A3 123 TYR CD2 24 0.000000 13.0190 0 + 1194 A3 123 TYR CE2 24 0.000000 13.0190 0 + 1195 A3 123 TYR CZ 22 0.250000 12.0110 0 + 1196 A3 123 TYR OH 45 -0.650000 15.9994 0 + 1197 A3 123 TYR HH 8 0.400000 1.0080 0 + 1198 A3 123 TYR C 14 0.600000 12.0110 0 + 1199 A3 123 TYR O 40 -0.550000 15.9994 0 + 1200 A3 124 ALA N 32 -0.400000 14.0067 0 + 1201 A3 124 ALA H 1 0.250000 1.0080 0 + 1202 A3 124 ALA CA 11 0.100000 13.0190 0 + 1203 A3 124 ALA CB 13 0.000000 15.0350 0 + 1204 A3 124 ALA C 14 0.600000 12.0110 0 + 1205 A3 124 ALA O 40 -0.550000 15.9994 0 + 1206 A3 125 GLU N 32 -0.400000 14.0067 0 + 1207 A3 125 GLU H 1 0.250000 1.0080 0 + 1208 A3 125 GLU CA 11 0.100000 13.0190 0 + 1209 A3 125 GLU CB 12 0.000000 14.0270 0 + 1210 A3 125 GLU CG 12 0.000000 14.0270 0 + 1211 A3 125 GLU CD 14 0.140000 12.0110 0 + 1212 A3 125 GLU OE1 43 -0.570000 15.9994 0 + 1213 A3 125 GLU OE2 43 -0.570000 15.9994 0 + 1214 A3 125 GLU C 14 0.600000 12.0110 0 + 1215 A3 125 GLU O 40 -0.550000 15.9994 0 + 1216 A3 126 ILE N 32 -0.400000 14.0067 0 + 1217 A3 126 ILE H 1 0.250000 1.0080 0 + 1218 A3 126 ILE CA 11 0.100000 13.0190 0 + 1219 A3 126 ILE CB 11 0.000000 13.0190 0 + 1220 A3 126 ILE CG2 13 0.000000 15.0350 0 + 1221 A3 126 ILE CG1 12 0.000000 14.0270 0 + 1222 A3 126 ILE CD1 13 0.000000 15.0350 0 + 1223 A3 126 ILE C 14 0.600000 12.0110 0 + 1224 A3 126 ILE O 40 -0.550000 15.9994 0 + 1225 A3 127 ALA N 32 -0.400000 14.0067 0 + 1226 A3 127 ALA H 1 0.250000 1.0080 0 + 1227 A3 127 ALA CA 11 0.100000 13.0190 0 + 1228 A3 127 ALA CB 13 0.000000 15.0350 0 + 1229 A3 127 ALA C 14 0.600000 12.0110 0 + 1230 A3 127 ALA O 40 -0.550000 15.9994 0 + 1231 A3 128 ARG N 32 -0.400000 14.0067 0 + 1232 A3 128 ARG H 1 0.250000 1.0080 0 + 1233 A3 128 ARG CA 11 0.100000 13.0190 0 + 1234 A3 128 ARG CB 12 0.000000 14.0270 0 + 1235 A3 128 ARG CG 12 0.000000 14.0270 0 + 1236 A3 128 ARG CD 12 0.100000 14.0270 0 + 1237 A3 128 ARG NE 32 -0.400000 14.0067 0 + 1238 A3 128 ARG HE 1 0.300000 1.0080 0 + 1239 A3 128 ARG CZ 14 0.500000 12.0110 0 + 1240 A3 128 ARG NH1 37 -0.450000 14.0067 0 + 1241 A3 128 ARG HH11 2 0.350000 1.0080 0 + 1242 A3 128 ARG HH12 2 0.350000 1.0080 0 + 1243 A3 128 ARG NH2 37 -0.450000 14.0067 0 + 1244 A3 128 ARG HH21 2 0.350000 1.0080 0 + 1245 A3 128 ARG HH22 2 0.350000 1.0080 0 + 1246 A3 128 ARG C 14 0.600000 12.0110 0 + 1247 A3 128 ARG O 40 -0.550000 15.9994 0 + 1248 A3 129 PRO N 33 -0.250000 14.0067 0 + 1249 A3 129 PRO CD 12 0.100000 14.0270 0 + 1250 A3 129 PRO CA 11 0.100000 13.0190 0 + 1251 A3 129 PRO CB 12 0.000000 14.0270 0 + 1252 A3 129 PRO CG 12 0.000000 14.0270 0 + 1253 A3 129 PRO C 14 0.600000 12.0110 0 + 1254 A3 129 PRO O 40 -0.550000 15.9994 0 + 1255 A3 130 ASP N 32 -0.400000 14.0067 0 + 1256 A3 130 ASP H 1 0.250000 1.0080 0 + 1257 A3 130 ASP CA 11 0.100000 13.0190 0 + 1258 A3 130 ASP CB 12 0.000000 14.0270 0 + 1259 A3 130 ASP CG 14 0.140000 12.0110 0 + 1260 A3 130 ASP OD1 43 -0.570000 15.9994 0 + 1261 A3 130 ASP OD2 43 -0.570000 15.9994 0 + 1262 A3 130 ASP C 14 0.600000 12.0110 0 + 1263 A3 130 ASP O 40 -0.550000 15.9994 0 + 1264 A3 131 ASP N 32 -0.400000 14.0067 0 + 1265 A3 131 ASP H 1 0.250000 1.0080 0 + 1266 A3 131 ASP CA 11 0.100000 13.0190 0 + 1267 A3 131 ASP CB 12 0.000000 14.0270 0 + 1268 A3 131 ASP CG 14 0.140000 12.0110 0 + 1269 A3 131 ASP OD1 43 -0.570000 15.9994 0 + 1270 A3 131 ASP OD2 43 -0.570000 15.9994 0 + 1271 A3 131 ASP C 14 0.600000 12.0110 0 + 1272 A3 131 ASP O 40 -0.550000 15.9994 0 + 1273 A3 132 SER N 32 -0.400000 14.0067 0 + 1274 A3 132 SER H 1 0.250000 1.0080 0 + 1275 A3 132 SER CA 11 0.100000 13.0190 0 + 1276 A3 132 SER CB 12 0.250000 14.0270 0 + 1277 A3 132 SER OG 45 -0.650000 15.9994 0 + 1278 A3 132 SER HG 8 0.400000 1.0080 0 + 1279 A3 132 SER C 14 0.600000 12.0110 0 + 1280 A3 132 SER O 40 -0.550000 15.9994 0 + 1281 A3 133 LEU N 32 -0.400000 14.0067 0 + 1282 A3 133 LEU H 1 0.250000 1.0080 0 + 1283 A3 133 LEU CA 11 0.100000 13.0190 0 + 1284 A3 133 LEU CB 12 0.000000 14.0270 0 + 1285 A3 133 LEU CG 11 0.000000 13.0190 0 + 1286 A3 133 LEU CD1 13 0.000000 15.0350 0 + 1287 A3 133 LEU CD2 13 0.000000 15.0350 0 + 1288 A3 133 LEU C 14 0.600000 12.0110 0 + 1289 A3 133 LEU O 40 -0.550000 15.9994 0 + 1290 A3 134 GLU N 32 -0.400000 14.0067 0 + 1291 A3 134 GLU H 1 0.250000 1.0080 0 + 1292 A3 134 GLU CA 11 0.100000 13.0190 0 + 1293 A3 134 GLU CB 12 0.000000 14.0270 0 + 1294 A3 134 GLU CG 12 0.000000 14.0270 0 + 1295 A3 134 GLU CD 14 0.140000 12.0110 0 + 1296 A3 134 GLU OE1 43 -0.570000 15.9994 0 + 1297 A3 134 GLU OE2 43 -0.570000 15.9994 0 + 1298 A3 134 GLU C 14 0.600000 12.0110 0 + 1299 A3 134 GLU O 40 -0.550000 15.9994 0 + 1300 A3 135 PRO N 33 -0.250000 14.0067 0 + 1301 A3 135 PRO CD 12 0.100000 14.0270 0 + 1302 A3 135 PRO CA 11 0.100000 13.0190 0 + 1303 A3 135 PRO CB 12 0.000000 14.0270 0 + 1304 A3 135 PRO CG 12 0.000000 14.0270 0 + 1305 A3 135 PRO C 14 0.600000 12.0110 0 + 1306 A3 135 PRO O 40 -0.550000 15.9994 0 + 1307 A3 136 PHE N 32 -0.400000 14.0067 0 + 1308 A3 136 PHE H 1 0.250000 1.0080 0 + 1309 A3 136 PHE CA 11 0.100000 13.0190 0 + 1310 A3 136 PHE CB 12 0.000000 14.0270 0 + 1311 A3 136 PHE CG 22 0.000000 12.0110 0 + 1312 A3 136 PHE CD1 24 0.000000 13.0190 0 + 1313 A3 136 PHE CD2 24 0.000000 13.0190 0 + 1314 A3 136 PHE CE1 24 0.000000 13.0190 0 + 1315 A3 136 PHE CE2 24 0.000000 13.0190 0 + 1316 A3 136 PHE CZ 24 0.000000 13.0190 0 + 1317 A3 136 PHE C 14 0.600000 12.0110 0 + 1318 A3 136 PHE O 40 -0.550000 15.9994 0 + 1319 A3 137 PHE N 32 -0.400000 14.0067 0 + 1320 A3 137 PHE H 1 0.250000 1.0080 0 + 1321 A3 137 PHE CA 11 0.100000 13.0190 0 + 1322 A3 137 PHE CB 12 0.000000 14.0270 0 + 1323 A3 137 PHE CG 22 0.000000 12.0110 0 + 1324 A3 137 PHE CD1 24 0.000000 13.0190 0 + 1325 A3 137 PHE CD2 24 0.000000 13.0190 0 + 1326 A3 137 PHE CE1 24 0.000000 13.0190 0 + 1327 A3 137 PHE CE2 24 0.000000 13.0190 0 + 1328 A3 137 PHE CZ 24 0.000000 13.0190 0 + 1329 A3 137 PHE C 14 0.600000 12.0110 0 + 1330 A3 137 PHE O 40 -0.550000 15.9994 0 + 1331 A3 138 ASP N 32 -0.400000 14.0067 0 + 1332 A3 138 ASP H 1 0.250000 1.0080 0 + 1333 A3 138 ASP CA 11 0.100000 13.0190 0 + 1334 A3 138 ASP CB 12 0.000000 14.0270 0 + 1335 A3 138 ASP CG 14 0.140000 12.0110 0 + 1336 A3 138 ASP OD1 43 -0.570000 15.9994 0 + 1337 A3 138 ASP OD2 43 -0.570000 15.9994 0 + 1338 A3 138 ASP C 14 0.600000 12.0110 0 + 1339 A3 138 ASP O 40 -0.550000 15.9994 0 + 1340 A3 139 SER N 32 -0.400000 14.0067 0 + 1341 A3 139 SER H 1 0.250000 1.0080 0 + 1342 A3 139 SER CA 11 0.100000 13.0190 0 + 1343 A3 139 SER CB 12 0.250000 14.0270 0 + 1344 A3 139 SER OG 45 -0.650000 15.9994 0 + 1345 A3 139 SER HG 8 0.400000 1.0080 0 + 1346 A3 139 SER C 14 0.600000 12.0110 0 + 1347 A3 139 SER O 40 -0.550000 15.9994 0 + 1348 A3 140 LEU N 32 -0.400000 14.0067 0 + 1349 A3 140 LEU H 1 0.250000 1.0080 0 + 1350 A3 140 LEU CA 11 0.100000 13.0190 0 + 1351 A3 140 LEU CB 12 0.000000 14.0270 0 + 1352 A3 140 LEU CG 11 0.000000 13.0190 0 + 1353 A3 140 LEU CD1 13 0.000000 15.0350 0 + 1354 A3 140 LEU CD2 13 0.000000 15.0350 0 + 1355 A3 140 LEU C 14 0.600000 12.0110 0 + 1356 A3 140 LEU O 40 -0.550000 15.9994 0 + 1357 A3 141 VAL N 32 -0.400000 14.0067 0 + 1358 A3 141 VAL H 1 0.250000 1.0080 0 + 1359 A3 141 VAL CA 11 0.100000 13.0190 0 + 1360 A3 141 VAL CB 11 0.000000 13.0190 0 + 1361 A3 141 VAL CG1 13 0.000000 15.0350 0 + 1362 A3 141 VAL CG2 13 0.000000 15.0350 0 + 1363 A3 141 VAL C 14 0.600000 12.0110 0 + 1364 A3 141 VAL O 40 -0.550000 15.9994 0 + 1365 A3 142 LYS N 32 -0.400000 14.0067 0 + 1366 A3 142 LYS H 1 0.250000 1.0080 0 + 1367 A3 142 LYS CA 11 0.100000 13.0190 0 + 1368 A3 142 LYS CB 12 0.000000 14.0270 0 + 1369 A3 142 LYS CG 12 0.000000 14.0270 0 + 1370 A3 142 LYS CD 12 0.000000 14.0270 0 + 1371 A3 142 LYS CE 12 0.250000 14.0270 0 + 1372 A3 142 LYS NZ 36 -0.300000 14.0067 0 + 1373 A3 142 LYS HZ1 2 0.350000 1.0080 0 + 1374 A3 142 LYS HZ2 2 0.350000 1.0080 0 + 1375 A3 142 LYS HZ3 2 0.350000 1.0080 0 + 1376 A3 142 LYS C 14 0.600000 12.0110 0 + 1377 A3 142 LYS O 40 -0.550000 15.9994 0 + 1378 A3 143 GLN N 32 -0.400000 14.0067 0 + 1379 A3 143 GLN H 1 0.250000 1.0080 0 + 1380 A3 143 GLN CA 11 0.100000 13.0190 0 + 1381 A3 143 GLN CB 12 0.000000 14.0270 0 + 1382 A3 143 GLN CG 12 0.000000 14.0270 0 + 1383 A3 143 GLN CD 14 0.550000 12.0110 0 + 1384 A3 143 GLN OE1 40 -0.550000 15.9994 0 + 1385 A3 143 GLN NE2 32 -0.600000 14.0067 0 + 1386 A3 143 GLN HE21 1 0.300000 1.0080 0 + 1387 A3 143 GLN HE22 1 0.300000 1.0080 0 + 1388 A3 143 GLN C 14 0.600000 12.0110 0 + 1389 A3 143 GLN O 40 -0.550000 15.9994 0 + 1390 A3 144 THR N 32 -0.400000 14.0067 0 + 1391 A3 144 THR H 1 0.250000 1.0080 0 + 1392 A3 144 THR CA 11 0.100000 13.0190 0 + 1393 A3 144 THR CB 11 0.250000 13.0190 0 + 1394 A3 144 THR OG1 45 -0.650000 15.9994 0 + 1395 A3 144 THR HG1 8 0.400000 1.0080 0 + 1396 A3 144 THR CG2 13 0.000000 15.0350 0 + 1397 A3 144 THR C 14 0.600000 12.0110 0 + 1398 A3 144 THR O 40 -0.550000 15.9994 0 + 1399 A3 145 HIS N 32 -0.400000 14.0067 0 + 1400 A3 145 HIS H 1 0.250000 1.0080 0 + 1401 A3 145 HIS CA 11 0.100000 13.0190 0 + 1402 A3 145 HIS CB 12 0.000000 14.0270 0 + 1403 A3 145 HIS CG 21 0.100000 12.0110 0 + 1404 A3 145 HIS ND1 34 -0.400000 14.0067 0 + 1405 A3 145 HIS HD1 1 0.300000 1.0080 0 + 1406 A3 145 HIS CD2 23 0.100000 13.0190 0 + 1407 A3 145 HIS NE2 34 -0.400000 14.0067 0 + 1408 A3 145 HIS CE1 23 0.300000 13.0190 0 + 1409 A3 145 HIS C 14 0.600000 12.0110 0 + 1410 A3 145 HIS O 40 -0.550000 15.9994 0 + 1411 A3 146 VAL N 32 -0.400000 14.0067 0 + 1412 A3 146 VAL H 1 0.250000 1.0080 0 + 1413 A3 146 VAL CA 11 0.100000 13.0190 0 + 1414 A3 146 VAL CB 11 0.000000 13.0190 0 + 1415 A3 146 VAL CG1 13 0.000000 15.0350 0 + 1416 A3 146 VAL CG2 13 0.000000 15.0350 0 + 1417 A3 146 VAL C 14 0.600000 12.0110 0 + 1418 A3 146 VAL O 40 -0.550000 15.9994 0 + 1419 A3 147 PRO N 33 -0.250000 14.0067 0 + 1420 A3 147 PRO CD 12 0.100000 14.0270 0 + 1421 A3 147 PRO CA 11 0.100000 13.0190 0 + 1422 A3 147 PRO CB 12 0.000000 14.0270 0 + 1423 A3 147 PRO CG 12 0.000000 14.0270 0 + 1424 A3 147 PRO C 14 0.600000 12.0110 0 + 1425 A3 147 PRO O 40 -0.550000 15.9994 0 + 1426 A3 148 ASN N 32 -0.400000 14.0067 0 + 1427 A3 148 ASN H 1 0.250000 1.0080 0 + 1428 A3 148 ASN CA 11 0.100000 13.0190 0 + 1429 A3 148 ASN CB 12 0.000000 14.0270 0 + 1430 A3 148 ASN CG 14 0.550000 12.0110 0 + 1431 A3 148 ASN OD1 40 -0.550000 15.9994 0 + 1432 A3 148 ASN ND2 32 -0.600000 14.0067 0 + 1433 A3 148 ASN HD21 1 0.300000 1.0080 0 + 1434 A3 148 ASN HD22 1 0.300000 1.0080 0 + 1435 A3 148 ASN C 14 0.600000 12.0110 0 + 1436 A3 148 ASN O 40 -0.550000 15.9994 0 + 1437 A3 149 LEU N 32 -0.400000 14.0067 0 + 1438 A3 149 LEU H 1 0.250000 1.0080 0 + 1439 A3 149 LEU CA 11 0.100000 13.0190 0 + 1440 A3 149 LEU CB 12 0.000000 14.0270 0 + 1441 A3 149 LEU CG 11 0.000000 13.0190 0 + 1442 A3 149 LEU CD1 13 0.000000 15.0350 0 + 1443 A3 149 LEU CD2 13 0.000000 15.0350 0 + 1444 A3 149 LEU C 14 0.600000 12.0110 0 + 1445 A3 149 LEU O 40 -0.550000 15.9994 0 + 1446 A3 150 PHE N 32 -0.400000 14.0067 0 + 1447 A3 150 PHE H 1 0.250000 1.0080 0 + 1448 A3 150 PHE CA 11 0.100000 13.0190 0 + 1449 A3 150 PHE CB 12 0.000000 14.0270 0 + 1450 A3 150 PHE CG 22 0.000000 12.0110 0 + 1451 A3 150 PHE CD1 24 0.000000 13.0190 0 + 1452 A3 150 PHE CD2 24 0.000000 13.0190 0 + 1453 A3 150 PHE CE1 24 0.000000 13.0190 0 + 1454 A3 150 PHE CE2 24 0.000000 13.0190 0 + 1455 A3 150 PHE CZ 24 0.000000 13.0190 0 + 1456 A3 150 PHE C 14 0.600000 12.0110 0 + 1457 A3 150 PHE O 40 -0.550000 15.9994 0 + 1458 A3 151 SER N 32 -0.400000 14.0067 0 + 1459 A3 151 SER H 1 0.250000 1.0080 0 + 1460 A3 151 SER CA 11 0.100000 13.0190 0 + 1461 A3 151 SER CB 12 0.250000 14.0270 0 + 1462 A3 151 SER OG 45 -0.650000 15.9994 0 + 1463 A3 151 SER HG 8 0.400000 1.0080 0 + 1464 A3 151 SER C 14 0.600000 12.0110 0 + 1465 A3 151 SER O 40 -0.550000 15.9994 0 + 1466 A3 152 LEU N 32 -0.400000 14.0067 0 + 1467 A3 152 LEU H 1 0.250000 1.0080 0 + 1468 A3 152 LEU CA 11 0.100000 13.0190 0 + 1469 A3 152 LEU CB 12 0.000000 14.0270 0 + 1470 A3 152 LEU CG 11 0.000000 13.0190 0 + 1471 A3 152 LEU CD1 13 0.000000 15.0350 0 + 1472 A3 152 LEU CD2 13 0.000000 15.0350 0 + 1473 A3 152 LEU C 14 0.600000 12.0110 0 + 1474 A3 152 LEU O 40 -0.550000 15.9994 0 + 1475 A3 153 GLN N 32 -0.400000 14.0067 0 + 1476 A3 153 GLN H 1 0.250000 1.0080 0 + 1477 A3 153 GLN CA 11 0.100000 13.0190 0 + 1478 A3 153 GLN CB 12 0.000000 14.0270 0 + 1479 A3 153 GLN CG 12 0.000000 14.0270 0 + 1480 A3 153 GLN CD 14 0.550000 12.0110 0 + 1481 A3 153 GLN OE1 40 -0.550000 15.9994 0 + 1482 A3 153 GLN NE2 32 -0.600000 14.0067 0 + 1483 A3 153 GLN HE21 1 0.300000 1.0080 0 + 1484 A3 153 GLN HE22 1 0.300000 1.0080 0 + 1485 A3 153 GLN C 14 0.600000 12.0110 0 + 1486 A3 153 GLN O 40 -0.550000 15.9994 0 + 1487 A3 154 LEU N 32 -0.400000 14.0067 0 + 1488 A3 154 LEU H 1 0.250000 1.0080 0 + 1489 A3 154 LEU CA 11 0.100000 13.0190 0 + 1490 A3 154 LEU CB 12 0.000000 14.0270 0 + 1491 A3 154 LEU CG 11 0.000000 13.0190 0 + 1492 A3 154 LEU CD1 13 0.000000 15.0350 0 + 1493 A3 154 LEU CD2 13 0.000000 15.0350 0 + 1494 A3 154 LEU C 14 0.600000 12.0110 0 + 1495 A3 154 LEU O 40 -0.550000 15.9994 0 + 1496 A3 155 CYS N 32 -0.400000 14.0067 0 + 1497 A3 155 CYS H 1 0.250000 1.0080 0 + 1498 A3 155 CYS CA 11 0.100000 13.0190 0 + 1499 A3 155 CYS CB 12 0.190000 14.0270 0 + 1500 A3 155 CYS SG 70 -0.190000 32.0600 0 + 1501 A3 155 CYS C 14 0.600000 12.0110 0 + 1502 A3 155 CYS O 40 -0.550000 15.9994 0 + 1503 A3 156 GLY N 32 -0.400000 14.0067 0 + 1504 A3 156 GLY H 1 0.250000 1.0080 0 + 1505 A3 156 GLY CA 12 0.100000 14.0270 0 + 1506 A3 156 GLY C 14 0.600000 12.0110 0 + 1507 A3 156 GLY O 40 -0.550000 15.9994 0 + 1508 A3 157 ALA N 32 -0.400000 14.0067 0 + 1509 A3 157 ALA H 1 0.250000 1.0080 0 + 1510 A3 157 ALA CA 11 0.100000 13.0190 0 + 1511 A3 157 ALA CB 13 0.000000 15.0350 0 + 1512 A3 157 ALA C 14 0.600000 12.0110 0 + 1513 A3 157 ALA O 40 -0.550000 15.9994 0 + 1514 A4 169 SER N 32 -0.400000 14.0067 0 + 1515 A4 169 SER H 1 0.250000 1.0080 0 + 1516 A4 169 SER CA 11 0.100000 13.0190 0 + 1517 A4 169 SER CB 12 0.250000 14.0270 0 + 1518 A4 169 SER OG 45 -0.650000 15.9994 0 + 1519 A4 169 SER HG 8 0.400000 1.0080 0 + 1520 A4 169 SER C 14 0.600000 12.0110 0 + 1521 A4 169 SER O 40 -0.550000 15.9994 0 + 1522 A4 170 VAL N 32 -0.400000 14.0067 0 + 1523 A4 170 VAL H 1 0.250000 1.0080 0 + 1524 A4 170 VAL CA 11 0.100000 13.0190 0 + 1525 A4 170 VAL CB 11 0.000000 13.0190 0 + 1526 A4 170 VAL CG1 13 0.000000 15.0350 0 + 1527 A4 170 VAL CG2 13 0.000000 15.0350 0 + 1528 A4 170 VAL C 14 0.600000 12.0110 0 + 1529 A4 170 VAL O 40 -0.550000 15.9994 0 + 1530 A4 171 GLY N 32 -0.400000 14.0067 0 + 1531 A4 171 GLY H 1 0.250000 1.0080 0 + 1532 A4 171 GLY CA 12 0.100000 14.0270 0 + 1533 A4 171 GLY C 14 0.600000 12.0110 0 + 1534 A4 171 GLY O 40 -0.550000 15.9994 0 + 1535 A4 172 GLY N 32 -0.400000 14.0067 0 + 1536 A4 172 GLY H 1 0.250000 1.0080 0 + 1537 A4 172 GLY CA 12 0.100000 14.0270 0 + 1538 A4 172 GLY C 14 0.600000 12.0110 0 + 1539 A4 172 GLY O 40 -0.550000 15.9994 0 + 1540 A4 173 SER N 32 -0.400000 14.0067 0 + 1541 A4 173 SER H 1 0.250000 1.0080 0 + 1542 A4 173 SER CA 11 0.100000 13.0190 0 + 1543 A4 173 SER CB 12 0.250000 14.0270 0 + 1544 A4 173 SER OG 45 -0.650000 15.9994 0 + 1545 A4 173 SER HG 8 0.400000 1.0080 0 + 1546 A4 173 SER C 14 0.600000 12.0110 0 + 1547 A4 173 SER O 40 -0.550000 15.9994 0 + 1548 A4 174 MET N 32 -0.400000 14.0067 0 + 1549 A4 174 MET H 1 0.250000 1.0080 0 + 1550 A4 174 MET CA 11 0.100000 13.0190 0 + 1551 A4 174 MET CB 12 0.000000 14.0270 0 + 1552 A4 174 MET CG 12 0.060000 14.0270 0 + 1553 A4 174 MET SD 74 -0.120000 32.0600 0 + 1554 A4 174 MET CE 13 0.060000 15.0350 0 + 1555 A4 174 MET C 14 0.600000 12.0110 0 + 1556 A4 174 MET O 40 -0.550000 15.9994 0 + 1557 A4 175 ILE N 32 -0.400000 14.0067 0 + 1558 A4 175 ILE H 1 0.250000 1.0080 0 + 1559 A4 175 ILE CA 11 0.100000 13.0190 0 + 1560 A4 175 ILE CB 11 0.000000 13.0190 0 + 1561 A4 175 ILE CG2 13 0.000000 15.0350 0 + 1562 A4 175 ILE CG1 12 0.000000 14.0270 0 + 1563 A4 175 ILE CD1 13 0.000000 15.0350 0 + 1564 A4 175 ILE C 14 0.600000 12.0110 0 + 1565 A4 175 ILE O 40 -0.550000 15.9994 0 + 1566 A4 176 ILE N 32 -0.400000 14.0067 0 + 1567 A4 176 ILE H 1 0.250000 1.0080 0 + 1568 A4 176 ILE CA 11 0.100000 13.0190 0 + 1569 A4 176 ILE CB 11 0.000000 13.0190 0 + 1570 A4 176 ILE CG2 13 0.000000 15.0350 0 + 1571 A4 176 ILE CG1 12 0.000000 14.0270 0 + 1572 A4 176 ILE CD1 13 0.000000 15.0350 0 + 1573 A4 176 ILE C 14 0.600000 12.0110 0 + 1574 A4 176 ILE O 40 -0.550000 15.9994 0 + 1575 A4 177 GLY N 32 -0.400000 14.0067 0 + 1576 A4 177 GLY H 1 0.250000 1.0080 0 + 1577 A4 177 GLY CA 12 0.100000 14.0270 0 + 1578 A4 177 GLY C 14 0.600000 12.0110 0 + 1579 A4 177 GLY O 40 -0.550000 15.9994 0 + 1580 A4 178 GLY N 32 -0.400000 14.0067 0 + 1581 A4 178 GLY H 1 0.250000 1.0080 0 + 1582 A4 178 GLY CA 12 0.100000 14.0270 0 + 1583 A4 178 GLY C 14 0.600000 12.0110 0 + 1584 A4 178 GLY O 40 -0.550000 15.9994 0 + 1585 A4 179 ILE N 32 -0.400000 14.0067 0 + 1586 A4 179 ILE H 1 0.250000 1.0080 0 + 1587 A4 179 ILE CA 11 0.100000 13.0190 0 + 1588 A4 179 ILE CB 11 0.000000 13.0190 0 + 1589 A4 179 ILE CG2 13 0.000000 15.0350 0 + 1590 A4 179 ILE CG1 12 0.000000 14.0270 0 + 1591 A4 179 ILE CD1 13 0.000000 15.0350 0 + 1592 A4 179 ILE C 14 0.600000 12.0110 0 + 1593 A4 179 ILE O 40 -0.550000 15.9994 0 + 1594 A4 180 ASP N 32 -0.400000 14.0067 0 + 1595 A4 180 ASP H 1 0.250000 1.0080 0 + 1596 A4 180 ASP CA 11 0.100000 13.0190 0 + 1597 A4 180 ASP CB 12 0.000000 14.0270 0 + 1598 A4 180 ASP CG 14 0.140000 12.0110 0 + 1599 A4 180 ASP OD1 43 -0.570000 15.9994 0 + 1600 A4 180 ASP OD2 43 -0.570000 15.9994 0 + 1601 A4 180 ASP C 14 0.600000 12.0110 0 + 1602 A4 180 ASP O 40 -0.550000 15.9994 0 + 1603 A4 181 HIS N 32 -0.400000 14.0067 0 + 1604 A4 181 HIS H 1 0.250000 1.0080 0 + 1605 A4 181 HIS CA 11 0.100000 13.0190 0 + 1606 A4 181 HIS CB 12 0.000000 14.0270 0 + 1607 A4 181 HIS CG 21 0.100000 12.0110 0 + 1608 A4 181 HIS ND1 34 -0.400000 14.0067 0 + 1609 A4 181 HIS HD1 1 0.300000 1.0080 0 + 1610 A4 181 HIS CD2 23 0.100000 13.0190 0 + 1611 A4 181 HIS NE2 34 -0.400000 14.0067 0 + 1612 A4 181 HIS CE1 23 0.300000 13.0190 0 + 1613 A4 181 HIS C 14 0.600000 12.0110 0 + 1614 A4 181 HIS O 40 -0.550000 15.9994 0 + 1615 A4 182 SER N 32 -0.400000 14.0067 0 + 1616 A4 182 SER H 1 0.250000 1.0080 0 + 1617 A4 182 SER CA 11 0.100000 13.0190 0 + 1618 A4 182 SER CB 12 0.250000 14.0270 0 + 1619 A4 182 SER OG 45 -0.650000 15.9994 0 + 1620 A4 182 SER HG 8 0.400000 1.0080 0 + 1621 A4 182 SER C 14 0.600000 12.0110 0 + 1622 A4 182 SER O 40 -0.550000 15.9994 0 + 1623 A4 183 LEU N 32 -0.400000 14.0067 0 + 1624 A4 183 LEU H 1 0.250000 1.0080 0 + 1625 A4 183 LEU CA 11 0.100000 13.0190 0 + 1626 A4 183 LEU CB 12 0.000000 14.0270 0 + 1627 A4 183 LEU CG 11 0.000000 13.0190 0 + 1628 A4 183 LEU CD1 13 0.000000 15.0350 0 + 1629 A4 183 LEU CD2 13 0.000000 15.0350 0 + 1630 A4 183 LEU C 14 0.600000 12.0110 0 + 1631 A4 183 LEU O 40 -0.550000 15.9994 0 + 1632 A4 184 TYR N 32 -0.400000 14.0067 0 + 1633 A4 184 TYR H 1 0.250000 1.0080 0 + 1634 A4 184 TYR CA 11 0.100000 13.0190 0 + 1635 A4 184 TYR CB 12 0.000000 14.0270 0 + 1636 A4 184 TYR CG 22 0.000000 12.0110 0 + 1637 A4 184 TYR CD1 24 0.000000 13.0190 0 + 1638 A4 184 TYR CE1 24 0.000000 13.0190 0 + 1639 A4 184 TYR CD2 24 0.000000 13.0190 0 + 1640 A4 184 TYR CE2 24 0.000000 13.0190 0 + 1641 A4 184 TYR CZ 22 0.250000 12.0110 0 + 1642 A4 184 TYR OH 45 -0.650000 15.9994 0 + 1643 A4 184 TYR HH 8 0.400000 1.0080 0 + 1644 A4 184 TYR C 14 0.600000 12.0110 0 + 1645 A4 184 TYR O 40 -0.550000 15.9994 0 + 1646 A4 185 THR N 32 -0.400000 14.0067 0 + 1647 A4 185 THR H 1 0.250000 1.0080 0 + 1648 A4 185 THR CA 11 0.100000 13.0190 0 + 1649 A4 185 THR CB 11 0.250000 13.0190 0 + 1650 A4 185 THR OG1 45 -0.650000 15.9994 0 + 1651 A4 185 THR HG1 8 0.400000 1.0080 0 + 1652 A4 185 THR CG2 13 0.000000 15.0350 0 + 1653 A4 185 THR C 14 0.600000 12.0110 0 + 1654 A4 185 THR O 40 -0.550000 15.9994 0 + 1655 A4 186 GLY N 32 -0.400000 14.0067 0 + 1656 A4 186 GLY H 1 0.250000 1.0080 0 + 1657 A4 186 GLY CA 12 0.100000 14.0270 0 + 1658 A4 186 GLY C 14 0.600000 12.0110 0 + 1659 A4 186 GLY O 40 -0.550000 15.9994 0 + 1660 A4 187 SER N 32 -0.400000 14.0067 0 + 1661 A4 187 SER H 1 0.250000 1.0080 0 + 1662 A4 187 SER CA 11 0.100000 13.0190 0 + 1663 A4 187 SER CB 12 0.250000 14.0270 0 + 1664 A4 187 SER OG 45 -0.650000 15.9994 0 + 1665 A4 187 SER HG 8 0.400000 1.0080 0 + 1666 A4 187 SER C 14 0.600000 12.0110 0 + 1667 A4 187 SER O 40 -0.550000 15.9994 0 + 1668 A4 188 LEU N 32 -0.400000 14.0067 0 + 1669 A4 188 LEU H 1 0.250000 1.0080 0 + 1670 A4 188 LEU CA 11 0.100000 13.0190 0 + 1671 A4 188 LEU CB 12 0.000000 14.0270 0 + 1672 A4 188 LEU CG 11 0.000000 13.0190 0 + 1673 A4 188 LEU CD1 13 0.000000 15.0350 0 + 1674 A4 188 LEU CD2 13 0.000000 15.0350 0 + 1675 A4 188 LEU C 14 0.600000 12.0110 0 + 1676 A4 188 LEU O 40 -0.550000 15.9994 0 + 1677 A4 189 TRP N 32 -0.400000 14.0067 0 + 1678 A4 189 TRP H 1 0.250000 1.0080 0 + 1679 A4 189 TRP CA 11 0.100000 13.0190 0 + 1680 A4 189 TRP CB 12 0.000000 14.0270 0 + 1681 A4 189 TRP CG 21 -0.030000 12.0110 0 + 1682 A4 189 TRP CD2 26 0.100000 12.0110 0 + 1683 A4 189 TRP CE2 26 -0.040000 12.0110 0 + 1684 A4 189 TRP CE3 24 -0.030000 13.0190 0 + 1685 A4 189 TRP CD1 23 0.060000 13.0190 0 + 1686 A4 189 TRP NE1 34 -0.360000 14.0067 0 + 1687 A4 189 TRP HE1 1 0.300000 1.0080 0 + 1688 A4 189 TRP CZ2 24 0.000000 13.0190 0 + 1689 A4 189 TRP CZ3 24 0.000000 13.0190 0 + 1690 A4 189 TRP CH2 24 0.000000 13.0190 0 + 1691 A4 189 TRP C 14 0.600000 12.0110 0 + 1692 A4 189 TRP O 40 -0.550000 15.9994 0 + 1693 A4 190 TYR N 32 -0.400000 14.0067 0 + 1694 A4 190 TYR H 1 0.250000 1.0080 0 + 1695 A4 190 TYR CA 11 0.100000 13.0190 0 + 1696 A4 190 TYR CB 12 0.000000 14.0270 0 + 1697 A4 190 TYR CG 22 0.000000 12.0110 0 + 1698 A4 190 TYR CD1 24 0.000000 13.0190 0 + 1699 A4 190 TYR CE1 24 0.000000 13.0190 0 + 1700 A4 190 TYR CD2 24 0.000000 13.0190 0 + 1701 A4 190 TYR CE2 24 0.000000 13.0190 0 + 1702 A4 190 TYR CZ 22 0.250000 12.0110 0 + 1703 A4 190 TYR OH 45 -0.650000 15.9994 0 + 1704 A4 190 TYR HH 8 0.400000 1.0080 0 + 1705 A4 190 TYR C 14 0.600000 12.0110 0 + 1706 A4 190 TYR O 40 -0.550000 15.9994 0 + 1707 A4 191 THR N 32 -0.400000 14.0067 0 + 1708 A4 191 THR H 1 0.250000 1.0080 0 + 1709 A4 191 THR CA 11 0.100000 13.0190 0 + 1710 A4 191 THR CB 11 0.250000 13.0190 0 + 1711 A4 191 THR OG1 45 -0.650000 15.9994 0 + 1712 A4 191 THR HG1 8 0.400000 1.0080 0 + 1713 A4 191 THR CG2 13 0.000000 15.0350 0 + 1714 A4 191 THR C 14 0.600000 12.0110 0 + 1715 A4 191 THR O 40 -0.550000 15.9994 0 + 1716 A4 192 PRO N 33 -0.250000 14.0067 0 + 1717 A4 192 PRO CD 12 0.100000 14.0270 0 + 1718 A4 192 PRO CA 11 0.100000 13.0190 0 + 1719 A4 192 PRO CB 12 0.000000 14.0270 0 + 1720 A4 192 PRO CG 12 0.000000 14.0270 0 + 1721 A4 192 PRO C 14 0.600000 12.0110 0 + 1722 A4 192 PRO O 40 -0.550000 15.9994 0 + 1723 A4 193 ILE N 32 -0.400000 14.0067 0 + 1724 A4 193 ILE H 1 0.250000 1.0080 0 + 1725 A4 193 ILE CA 11 0.100000 13.0190 0 + 1726 A4 193 ILE CB 11 0.000000 13.0190 0 + 1727 A4 193 ILE CG2 13 0.000000 15.0350 0 + 1728 A4 193 ILE CG1 12 0.000000 14.0270 0 + 1729 A4 193 ILE CD1 13 0.000000 15.0350 0 + 1730 A4 193 ILE C 14 0.600000 12.0110 0 + 1731 A4 193 ILE O 40 -0.550000 15.9994 0 + 1732 A4 194 ARG N 32 -0.400000 14.0067 0 + 1733 A4 194 ARG H 1 0.250000 1.0080 0 + 1734 A4 194 ARG CA 11 0.100000 13.0190 0 + 1735 A4 194 ARG CB 12 0.000000 14.0270 0 + 1736 A4 194 ARG CG 12 0.000000 14.0270 0 + 1737 A4 194 ARG CD 12 0.100000 14.0270 0 + 1738 A4 194 ARG NE 32 -0.400000 14.0067 0 + 1739 A4 194 ARG HE 1 0.300000 1.0080 0 + 1740 A4 194 ARG CZ 14 0.500000 12.0110 0 + 1741 A4 194 ARG NH1 37 -0.450000 14.0067 0 + 1742 A4 194 ARG HH11 2 0.350000 1.0080 0 + 1743 A4 194 ARG HH12 2 0.350000 1.0080 0 + 1744 A4 194 ARG NH2 37 -0.450000 14.0067 0 + 1745 A4 194 ARG HH21 2 0.350000 1.0080 0 + 1746 A4 194 ARG HH22 2 0.350000 1.0080 0 + 1747 A4 194 ARG C 14 0.600000 12.0110 0 + 1748 A4 194 ARG O 40 -0.550000 15.9994 0 + 1749 A4 195 ARG N 32 -0.400000 14.0067 0 + 1750 A4 195 ARG H 1 0.250000 1.0080 0 + 1751 A4 195 ARG CA 11 0.100000 13.0190 0 + 1752 A4 195 ARG CB 12 0.000000 14.0270 0 + 1753 A4 195 ARG CG 12 0.000000 14.0270 0 + 1754 A4 195 ARG CD 12 0.100000 14.0270 0 + 1755 A4 195 ARG NE 32 -0.400000 14.0067 0 + 1756 A4 195 ARG HE 1 0.300000 1.0080 0 + 1757 A4 195 ARG CZ 14 0.500000 12.0110 0 + 1758 A4 195 ARG NH1 37 -0.450000 14.0067 0 + 1759 A4 195 ARG HH11 2 0.350000 1.0080 0 + 1760 A4 195 ARG HH12 2 0.350000 1.0080 0 + 1761 A4 195 ARG NH2 37 -0.450000 14.0067 0 + 1762 A4 195 ARG HH21 2 0.350000 1.0080 0 + 1763 A4 195 ARG HH22 2 0.350000 1.0080 0 + 1764 A4 195 ARG C 14 0.600000 12.0110 0 + 1765 A4 195 ARG O 40 -0.550000 15.9994 0 + 1766 A4 196 GLU N 32 -0.400000 14.0067 0 + 1767 A4 196 GLU H 1 0.250000 1.0080 0 + 1768 A4 196 GLU CA 11 0.100000 13.0190 0 + 1769 A4 196 GLU CB 12 0.000000 14.0270 0 + 1770 A4 196 GLU CG 12 0.000000 14.0270 0 + 1771 A4 196 GLU CD 14 0.140000 12.0110 0 + 1772 A4 196 GLU OE1 43 -0.570000 15.9994 0 + 1773 A4 196 GLU OE2 43 -0.570000 15.9994 0 + 1774 A4 196 GLU C 14 0.600000 12.0110 0 + 1775 A4 196 GLU O 40 -0.550000 15.9994 0 + 1776 A4 197 TRP N 32 -0.400000 14.0067 0 + 1777 A4 197 TRP H 1 0.250000 1.0080 0 + 1778 A4 197 TRP CA 11 0.100000 13.0190 0 + 1779 A4 197 TRP CB 12 0.000000 14.0270 0 + 1780 A4 197 TRP CG 21 -0.030000 12.0110 0 + 1781 A4 197 TRP CD2 26 0.100000 12.0110 0 + 1782 A4 197 TRP CE2 26 -0.040000 12.0110 0 + 1783 A4 197 TRP CE3 24 -0.030000 13.0190 0 + 1784 A4 197 TRP CD1 23 0.060000 13.0190 0 + 1785 A4 197 TRP NE1 34 -0.360000 14.0067 0 + 1786 A4 197 TRP HE1 1 0.300000 1.0080 0 + 1787 A4 197 TRP CZ2 24 0.000000 13.0190 0 + 1788 A4 197 TRP CZ3 24 0.000000 13.0190 0 + 1789 A4 197 TRP CH2 24 0.000000 13.0190 0 + 1790 A4 197 TRP C 14 0.600000 12.0110 0 + 1791 A4 197 TRP O 40 -0.550000 15.9994 0 + 1792 A4 198 TYR N 32 -0.400000 14.0067 0 + 1793 A4 198 TYR H 1 0.250000 1.0080 0 + 1794 A4 198 TYR CA 11 0.100000 13.0190 0 + 1795 A4 198 TYR CB 12 0.000000 14.0270 0 + 1796 A4 198 TYR CG 22 0.000000 12.0110 0 + 1797 A4 198 TYR CD1 24 0.000000 13.0190 0 + 1798 A4 198 TYR CE1 24 0.000000 13.0190 0 + 1799 A4 198 TYR CD2 24 0.000000 13.0190 0 + 1800 A4 198 TYR CE2 24 0.000000 13.0190 0 + 1801 A4 198 TYR CZ 22 0.250000 12.0110 0 + 1802 A4 198 TYR OH 45 -0.650000 15.9994 0 + 1803 A4 198 TYR HH 8 0.400000 1.0080 0 + 1804 A4 198 TYR C 14 0.600000 12.0110 0 + 1805 A4 198 TYR O 40 -0.550000 15.9994 0 + 1806 A4 199 TYR N 32 -0.400000 14.0067 0 + 1807 A4 199 TYR H 1 0.250000 1.0080 0 + 1808 A4 199 TYR CA 11 0.100000 13.0190 0 + 1809 A4 199 TYR CB 12 0.000000 14.0270 0 + 1810 A4 199 TYR CG 22 0.000000 12.0110 0 + 1811 A4 199 TYR CD1 24 0.000000 13.0190 0 + 1812 A4 199 TYR CE1 24 0.000000 13.0190 0 + 1813 A4 199 TYR CD2 24 0.000000 13.0190 0 + 1814 A4 199 TYR CE2 24 0.000000 13.0190 0 + 1815 A4 199 TYR CZ 22 0.250000 12.0110 0 + 1816 A4 199 TYR OH 45 -0.650000 15.9994 0 + 1817 A4 199 TYR HH 8 0.400000 1.0080 0 + 1818 A4 199 TYR C 14 0.600000 12.0110 0 + 1819 A4 199 TYR O 40 -0.550000 15.9994 0 + 1820 A4 200 GLU N 32 -0.400000 14.0067 0 + 1821 A4 200 GLU H 1 0.250000 1.0080 0 + 1822 A4 200 GLU CA 11 0.100000 13.0190 0 + 1823 A4 200 GLU CB 12 0.000000 14.0270 0 + 1824 A4 200 GLU CG 12 0.000000 14.0270 0 + 1825 A4 200 GLU CD 14 0.140000 12.0110 0 + 1826 A4 200 GLU OE1 43 -0.570000 15.9994 0 + 1827 A4 200 GLU OE2 43 -0.570000 15.9994 0 + 1828 A4 200 GLU C 14 0.600000 12.0110 0 + 1829 A4 200 GLU O 40 -0.550000 15.9994 0 + 1830 A4 201 VAL N 32 -0.400000 14.0067 0 + 1831 A4 201 VAL H 1 0.250000 1.0080 0 + 1832 A4 201 VAL CA 11 0.100000 13.0190 0 + 1833 A4 201 VAL CB 11 0.000000 13.0190 0 + 1834 A4 201 VAL CG1 13 0.000000 15.0350 0 + 1835 A4 201 VAL CG2 13 0.000000 15.0350 0 + 1836 A4 201 VAL C 14 0.600000 12.0110 0 + 1837 A4 201 VAL O 40 -0.550000 15.9994 0 + 1838 A4 202 ILE N 32 -0.400000 14.0067 0 + 1839 A4 202 ILE H 1 0.250000 1.0080 0 + 1840 A4 202 ILE CA 11 0.100000 13.0190 0 + 1841 A4 202 ILE CB 11 0.000000 13.0190 0 + 1842 A4 202 ILE CG2 13 0.000000 15.0350 0 + 1843 A4 202 ILE CG1 12 0.000000 14.0270 0 + 1844 A4 202 ILE CD1 13 0.000000 15.0350 0 + 1845 A4 202 ILE C 14 0.600000 12.0110 0 + 1846 A4 202 ILE O 40 -0.550000 15.9994 0 + 1847 A4 203 ILE N 32 -0.400000 14.0067 0 + 1848 A4 203 ILE H 1 0.250000 1.0080 0 + 1849 A4 203 ILE CA 11 0.100000 13.0190 0 + 1850 A4 203 ILE CB 11 0.000000 13.0190 0 + 1851 A4 203 ILE CG2 13 0.000000 15.0350 0 + 1852 A4 203 ILE CG1 12 0.000000 14.0270 0 + 1853 A4 203 ILE CD1 13 0.000000 15.0350 0 + 1854 A4 203 ILE C 14 0.600000 12.0110 0 + 1855 A4 203 ILE O 40 -0.550000 15.9994 0 + 1856 A4 204 VAL N 32 -0.400000 14.0067 0 + 1857 A4 204 VAL H 1 0.250000 1.0080 0 + 1858 A4 204 VAL CA 11 0.100000 13.0190 0 + 1859 A4 204 VAL CB 11 0.000000 13.0190 0 + 1860 A4 204 VAL CG1 13 0.000000 15.0350 0 + 1861 A4 204 VAL CG2 13 0.000000 15.0350 0 + 1862 A4 204 VAL C 14 0.600000 12.0110 0 + 1863 A4 204 VAL O 40 -0.550000 15.9994 0 + 1864 A4 205 ARG N 32 -0.400000 14.0067 0 + 1865 A4 205 ARG H 1 0.250000 1.0080 0 + 1866 A4 205 ARG CA 11 0.100000 13.0190 0 + 1867 A4 205 ARG CB 12 0.000000 14.0270 0 + 1868 A4 205 ARG CG 12 0.000000 14.0270 0 + 1869 A4 205 ARG CD 12 0.100000 14.0270 0 + 1870 A4 205 ARG NE 32 -0.400000 14.0067 0 + 1871 A4 205 ARG HE 1 0.300000 1.0080 0 + 1872 A4 205 ARG CZ 14 0.500000 12.0110 0 + 1873 A4 205 ARG NH1 37 -0.450000 14.0067 0 + 1874 A4 205 ARG HH11 2 0.350000 1.0080 0 + 1875 A4 205 ARG HH12 2 0.350000 1.0080 0 + 1876 A4 205 ARG NH2 37 -0.450000 14.0067 0 + 1877 A4 205 ARG HH21 2 0.350000 1.0080 0 + 1878 A4 205 ARG HH22 2 0.350000 1.0080 0 + 1879 A4 205 ARG C 14 0.600000 12.0110 0 + 1880 A4 205 ARG O 40 -0.550000 15.9994 0 + 1881 A4 206 VAL N 32 -0.400000 14.0067 0 + 1882 A4 206 VAL H 1 0.250000 1.0080 0 + 1883 A4 206 VAL CA 11 0.100000 13.0190 0 + 1884 A4 206 VAL CB 11 0.000000 13.0190 0 + 1885 A4 206 VAL CG1 13 0.000000 15.0350 0 + 1886 A4 206 VAL CG2 13 0.000000 15.0350 0 + 1887 A4 206 VAL C 14 0.600000 12.0110 0 + 1888 A4 206 VAL O 40 -0.550000 15.9994 0 + 1889 A4 207 GLU N 32 -0.400000 14.0067 0 + 1890 A4 207 GLU H 1 0.250000 1.0080 0 + 1891 A4 207 GLU CA 11 0.100000 13.0190 0 + 1892 A4 207 GLU CB 12 0.000000 14.0270 0 + 1893 A4 207 GLU CG 12 0.000000 14.0270 0 + 1894 A4 207 GLU CD 14 0.140000 12.0110 0 + 1895 A4 207 GLU OE1 43 -0.570000 15.9994 0 + 1896 A4 207 GLU OE2 43 -0.570000 15.9994 0 + 1897 A4 207 GLU C 14 0.600000 12.0110 0 + 1898 A4 207 GLU O 40 -0.550000 15.9994 0 + 1899 A4 208 ILE N 32 -0.400000 14.0067 0 + 1900 A4 208 ILE H 1 0.250000 1.0080 0 + 1901 A4 208 ILE CA 11 0.100000 13.0190 0 + 1902 A4 208 ILE CB 11 0.000000 13.0190 0 + 1903 A4 208 ILE CG2 13 0.000000 15.0350 0 + 1904 A4 208 ILE CG1 12 0.000000 14.0270 0 + 1905 A4 208 ILE CD1 13 0.000000 15.0350 0 + 1906 A4 208 ILE C 14 0.600000 12.0110 0 + 1907 A4 208 ILE O 40 -0.550000 15.9994 0 + 1908 A4 209 ASN N 32 -0.400000 14.0067 0 + 1909 A4 209 ASN H 1 0.250000 1.0080 0 + 1910 A4 209 ASN CA 11 0.100000 13.0190 0 + 1911 A4 209 ASN CB 12 0.000000 14.0270 0 + 1912 A4 209 ASN CG 14 0.550000 12.0110 0 + 1913 A4 209 ASN OD1 40 -0.550000 15.9994 0 + 1914 A4 209 ASN ND2 32 -0.600000 14.0067 0 + 1915 A4 209 ASN HD21 1 0.300000 1.0080 0 + 1916 A4 209 ASN HD22 1 0.300000 1.0080 0 + 1917 A4 209 ASN C 14 0.600000 12.0110 0 + 1918 A4 209 ASN O 40 -0.550000 15.9994 0 + 1919 A4 210 GLY N 32 -0.400000 14.0067 0 + 1920 A4 210 GLY H 1 0.250000 1.0080 0 + 1921 A4 210 GLY CA 12 0.100000 14.0270 0 + 1922 A4 210 GLY C 14 0.600000 12.0110 0 + 1923 A4 210 GLY O 40 -0.550000 15.9994 0 + 1924 A4 211 GLN N 32 -0.400000 14.0067 0 + 1925 A4 211 GLN H 1 0.250000 1.0080 0 + 1926 A4 211 GLN CA 11 0.100000 13.0190 0 + 1927 A4 211 GLN CB 12 0.000000 14.0270 0 + 1928 A4 211 GLN CG 12 0.000000 14.0270 0 + 1929 A4 211 GLN CD 14 0.550000 12.0110 0 + 1930 A4 211 GLN OE1 40 -0.550000 15.9994 0 + 1931 A4 211 GLN NE2 32 -0.600000 14.0067 0 + 1932 A4 211 GLN HE21 1 0.300000 1.0080 0 + 1933 A4 211 GLN HE22 1 0.300000 1.0080 0 + 1934 A4 211 GLN C 14 0.600000 12.0110 0 + 1935 A4 211 GLN O 40 -0.550000 15.9994 0 + 1936 A4 212 ASP N 32 -0.400000 14.0067 0 + 1937 A4 212 ASP H 1 0.250000 1.0080 0 + 1938 A4 212 ASP CA 11 0.100000 13.0190 0 + 1939 A4 212 ASP CB 12 0.000000 14.0270 0 + 1940 A4 212 ASP CG 14 0.140000 12.0110 0 + 1941 A4 212 ASP OD1 43 -0.570000 15.9994 0 + 1942 A4 212 ASP OD2 43 -0.570000 15.9994 0 + 1943 A4 212 ASP C 14 0.600000 12.0110 0 + 1944 A4 212 ASP O 40 -0.550000 15.9994 0 + 1945 A4 213 LEU N 32 -0.400000 14.0067 0 + 1946 A4 213 LEU H 1 0.250000 1.0080 0 + 1947 A4 213 LEU CA 11 0.100000 13.0190 0 + 1948 A4 213 LEU CB 12 0.000000 14.0270 0 + 1949 A4 213 LEU CG 11 0.000000 13.0190 0 + 1950 A4 213 LEU CD1 13 0.000000 15.0350 0 + 1951 A4 213 LEU CD2 13 0.000000 15.0350 0 + 1952 A4 213 LEU C 14 0.600000 12.0110 0 + 1953 A4 213 LEU O 40 -0.550000 15.9994 0 + 1954 A4 214 LYS N 32 -0.400000 14.0067 0 + 1955 A4 214 LYS H 1 0.250000 1.0080 0 + 1956 A4 214 LYS CA 11 0.100000 13.0190 0 + 1957 A4 214 LYS CB 12 0.000000 14.0270 0 + 1958 A4 214 LYS CG 12 0.000000 14.0270 0 + 1959 A4 214 LYS CD 12 0.000000 14.0270 0 + 1960 A4 214 LYS CE 12 0.250000 14.0270 0 + 1961 A4 214 LYS NZ 36 -0.300000 14.0067 0 + 1962 A4 214 LYS HZ1 2 0.350000 1.0080 0 + 1963 A4 214 LYS HZ2 2 0.350000 1.0080 0 + 1964 A4 214 LYS HZ3 2 0.350000 1.0080 0 + 1965 A4 214 LYS C 14 0.600000 12.0110 0 + 1966 A4 214 LYS O 40 -0.550000 15.9994 0 + 1967 A4 215 MET N 32 -0.400000 14.0067 0 + 1968 A4 215 MET H 1 0.250000 1.0080 0 + 1969 A4 215 MET CA 11 0.100000 13.0190 0 + 1970 A4 215 MET CB 12 0.000000 14.0270 0 + 1971 A4 215 MET CG 12 0.060000 14.0270 0 + 1972 A4 215 MET SD 74 -0.120000 32.0600 0 + 1973 A4 215 MET CE 13 0.060000 15.0350 0 + 1974 A4 215 MET C 14 0.600000 12.0110 0 + 1975 A4 215 MET O 40 -0.550000 15.9994 0 + 1976 A4 216 ASP N 32 -0.400000 14.0067 0 + 1977 A4 216 ASP H 1 0.250000 1.0080 0 + 1978 A4 216 ASP CA 11 0.100000 13.0190 0 + 1979 A4 216 ASP CB 12 0.000000 14.0270 0 + 1980 A4 216 ASP CG 14 0.140000 12.0110 0 + 1981 A4 216 ASP OD1 43 -0.570000 15.9994 0 + 1982 A4 216 ASP OD2 43 -0.570000 15.9994 0 + 1983 A4 216 ASP C 14 0.600000 12.0110 0 + 1984 A4 216 ASP O 40 -0.550000 15.9994 0 + 1985 A4 217 CYS N 32 -0.400000 14.0067 0 + 1986 A4 217 CYS H 1 0.250000 1.0080 0 + 1987 A4 217 CYS CA 11 0.100000 13.0190 0 + 1988 A4 217 CYS CB 12 0.190000 14.0270 0 + 1989 A4 217 CYS SG 70 -0.190000 32.0600 0 + 1990 A4 217 CYS C 14 0.600000 12.0110 0 + 1991 A4 217 CYS O 40 -0.550000 15.9994 0 + 1992 A4 218 LYS N 32 -0.400000 14.0067 0 + 1993 A4 218 LYS H 1 0.250000 1.0080 0 + 1994 A4 218 LYS CA 11 0.100000 13.0190 0 + 1995 A4 218 LYS CB 12 0.000000 14.0270 0 + 1996 A4 218 LYS CG 12 0.000000 14.0270 0 + 1997 A4 218 LYS CD 12 0.000000 14.0270 0 + 1998 A4 218 LYS CE 12 0.250000 14.0270 0 + 1999 A4 218 LYS NZ 36 -0.300000 14.0067 0 + 2000 A4 218 LYS HZ1 2 0.350000 1.0080 0 + 2001 A4 218 LYS HZ2 2 0.350000 1.0080 0 + 2002 A4 218 LYS HZ3 2 0.350000 1.0080 0 + 2003 A4 218 LYS C 14 0.600000 12.0110 0 + 2004 A4 218 LYS O 40 -0.550000 15.9994 0 + 2005 A4 219 GLU N 32 -0.400000 14.0067 0 + 2006 A4 219 GLU H 1 0.250000 1.0080 0 + 2007 A4 219 GLU CA 11 0.100000 13.0190 0 + 2008 A4 219 GLU CB 12 0.000000 14.0270 0 + 2009 A4 219 GLU CG 12 0.000000 14.0270 0 + 2010 A4 219 GLU CD 14 0.140000 12.0110 0 + 2011 A4 219 GLU OE1 43 -0.570000 15.9994 0 + 2012 A4 219 GLU OE2 43 -0.570000 15.9994 0 + 2013 A4 219 GLU C 14 0.600000 12.0110 0 + 2014 A4 219 GLU O 40 -0.550000 15.9994 0 + 2015 A4 220 TYR N 32 -0.400000 14.0067 0 + 2016 A4 220 TYR H 1 0.250000 1.0080 0 + 2017 A4 220 TYR CA 11 0.100000 13.0190 0 + 2018 A4 220 TYR CB 12 0.000000 14.0270 0 + 2019 A4 220 TYR CG 22 0.000000 12.0110 0 + 2020 A4 220 TYR CD1 24 0.000000 13.0190 0 + 2021 A4 220 TYR CE1 24 0.000000 13.0190 0 + 2022 A4 220 TYR CD2 24 0.000000 13.0190 0 + 2023 A4 220 TYR CE2 24 0.000000 13.0190 0 + 2024 A4 220 TYR CZ 22 0.250000 12.0110 0 + 2025 A4 220 TYR OH 45 -0.650000 15.9994 0 + 2026 A4 220 TYR HH 8 0.400000 1.0080 0 + 2027 A4 220 TYR C 14 0.600000 12.0110 0 + 2028 A4 220 TYR O 40 -0.550000 15.9994 0 + 2029 A4 221 ASN N 32 -0.400000 14.0067 0 + 2030 A4 221 ASN H 1 0.250000 1.0080 0 + 2031 A4 221 ASN CA 11 0.100000 13.0190 0 + 2032 A4 221 ASN CB 12 0.000000 14.0270 0 + 2033 A4 221 ASN CG 14 0.550000 12.0110 0 + 2034 A4 221 ASN OD1 40 -0.550000 15.9994 0 + 2035 A4 221 ASN ND2 32 -0.600000 14.0067 0 + 2036 A4 221 ASN HD21 1 0.300000 1.0080 0 + 2037 A4 221 ASN HD22 1 0.300000 1.0080 0 + 2038 A4 221 ASN C 14 0.600000 12.0110 0 + 2039 A4 221 ASN O 40 -0.550000 15.9994 0 + 2040 A4 222 TYR N 32 -0.400000 14.0067 0 + 2041 A4 222 TYR H 1 0.250000 1.0080 0 + 2042 A4 222 TYR CA 11 0.100000 13.0190 0 + 2043 A4 222 TYR CB 12 0.000000 14.0270 0 + 2044 A4 222 TYR CG 22 0.000000 12.0110 0 + 2045 A4 222 TYR CD1 24 0.000000 13.0190 0 + 2046 A4 222 TYR CE1 24 0.000000 13.0190 0 + 2047 A4 222 TYR CD2 24 0.000000 13.0190 0 + 2048 A4 222 TYR CE2 24 0.000000 13.0190 0 + 2049 A4 222 TYR CZ 22 0.250000 12.0110 0 + 2050 A4 222 TYR OH 45 -0.650000 15.9994 0 + 2051 A4 222 TYR HH 8 0.400000 1.0080 0 + 2052 A4 222 TYR C 14 0.600000 12.0110 0 + 2053 A4 222 TYR O 40 -0.550000 15.9994 0 + 2054 A4 223 ASP N 32 -0.400000 14.0067 0 + 2055 A4 223 ASP H 1 0.250000 1.0080 0 + 2056 A4 223 ASP CA 11 0.100000 13.0190 0 + 2057 A4 223 ASP CB 12 0.000000 14.0270 0 + 2058 A4 223 ASP CG 14 0.140000 12.0110 0 + 2059 A4 223 ASP OD1 43 -0.570000 15.9994 0 + 2060 A4 223 ASP OD2 43 -0.570000 15.9994 0 + 2061 A4 223 ASP C 14 0.600000 12.0110 0 + 2062 A4 223 ASP O 40 -0.550000 15.9994 0 + 2063 A4 224 LYS N 32 -0.400000 14.0067 0 + 2064 A4 224 LYS H 1 0.250000 1.0080 0 + 2065 A4 224 LYS CA 11 0.100000 13.0190 0 + 2066 A4 224 LYS CB 12 0.000000 14.0270 0 + 2067 A4 224 LYS CG 12 0.000000 14.0270 0 + 2068 A4 224 LYS CD 12 0.000000 14.0270 0 + 2069 A4 224 LYS CE 12 0.250000 14.0270 0 + 2070 A4 224 LYS NZ 36 -0.300000 14.0067 0 + 2071 A4 224 LYS HZ1 2 0.350000 1.0080 0 + 2072 A4 224 LYS HZ2 2 0.350000 1.0080 0 + 2073 A4 224 LYS HZ3 2 0.350000 1.0080 0 + 2074 A4 224 LYS C 14 0.600000 12.0110 0 + 2075 A4 224 LYS O 40 -0.550000 15.9994 0 + 2076 A4 225 SER N 32 -0.400000 14.0067 0 + 2077 A4 225 SER H 1 0.250000 1.0080 0 + 2078 A4 225 SER CA 11 0.100000 13.0190 0 + 2079 A4 225 SER CB 12 0.250000 14.0270 0 + 2080 A4 225 SER OG 45 -0.650000 15.9994 0 + 2081 A4 225 SER HG 8 0.400000 1.0080 0 + 2082 A4 225 SER C 14 0.600000 12.0110 0 + 2083 A4 225 SER O 40 -0.550000 15.9994 0 + 2084 A4 226 ILE N 32 -0.400000 14.0067 0 + 2085 A4 226 ILE H 1 0.250000 1.0080 0 + 2086 A4 226 ILE CA 11 0.100000 13.0190 0 + 2087 A4 226 ILE CB 11 0.000000 13.0190 0 + 2088 A4 226 ILE CG2 13 0.000000 15.0350 0 + 2089 A4 226 ILE CG1 12 0.000000 14.0270 0 + 2090 A4 226 ILE CD1 13 0.000000 15.0350 0 + 2091 A4 226 ILE C 14 0.600000 12.0110 0 + 2092 A4 226 ILE O 40 -0.550000 15.9994 0 + 2093 A4 227 VAL N 32 -0.400000 14.0067 0 + 2094 A4 227 VAL H 1 0.250000 1.0080 0 + 2095 A4 227 VAL CA 11 0.100000 13.0190 0 + 2096 A4 227 VAL CB 11 0.000000 13.0190 0 + 2097 A4 227 VAL CG1 13 0.000000 15.0350 0 + 2098 A4 227 VAL CG2 13 0.000000 15.0350 0 + 2099 A4 227 VAL C 14 0.600000 12.0110 0 + 2100 A4 227 VAL O 40 -0.550000 15.9994 0 + 2101 A4 228 ASP N 32 -0.400000 14.0067 0 + 2102 A4 228 ASP H 1 0.250000 1.0080 0 + 2103 A4 228 ASP CA 11 0.100000 13.0190 0 + 2104 A4 228 ASP CB 12 0.000000 14.0270 0 + 2105 A4 228 ASP CG 14 0.140000 12.0110 0 + 2106 A4 228 ASP OD1 43 -0.570000 15.9994 0 + 2107 A4 228 ASP OD2 43 -0.570000 15.9994 0 + 2108 A4 228 ASP C 14 0.600000 12.0110 0 + 2109 A4 228 ASP O 40 -0.550000 15.9994 0 + 2110 A4 229 SER N 32 -0.400000 14.0067 0 + 2111 A4 229 SER H 1 0.250000 1.0080 0 + 2112 A4 229 SER CA 11 0.100000 13.0190 0 + 2113 A4 229 SER CB 12 0.250000 14.0270 0 + 2114 A4 229 SER OG 45 -0.650000 15.9994 0 + 2115 A4 229 SER HG 8 0.400000 1.0080 0 + 2116 A4 229 SER C 14 0.600000 12.0110 0 + 2117 A4 229 SER O 40 -0.550000 15.9994 0 + 2118 A4 230 GLY N 32 -0.400000 14.0067 0 + 2119 A4 230 GLY H 1 0.250000 1.0080 0 + 2120 A4 230 GLY CA 12 0.100000 14.0270 0 + 2121 A4 230 GLY C 14 0.600000 12.0110 0 + 2122 A4 230 GLY O 40 -0.550000 15.9994 0 + 2123 A4 231 THR N 32 -0.400000 14.0067 0 + 2124 A4 231 THR H 1 0.250000 1.0080 0 + 2125 A4 231 THR CA 11 0.100000 13.0190 0 + 2126 A4 231 THR CB 11 0.250000 13.0190 0 + 2127 A4 231 THR OG1 45 -0.650000 15.9994 0 + 2128 A4 231 THR HG1 8 0.400000 1.0080 0 + 2129 A4 231 THR CG2 13 0.000000 15.0350 0 + 2130 A4 231 THR C 14 0.600000 12.0110 0 + 2131 A4 231 THR O 40 -0.550000 15.9994 0 + 2132 A4 232 THR N 32 -0.400000 14.0067 0 + 2133 A4 232 THR H 1 0.250000 1.0080 0 + 2134 A4 232 THR CA 11 0.100000 13.0190 0 + 2135 A4 232 THR CB 11 0.250000 13.0190 0 + 2136 A4 232 THR OG1 45 -0.650000 15.9994 0 + 2137 A4 232 THR HG1 8 0.400000 1.0080 0 + 2138 A4 232 THR CG2 13 0.000000 15.0350 0 + 2139 A4 232 THR C 14 0.600000 12.0110 0 + 2140 A4 232 THR O 40 -0.550000 15.9994 0 + 2141 A4 233 ASN N 32 -0.400000 14.0067 0 + 2142 A4 233 ASN H 1 0.250000 1.0080 0 + 2143 A4 233 ASN CA 11 0.100000 13.0190 0 + 2144 A4 233 ASN CB 12 0.000000 14.0270 0 + 2145 A4 233 ASN CG 14 0.550000 12.0110 0 + 2146 A4 233 ASN OD1 40 -0.550000 15.9994 0 + 2147 A4 233 ASN ND2 32 -0.600000 14.0067 0 + 2148 A4 233 ASN HD21 1 0.300000 1.0080 0 + 2149 A4 233 ASN HD22 1 0.300000 1.0080 0 + 2150 A4 233 ASN C 14 0.600000 12.0110 0 + 2151 A4 233 ASN O 40 -0.550000 15.9994 0 + 2152 A4 234 LEU N 32 -0.400000 14.0067 0 + 2153 A4 234 LEU H 1 0.250000 1.0080 0 + 2154 A4 234 LEU CA 11 0.100000 13.0190 0 + 2155 A4 234 LEU CB 12 0.000000 14.0270 0 + 2156 A4 234 LEU CG 11 0.000000 13.0190 0 + 2157 A4 234 LEU CD1 13 0.000000 15.0350 0 + 2158 A4 234 LEU CD2 13 0.000000 15.0350 0 + 2159 A4 234 LEU C 14 0.600000 12.0110 0 + 2160 A4 234 LEU O 40 -0.550000 15.9994 0 + 2161 A4 235 ARG N 32 -0.400000 14.0067 0 + 2162 A4 235 ARG H 1 0.250000 1.0080 0 + 2163 A4 235 ARG CA 11 0.100000 13.0190 0 + 2164 A4 235 ARG CB 12 0.000000 14.0270 0 + 2165 A4 235 ARG CG 12 0.000000 14.0270 0 + 2166 A4 235 ARG CD 12 0.100000 14.0270 0 + 2167 A4 235 ARG NE 32 -0.400000 14.0067 0 + 2168 A4 235 ARG HE 1 0.300000 1.0080 0 + 2169 A4 235 ARG CZ 14 0.500000 12.0110 0 + 2170 A4 235 ARG NH1 37 -0.450000 14.0067 0 + 2171 A4 235 ARG HH11 2 0.350000 1.0080 0 + 2172 A4 235 ARG HH12 2 0.350000 1.0080 0 + 2173 A4 235 ARG NH2 37 -0.450000 14.0067 0 + 2174 A4 235 ARG HH21 2 0.350000 1.0080 0 + 2175 A4 235 ARG HH22 2 0.350000 1.0080 0 + 2176 A4 235 ARG C 14 0.600000 12.0110 0 + 2177 A4 235 ARG O 40 -0.550000 15.9994 0 + 2178 A4 236 LEU N 32 -0.400000 14.0067 0 + 2179 A4 236 LEU H 1 0.250000 1.0080 0 + 2180 A4 236 LEU CA 11 0.100000 13.0190 0 + 2181 A4 236 LEU CB 12 0.000000 14.0270 0 + 2182 A4 236 LEU CG 11 0.000000 13.0190 0 + 2183 A4 236 LEU CD1 13 0.000000 15.0350 0 + 2184 A4 236 LEU CD2 13 0.000000 15.0350 0 + 2185 A4 236 LEU C 14 0.600000 12.0110 0 + 2186 A4 236 LEU O 40 -0.550000 15.9994 0 + 2187 A4 237 PRO N 33 -0.250000 14.0067 0 + 2188 A4 237 PRO CD 12 0.100000 14.0270 0 + 2189 A4 237 PRO CA 11 0.100000 13.0190 0 + 2190 A4 237 PRO CB 12 0.000000 14.0270 0 + 2191 A4 237 PRO CG 12 0.000000 14.0270 0 + 2192 A4 237 PRO C 14 0.600000 12.0110 0 + 2193 A4 237 PRO O 40 -0.550000 15.9994 0 + 2194 A4 238 LYS N 32 -0.400000 14.0067 0 + 2195 A4 238 LYS H 1 0.250000 1.0080 0 + 2196 A4 238 LYS CA 11 0.100000 13.0190 0 + 2197 A4 238 LYS CB 12 0.000000 14.0270 0 + 2198 A4 238 LYS CG 12 0.000000 14.0270 0 + 2199 A4 238 LYS CD 12 0.000000 14.0270 0 + 2200 A4 238 LYS CE 12 0.250000 14.0270 0 + 2201 A4 238 LYS NZ 36 -0.300000 14.0067 0 + 2202 A4 238 LYS HZ1 2 0.350000 1.0080 0 + 2203 A4 238 LYS HZ2 2 0.350000 1.0080 0 + 2204 A4 238 LYS HZ3 2 0.350000 1.0080 0 + 2205 A4 238 LYS C 14 0.600000 12.0110 0 + 2206 A4 238 LYS O 40 -0.550000 15.9994 0 + 2207 A4 239 LYS N 32 -0.400000 14.0067 0 + 2208 A4 239 LYS H 1 0.250000 1.0080 0 + 2209 A4 239 LYS CA 11 0.100000 13.0190 0 + 2210 A4 239 LYS CB 12 0.000000 14.0270 0 + 2211 A4 239 LYS CG 12 0.000000 14.0270 0 + 2212 A4 239 LYS CD 12 0.000000 14.0270 0 + 2213 A4 239 LYS CE 12 0.250000 14.0270 0 + 2214 A4 239 LYS NZ 36 -0.300000 14.0067 0 + 2215 A4 239 LYS HZ1 2 0.350000 1.0080 0 + 2216 A4 239 LYS HZ2 2 0.350000 1.0080 0 + 2217 A4 239 LYS HZ3 2 0.350000 1.0080 0 + 2218 A4 239 LYS C 14 0.600000 12.0110 0 + 2219 A4 239 LYS O 40 -0.550000 15.9994 0 + 2220 A4 240 VAL N 32 -0.400000 14.0067 0 + 2221 A4 240 VAL H 1 0.250000 1.0080 0 + 2222 A4 240 VAL CA 11 0.100000 13.0190 0 + 2223 A4 240 VAL CB 11 0.000000 13.0190 0 + 2224 A4 240 VAL CG1 13 0.000000 15.0350 0 + 2225 A4 240 VAL CG2 13 0.000000 15.0350 0 + 2226 A4 240 VAL C 14 0.600000 12.0110 0 + 2227 A4 240 VAL O 40 -0.550000 15.9994 0 + 2228 A4 241 PHE N 32 -0.400000 14.0067 0 + 2229 A4 241 PHE H 1 0.250000 1.0080 0 + 2230 A4 241 PHE CA 11 0.100000 13.0190 0 + 2231 A4 241 PHE CB 12 0.000000 14.0270 0 + 2232 A4 241 PHE CG 22 0.000000 12.0110 0 + 2233 A4 241 PHE CD1 24 0.000000 13.0190 0 + 2234 A4 241 PHE CD2 24 0.000000 13.0190 0 + 2235 A4 241 PHE CE1 24 0.000000 13.0190 0 + 2236 A4 241 PHE CE2 24 0.000000 13.0190 0 + 2237 A4 241 PHE CZ 24 0.000000 13.0190 0 + 2238 A4 241 PHE C 14 0.600000 12.0110 0 + 2239 A4 241 PHE O 40 -0.550000 15.9994 0 + 2240 A4 242 GLU N 32 -0.400000 14.0067 0 + 2241 A4 242 GLU H 1 0.250000 1.0080 0 + 2242 A4 242 GLU CA 11 0.100000 13.0190 0 + 2243 A4 242 GLU CB 12 0.000000 14.0270 0 + 2244 A4 242 GLU CG 12 0.000000 14.0270 0 + 2245 A4 242 GLU CD 14 0.140000 12.0110 0 + 2246 A4 242 GLU OE1 43 -0.570000 15.9994 0 + 2247 A4 242 GLU OE2 43 -0.570000 15.9994 0 + 2248 A4 242 GLU C 14 0.600000 12.0110 0 + 2249 A4 242 GLU O 40 -0.550000 15.9994 0 + 2250 A4 243 ALA N 32 -0.400000 14.0067 0 + 2251 A4 243 ALA H 1 0.250000 1.0080 0 + 2252 A4 243 ALA CA 11 0.100000 13.0190 0 + 2253 A4 243 ALA CB 13 0.000000 15.0350 0 + 2254 A4 243 ALA C 14 0.600000 12.0110 0 + 2255 A4 243 ALA O 40 -0.550000 15.9994 0 + 2256 A4 244 ALA N 32 -0.400000 14.0067 0 + 2257 A4 244 ALA H 1 0.250000 1.0080 0 + 2258 A4 244 ALA CA 11 0.100000 13.0190 0 + 2259 A4 244 ALA CB 13 0.000000 15.0350 0 + 2260 A4 244 ALA C 14 0.600000 12.0110 0 + 2261 A4 244 ALA O 40 -0.550000 15.9994 0 + 2262 A4 245 VAL N 32 -0.400000 14.0067 0 + 2263 A4 245 VAL H 1 0.250000 1.0080 0 + 2264 A4 245 VAL CA 11 0.100000 13.0190 0 + 2265 A4 245 VAL CB 11 0.000000 13.0190 0 + 2266 A4 245 VAL CG1 13 0.000000 15.0350 0 + 2267 A4 245 VAL CG2 13 0.000000 15.0350 0 + 2268 A4 245 VAL C 14 0.600000 12.0110 0 + 2269 A4 245 VAL O 40 -0.550000 15.9994 0 + 2270 A4 246 LYS N 32 -0.400000 14.0067 0 + 2271 A4 246 LYS H 1 0.250000 1.0080 0 + 2272 A4 246 LYS CA 11 0.100000 13.0190 0 + 2273 A4 246 LYS CB 12 0.000000 14.0270 0 + 2274 A4 246 LYS CG 12 0.000000 14.0270 0 + 2275 A4 246 LYS CD 12 0.000000 14.0270 0 + 2276 A4 246 LYS CE 12 0.250000 14.0270 0 + 2277 A4 246 LYS NZ 36 -0.300000 14.0067 0 + 2278 A4 246 LYS HZ1 2 0.350000 1.0080 0 + 2279 A4 246 LYS HZ2 2 0.350000 1.0080 0 + 2280 A4 246 LYS HZ3 2 0.350000 1.0080 0 + 2281 A4 246 LYS C 14 0.600000 12.0110 0 + 2282 A4 246 LYS O 40 -0.550000 15.9994 0 + 2283 A4 247 SER N 32 -0.400000 14.0067 0 + 2284 A4 247 SER H 1 0.250000 1.0080 0 + 2285 A4 247 SER CA 11 0.100000 13.0190 0 + 2286 A4 247 SER CB 12 0.250000 14.0270 0 + 2287 A4 247 SER OG 45 -0.650000 15.9994 0 + 2288 A4 247 SER HG 8 0.400000 1.0080 0 + 2289 A4 247 SER C 14 0.600000 12.0110 0 + 2290 A4 247 SER O 40 -0.550000 15.9994 0 + 2291 A4 248 ILE N 32 -0.400000 14.0067 0 + 2292 A4 248 ILE H 1 0.250000 1.0080 0 + 2293 A4 248 ILE CA 11 0.100000 13.0190 0 + 2294 A4 248 ILE CB 11 0.000000 13.0190 0 + 2295 A4 248 ILE CG2 13 0.000000 15.0350 0 + 2296 A4 248 ILE CG1 12 0.000000 14.0270 0 + 2297 A4 248 ILE CD1 13 0.000000 15.0350 0 + 2298 A4 248 ILE C 14 0.600000 12.0110 0 + 2299 A4 248 ILE O 40 -0.550000 15.9994 0 + 2300 A4 249 LYS N 32 -0.400000 14.0067 0 + 2301 A4 249 LYS H 1 0.250000 1.0080 0 + 2302 A4 249 LYS CA 11 0.100000 13.0190 0 + 2303 A4 249 LYS CB 12 0.000000 14.0270 0 + 2304 A4 249 LYS CG 12 0.000000 14.0270 0 + 2305 A4 249 LYS CD 12 0.000000 14.0270 0 + 2306 A4 249 LYS CE 12 0.250000 14.0270 0 + 2307 A4 249 LYS NZ 36 -0.300000 14.0067 0 + 2308 A4 249 LYS HZ1 2 0.350000 1.0080 0 + 2309 A4 249 LYS HZ2 2 0.350000 1.0080 0 + 2310 A4 249 LYS HZ3 2 0.350000 1.0080 0 + 2311 A4 249 LYS C 14 0.600000 12.0110 0 + 2312 A4 249 LYS O 40 -0.550000 15.9994 0 + 2313 A4 250 ALA N 32 -0.400000 14.0067 0 + 2314 A4 250 ALA H 1 0.250000 1.0080 0 + 2315 A4 250 ALA CA 11 0.100000 13.0190 0 + 2316 A4 250 ALA CB 13 0.000000 15.0350 0 + 2317 A4 250 ALA C 14 0.600000 12.0110 0 + 2318 A4 250 ALA O 40 -0.550000 15.9994 0 + 2319 A4 251 ALA N 32 -0.400000 14.0067 0 + 2320 A4 251 ALA H 1 0.250000 1.0080 0 + 2321 A4 251 ALA CA 11 0.100000 13.0190 0 + 2322 A4 251 ALA CB 13 0.000000 15.0350 0 + 2323 A4 251 ALA C 14 0.600000 12.0110 0 + 2324 A4 251 ALA O 40 -0.550000 15.9994 0 + 2325 A4 252 SER N 32 -0.400000 14.0067 0 + 2326 A4 252 SER H 1 0.250000 1.0080 0 + 2327 A4 252 SER CA 11 0.100000 13.0190 0 + 2328 A4 252 SER CB 12 0.250000 14.0270 0 + 2329 A4 252 SER OG 45 -0.650000 15.9994 0 + 2330 A4 252 SER HG 8 0.400000 1.0080 0 + 2331 A4 252 SER C 14 0.600000 12.0110 0 + 2332 A4 252 SER O 40 -0.550000 15.9994 0 + 2333 A4 253 SER N 32 -0.400000 14.0067 0 + 2334 A4 253 SER H 1 0.250000 1.0080 0 + 2335 A4 253 SER CA 11 0.100000 13.0190 0 + 2336 A4 253 SER CB 12 0.250000 14.0270 0 + 2337 A4 253 SER OG 45 -0.650000 15.9994 0 + 2338 A4 253 SER HG 8 0.400000 1.0080 0 + 2339 A4 253 SER C 14 0.600000 12.0110 0 + 2340 A4 253 SER O 40 -0.550000 15.9994 0 + 2341 A4 254 THR N 32 -0.400000 14.0067 0 + 2342 A4 254 THR H 1 0.250000 1.0080 0 + 2343 A4 254 THR CA 11 0.100000 13.0190 0 + 2344 A4 254 THR CB 11 0.250000 13.0190 0 + 2345 A4 254 THR OG1 45 -0.650000 15.9994 0 + 2346 A4 254 THR HG1 8 0.400000 1.0080 0 + 2347 A4 254 THR CG2 13 0.000000 15.0350 0 + 2348 A4 254 THR C 14 0.600000 12.0110 0 + 2349 A4 254 THR O 40 -0.550000 15.9994 0 + 2350 A4 255 GLU N 32 -0.400000 14.0067 0 + 2351 A4 255 GLU H 1 0.250000 1.0080 0 + 2352 A4 255 GLU CA 11 0.100000 13.0190 0 + 2353 A4 255 GLU CB 12 0.000000 14.0270 0 + 2354 A4 255 GLU CG 12 0.000000 14.0270 0 + 2355 A4 255 GLU CD 14 0.140000 12.0110 0 + 2356 A4 255 GLU OE1 43 -0.570000 15.9994 0 + 2357 A4 255 GLU OE2 43 -0.570000 15.9994 0 + 2358 A4 255 GLU C 14 0.600000 12.0110 0 + 2359 A4 255 GLU O 40 -0.550000 15.9994 0 + 2360 A4 256 LYS N 32 -0.400000 14.0067 0 + 2361 A4 256 LYS H 1 0.250000 1.0080 0 + 2362 A4 256 LYS CA 11 0.100000 13.0190 0 + 2363 A4 256 LYS CB 12 0.000000 14.0270 0 + 2364 A4 256 LYS CG 12 0.000000 14.0270 0 + 2365 A4 256 LYS CD 12 0.000000 14.0270 0 + 2366 A4 256 LYS CE 12 0.250000 14.0270 0 + 2367 A4 256 LYS NZ 36 -0.300000 14.0067 0 + 2368 A4 256 LYS HZ1 2 0.350000 1.0080 0 + 2369 A4 256 LYS HZ2 2 0.350000 1.0080 0 + 2370 A4 256 LYS HZ3 2 0.350000 1.0080 0 + 2371 A4 256 LYS C 14 0.600000 12.0110 0 + 2372 A4 256 LYS O 40 -0.550000 15.9994 0 + 2373 A4 257 PHE N 32 -0.400000 14.0067 0 + 2374 A4 257 PHE H 1 0.250000 1.0080 0 + 2375 A4 257 PHE CA 11 0.100000 13.0190 0 + 2376 A4 257 PHE CB 12 0.000000 14.0270 0 + 2377 A4 257 PHE CG 22 0.000000 12.0110 0 + 2378 A4 257 PHE CD1 24 0.000000 13.0190 0 + 2379 A4 257 PHE CD2 24 0.000000 13.0190 0 + 2380 A4 257 PHE CE1 24 0.000000 13.0190 0 + 2381 A4 257 PHE CE2 24 0.000000 13.0190 0 + 2382 A4 257 PHE CZ 24 0.000000 13.0190 0 + 2383 A4 257 PHE C 14 0.600000 12.0110 0 + 2384 A4 257 PHE O 40 -0.550000 15.9994 0 + 2385 A4 258 PRO N 33 -0.250000 14.0067 0 + 2386 A4 258 PRO CD 12 0.100000 14.0270 0 + 2387 A4 258 PRO CA 11 0.100000 13.0190 0 + 2388 A4 258 PRO CB 12 0.000000 14.0270 0 + 2389 A4 258 PRO CG 12 0.000000 14.0270 0 + 2390 A4 258 PRO C 14 0.600000 12.0110 0 + 2391 A4 258 PRO O 40 -0.550000 15.9994 0 + 2392 A4 259 ASP N 32 -0.400000 14.0067 0 + 2393 A4 259 ASP H 1 0.250000 1.0080 0 + 2394 A4 259 ASP CA 11 0.100000 13.0190 0 + 2395 A4 259 ASP CB 12 0.000000 14.0270 0 + 2396 A4 259 ASP CG 14 0.140000 12.0110 0 + 2397 A4 259 ASP OD1 43 -0.570000 15.9994 0 + 2398 A4 259 ASP OD2 43 -0.570000 15.9994 0 + 2399 A4 259 ASP C 14 0.600000 12.0110 0 + 2400 A4 259 ASP O 40 -0.550000 15.9994 0 + 2401 A4 260 GLY N 32 -0.400000 14.0067 0 + 2402 A4 260 GLY H 1 0.250000 1.0080 0 + 2403 A4 260 GLY CA 12 0.100000 14.0270 0 + 2404 A4 260 GLY C 14 0.600000 12.0110 0 + 2405 A4 260 GLY O 40 -0.550000 15.9994 0 + 2406 A4 261 PHE N 32 -0.400000 14.0067 0 + 2407 A4 261 PHE H 1 0.250000 1.0080 0 + 2408 A4 261 PHE CA 11 0.100000 13.0190 0 + 2409 A4 261 PHE CB 12 0.000000 14.0270 0 + 2410 A4 261 PHE CG 22 0.000000 12.0110 0 + 2411 A4 261 PHE CD1 24 0.000000 13.0190 0 + 2412 A4 261 PHE CD2 24 0.000000 13.0190 0 + 2413 A4 261 PHE CE1 24 0.000000 13.0190 0 + 2414 A4 261 PHE CE2 24 0.000000 13.0190 0 + 2415 A4 261 PHE CZ 24 0.000000 13.0190 0 + 2416 A4 261 PHE C 14 0.600000 12.0110 0 + 2417 A4 261 PHE O 40 -0.550000 15.9994 0 + 2418 A4 262 TRP N 32 -0.400000 14.0067 0 + 2419 A4 262 TRP H 1 0.250000 1.0080 0 + 2420 A4 262 TRP CA 11 0.100000 13.0190 0 + 2421 A4 262 TRP CB 12 0.000000 14.0270 0 + 2422 A4 262 TRP CG 21 -0.030000 12.0110 0 + 2423 A4 262 TRP CD2 26 0.100000 12.0110 0 + 2424 A4 262 TRP CE2 26 -0.040000 12.0110 0 + 2425 A4 262 TRP CE3 24 -0.030000 13.0190 0 + 2426 A4 262 TRP CD1 23 0.060000 13.0190 0 + 2427 A4 262 TRP NE1 34 -0.360000 14.0067 0 + 2428 A4 262 TRP HE1 1 0.300000 1.0080 0 + 2429 A4 262 TRP CZ2 24 0.000000 13.0190 0 + 2430 A4 262 TRP CZ3 24 0.000000 13.0190 0 + 2431 A4 262 TRP CH2 24 0.000000 13.0190 0 + 2432 A4 262 TRP C 14 0.600000 12.0110 0 + 2433 A4 262 TRP O 40 -0.550000 15.9994 0 + 2434 A4 263 LEU N 32 -0.400000 14.0067 0 + 2435 A4 263 LEU H 1 0.250000 1.0080 0 + 2436 A4 263 LEU CA 11 0.100000 13.0190 0 + 2437 A4 263 LEU CB 12 0.000000 14.0270 0 + 2438 A4 263 LEU CG 11 0.000000 13.0190 0 + 2439 A4 263 LEU CD1 13 0.000000 15.0350 0 + 2440 A4 263 LEU CD2 13 0.000000 15.0350 0 + 2441 A4 263 LEU C 14 0.600000 12.0110 0 + 2442 A4 263 LEU O 40 -0.550000 15.9994 0 + 2443 A4 264 GLY N 32 -0.400000 14.0067 0 + 2444 A4 264 GLY H 1 0.250000 1.0080 0 + 2445 A4 264 GLY CA 12 0.100000 14.0270 0 + 2446 A4 264 GLY C 14 0.600000 12.0110 0 + 2447 A4 264 GLY O 40 -0.550000 15.9994 0 + 2448 A4 265 GLU N 32 -0.400000 14.0067 0 + 2449 A4 265 GLU H 1 0.250000 1.0080 0 + 2450 A4 265 GLU CA 11 0.100000 13.0190 0 + 2451 A4 265 GLU CB 12 0.000000 14.0270 0 + 2452 A4 265 GLU CG 12 0.000000 14.0270 0 + 2453 A4 265 GLU CD 14 0.140000 12.0110 0 + 2454 A4 265 GLU OE1 43 -0.570000 15.9994 0 + 2455 A4 265 GLU OE2 43 -0.570000 15.9994 0 + 2456 A4 265 GLU C 14 0.600000 12.0110 0 + 2457 A4 265 GLU O 40 -0.550000 15.9994 0 + 2458 A4 266 GLN N 32 -0.400000 14.0067 0 + 2459 A4 266 GLN H 1 0.250000 1.0080 0 + 2460 A4 266 GLN CA 11 0.100000 13.0190 0 + 2461 A4 266 GLN CB 12 0.000000 14.0270 0 + 2462 A4 266 GLN CG 12 0.000000 14.0270 0 + 2463 A4 266 GLN CD 14 0.550000 12.0110 0 + 2464 A4 266 GLN OE1 40 -0.550000 15.9994 0 + 2465 A4 266 GLN NE2 32 -0.600000 14.0067 0 + 2466 A4 266 GLN HE21 1 0.300000 1.0080 0 + 2467 A4 266 GLN HE22 1 0.300000 1.0080 0 + 2468 A4 266 GLN C 14 0.600000 12.0110 0 + 2469 A4 266 GLN O 40 -0.550000 15.9994 0 + 2470 A4 267 LEU N 32 -0.400000 14.0067 0 + 2471 A4 267 LEU H 1 0.250000 1.0080 0 + 2472 A4 267 LEU CA 11 0.100000 13.0190 0 + 2473 A4 267 LEU CB 12 0.000000 14.0270 0 + 2474 A4 267 LEU CG 11 0.000000 13.0190 0 + 2475 A4 267 LEU CD1 13 0.000000 15.0350 0 + 2476 A4 267 LEU CD2 13 0.000000 15.0350 0 + 2477 A4 267 LEU C 14 0.600000 12.0110 0 + 2478 A4 267 LEU O 40 -0.550000 15.9994 0 + 2479 A4 268 VAL N 32 -0.400000 14.0067 0 + 2480 A4 268 VAL H 1 0.250000 1.0080 0 + 2481 A4 268 VAL CA 11 0.100000 13.0190 0 + 2482 A4 268 VAL CB 11 0.000000 13.0190 0 + 2483 A4 268 VAL CG1 13 0.000000 15.0350 0 + 2484 A4 268 VAL CG2 13 0.000000 15.0350 0 + 2485 A4 268 VAL C 14 0.600000 12.0110 0 + 2486 A4 268 VAL O 40 -0.550000 15.9994 0 + 2487 A4 269 CYS N 32 -0.400000 14.0067 0 + 2488 A4 269 CYS H 1 0.250000 1.0080 0 + 2489 A4 269 CYS CA 11 0.100000 13.0190 0 + 2490 A4 269 CYS CB 12 0.190000 14.0270 0 + 2491 A4 269 CYS SG 70 -0.190000 32.0600 0 + 2492 A4 269 CYS C 14 0.600000 12.0110 0 + 2493 A4 269 CYS O 40 -0.550000 15.9994 0 + 2494 A4 270 TRP N 32 -0.400000 14.0067 0 + 2495 A4 270 TRP H 1 0.250000 1.0080 0 + 2496 A4 270 TRP CA 11 0.100000 13.0190 0 + 2497 A4 270 TRP CB 12 0.000000 14.0270 0 + 2498 A4 270 TRP CG 21 -0.030000 12.0110 0 + 2499 A4 270 TRP CD2 26 0.100000 12.0110 0 + 2500 A4 270 TRP CE2 26 -0.040000 12.0110 0 + 2501 A4 270 TRP CE3 24 -0.030000 13.0190 0 + 2502 A4 270 TRP CD1 23 0.060000 13.0190 0 + 2503 A4 270 TRP NE1 34 -0.360000 14.0067 0 + 2504 A4 270 TRP HE1 1 0.300000 1.0080 0 + 2505 A4 270 TRP CZ2 24 0.000000 13.0190 0 + 2506 A4 270 TRP CZ3 24 0.000000 13.0190 0 + 2507 A4 270 TRP CH2 24 0.000000 13.0190 0 + 2508 A4 270 TRP C 14 0.600000 12.0110 0 + 2509 A4 270 TRP O 40 -0.550000 15.9994 0 + 2510 A4 271 GLN N 32 -0.400000 14.0067 0 + 2511 A4 271 GLN H 1 0.250000 1.0080 0 + 2512 A4 271 GLN CA 11 0.100000 13.0190 0 + 2513 A4 271 GLN CB 12 0.000000 14.0270 0 + 2514 A4 271 GLN CG 12 0.000000 14.0270 0 + 2515 A4 271 GLN CD 14 0.550000 12.0110 0 + 2516 A4 271 GLN OE1 40 -0.550000 15.9994 0 + 2517 A4 271 GLN NE2 32 -0.600000 14.0067 0 + 2518 A4 271 GLN HE21 1 0.300000 1.0080 0 + 2519 A4 271 GLN HE22 1 0.300000 1.0080 0 + 2520 A4 271 GLN C 14 0.600000 12.0110 0 + 2521 A4 271 GLN O 40 -0.550000 15.9994 0 + 2522 A4 272 ALA N 32 -0.400000 14.0067 0 + 2523 A4 272 ALA H 1 0.250000 1.0080 0 + 2524 A4 272 ALA CA 11 0.100000 13.0190 0 + 2525 A4 272 ALA CB 13 0.000000 15.0350 0 + 2526 A4 272 ALA C 14 0.600000 12.0110 0 + 2527 A4 272 ALA O 40 -0.550000 15.9994 0 + 2528 A4 273 GLY N 32 -0.400000 14.0067 0 + 2529 A4 273 GLY H 1 0.250000 1.0080 0 + 2530 A4 273 GLY CA 12 0.100000 14.0270 0 + 2531 A4 273 GLY C 14 0.600000 12.0110 0 + 2532 A4 273 GLY O 40 -0.550000 15.9994 0 + 2533 A4 274 THR N 32 -0.400000 14.0067 0 + 2534 A4 274 THR H 1 0.250000 1.0080 0 + 2535 A4 274 THR CA 11 0.100000 13.0190 0 + 2536 A4 274 THR CB 11 0.250000 13.0190 0 + 2537 A4 274 THR OG1 45 -0.650000 15.9994 0 + 2538 A4 274 THR HG1 8 0.400000 1.0080 0 + 2539 A4 274 THR CG2 13 0.000000 15.0350 0 + 2540 A4 274 THR C 14 0.600000 12.0110 0 + 2541 A4 274 THR O 40 -0.550000 15.9994 0 + 2542 A4 275 THR N 32 -0.400000 14.0067 0 + 2543 A4 275 THR H 1 0.250000 1.0080 0 + 2544 A4 275 THR CA 11 0.100000 13.0190 0 + 2545 A4 275 THR CB 11 0.250000 13.0190 0 + 2546 A4 275 THR OG1 45 -0.650000 15.9994 0 + 2547 A4 275 THR HG1 8 0.400000 1.0080 0 + 2548 A4 275 THR CG2 13 0.000000 15.0350 0 + 2549 A4 275 THR C 14 0.600000 12.0110 0 + 2550 A4 275 THR O 40 -0.550000 15.9994 0 + 2551 A4 276 PRO N 33 -0.250000 14.0067 0 + 2552 A4 276 PRO CD 12 0.100000 14.0270 0 + 2553 A4 276 PRO CA 11 0.100000 13.0190 0 + 2554 A4 276 PRO CB 12 0.000000 14.0270 0 + 2555 A4 276 PRO CG 12 0.000000 14.0270 0 + 2556 A4 276 PRO C 14 0.600000 12.0110 0 + 2557 A4 276 PRO O 40 -0.550000 15.9994 0 + 2558 A4 277 TRP N 32 -0.400000 14.0067 0 + 2559 A4 277 TRP H 1 0.250000 1.0080 0 + 2560 A4 277 TRP CA 11 0.100000 13.0190 0 + 2561 A4 277 TRP CB 12 0.000000 14.0270 0 + 2562 A4 277 TRP CG 21 -0.030000 12.0110 0 + 2563 A4 277 TRP CD2 26 0.100000 12.0110 0 + 2564 A4 277 TRP CE2 26 -0.040000 12.0110 0 + 2565 A4 277 TRP CE3 24 -0.030000 13.0190 0 + 2566 A4 277 TRP CD1 23 0.060000 13.0190 0 + 2567 A4 277 TRP NE1 34 -0.360000 14.0067 0 + 2568 A4 277 TRP HE1 1 0.300000 1.0080 0 + 2569 A4 277 TRP CZ2 24 0.000000 13.0190 0 + 2570 A4 277 TRP CZ3 24 0.000000 13.0190 0 + 2571 A4 277 TRP CH2 24 0.000000 13.0190 0 + 2572 A4 277 TRP C 14 0.600000 12.0110 0 + 2573 A4 277 TRP O 40 -0.550000 15.9994 0 + 2574 A4 278 ASN N 32 -0.400000 14.0067 0 + 2575 A4 278 ASN H 1 0.250000 1.0080 0 + 2576 A4 278 ASN CA 11 0.100000 13.0190 0 + 2577 A4 278 ASN CB 12 0.000000 14.0270 0 + 2578 A4 278 ASN CG 14 0.550000 12.0110 0 + 2579 A4 278 ASN OD1 40 -0.550000 15.9994 0 + 2580 A4 278 ASN ND2 32 -0.600000 14.0067 0 + 2581 A4 278 ASN HD21 1 0.300000 1.0080 0 + 2582 A4 278 ASN HD22 1 0.300000 1.0080 0 + 2583 A4 278 ASN C 14 0.600000 12.0110 0 + 2584 A4 278 ASN O 40 -0.550000 15.9994 0 + 2585 A4 279 ILE N 32 -0.400000 14.0067 0 + 2586 A4 279 ILE H 1 0.250000 1.0080 0 + 2587 A4 279 ILE CA 11 0.100000 13.0190 0 + 2588 A4 279 ILE CB 11 0.000000 13.0190 0 + 2589 A4 279 ILE CG2 13 0.000000 15.0350 0 + 2590 A4 279 ILE CG1 12 0.000000 14.0270 0 + 2591 A4 279 ILE CD1 13 0.000000 15.0350 0 + 2592 A4 279 ILE C 14 0.600000 12.0110 0 + 2593 A4 279 ILE O 40 -0.550000 15.9994 0 + 2594 A4 280 PHE N 32 -0.400000 14.0067 0 + 2595 A4 280 PHE H 1 0.250000 1.0080 0 + 2596 A4 280 PHE CA 11 0.100000 13.0190 0 + 2597 A4 280 PHE CB 12 0.000000 14.0270 0 + 2598 A4 280 PHE CG 22 0.000000 12.0110 0 + 2599 A4 280 PHE CD1 24 0.000000 13.0190 0 + 2600 A4 280 PHE CD2 24 0.000000 13.0190 0 + 2601 A4 280 PHE CE1 24 0.000000 13.0190 0 + 2602 A4 280 PHE CE2 24 0.000000 13.0190 0 + 2603 A4 280 PHE CZ 24 0.000000 13.0190 0 + 2604 A4 280 PHE C 14 0.600000 12.0110 0 + 2605 A4 280 PHE O 40 -0.550000 15.9994 0 + 2606 A4 281 PRO N 33 -0.250000 14.0067 0 + 2607 A4 281 PRO CD 12 0.100000 14.0270 0 + 2608 A4 281 PRO CA 11 0.100000 13.0190 0 + 2609 A4 281 PRO CB 12 0.000000 14.0270 0 + 2610 A4 281 PRO CG 12 0.000000 14.0270 0 + 2611 A4 281 PRO C 14 0.600000 12.0110 0 + 2612 A4 281 PRO O 40 -0.550000 15.9994 0 + 2613 A4 282 VAL N 32 -0.400000 14.0067 0 + 2614 A4 282 VAL H 1 0.250000 1.0080 0 + 2615 A4 282 VAL CA 11 0.100000 13.0190 0 + 2616 A4 282 VAL CB 11 0.000000 13.0190 0 + 2617 A4 282 VAL CG1 13 0.000000 15.0350 0 + 2618 A4 282 VAL CG2 13 0.000000 15.0350 0 + 2619 A4 282 VAL C 14 0.600000 12.0110 0 + 2620 A4 282 VAL O 40 -0.550000 15.9994 0 + 2621 A4 283 ILE N 32 -0.400000 14.0067 0 + 2622 A4 283 ILE H 1 0.250000 1.0080 0 + 2623 A4 283 ILE CA 11 0.100000 13.0190 0 + 2624 A4 283 ILE CB 11 0.000000 13.0190 0 + 2625 A4 283 ILE CG2 13 0.000000 15.0350 0 + 2626 A4 283 ILE CG1 12 0.000000 14.0270 0 + 2627 A4 283 ILE CD1 13 0.000000 15.0350 0 + 2628 A4 283 ILE C 14 0.600000 12.0110 0 + 2629 A4 283 ILE O 40 -0.550000 15.9994 0 + 2630 A4 284 SER N 32 -0.400000 14.0067 0 + 2631 A4 284 SER H 1 0.250000 1.0080 0 + 2632 A4 284 SER CA 11 0.100000 13.0190 0 + 2633 A4 284 SER CB 12 0.250000 14.0270 0 + 2634 A4 284 SER OG 45 -0.650000 15.9994 0 + 2635 A4 284 SER HG 8 0.400000 1.0080 0 + 2636 A4 284 SER C 14 0.600000 12.0110 0 + 2637 A4 284 SER O 40 -0.550000 15.9994 0 + 2638 A4 285 LEU N 32 -0.400000 14.0067 0 + 2639 A4 285 LEU H 1 0.250000 1.0080 0 + 2640 A4 285 LEU CA 11 0.100000 13.0190 0 + 2641 A4 285 LEU CB 12 0.000000 14.0270 0 + 2642 A4 285 LEU CG 11 0.000000 13.0190 0 + 2643 A4 285 LEU CD1 13 0.000000 15.0350 0 + 2644 A4 285 LEU CD2 13 0.000000 15.0350 0 + 2645 A4 285 LEU C 14 0.600000 12.0110 0 + 2646 A4 285 LEU O 40 -0.550000 15.9994 0 + 2647 A4 286 TYR N 32 -0.400000 14.0067 0 + 2648 A4 286 TYR H 1 0.250000 1.0080 0 + 2649 A4 286 TYR CA 11 0.100000 13.0190 0 + 2650 A4 286 TYR CB 12 0.000000 14.0270 0 + 2651 A4 286 TYR CG 22 0.000000 12.0110 0 + 2652 A4 286 TYR CD1 24 0.000000 13.0190 0 + 2653 A4 286 TYR CE1 24 0.000000 13.0190 0 + 2654 A4 286 TYR CD2 24 0.000000 13.0190 0 + 2655 A4 286 TYR CE2 24 0.000000 13.0190 0 + 2656 A4 286 TYR CZ 22 0.250000 12.0110 0 + 2657 A4 286 TYR OH 45 -0.650000 15.9994 0 + 2658 A4 286 TYR HH 8 0.400000 1.0080 0 + 2659 A4 286 TYR C 14 0.600000 12.0110 0 + 2660 A4 286 TYR O 40 -0.550000 15.9994 0 + 2661 A4 287 LEU N 32 -0.400000 14.0067 0 + 2662 A4 287 LEU H 1 0.250000 1.0080 0 + 2663 A4 287 LEU CA 11 0.100000 13.0190 0 + 2664 A4 287 LEU CB 12 0.000000 14.0270 0 + 2665 A4 287 LEU CG 11 0.000000 13.0190 0 + 2666 A4 287 LEU CD1 13 0.000000 15.0350 0 + 2667 A4 287 LEU CD2 13 0.000000 15.0350 0 + 2668 A4 287 LEU C 14 0.600000 12.0110 0 + 2669 A4 287 LEU O 40 -0.550000 15.9994 0 + 2670 A4 288 MET N 32 -0.400000 14.0067 0 + 2671 A4 288 MET H 1 0.250000 1.0080 0 + 2672 A4 288 MET CA 11 0.100000 13.0190 0 + 2673 A4 288 MET CB 12 0.000000 14.0270 0 + 2674 A4 288 MET CG 12 0.060000 14.0270 0 + 2675 A4 288 MET SD 74 -0.120000 32.0600 0 + 2676 A4 288 MET CE 13 0.060000 15.0350 0 + 2677 A4 288 MET C 14 0.600000 12.0110 0 + 2678 A4 288 MET O 40 -0.550000 15.9994 0 + 2679 A4 289 GLY N 32 -0.400000 14.0067 0 + 2680 A4 289 GLY H 1 0.250000 1.0080 0 + 2681 A4 289 GLY CA 12 0.100000 14.0270 0 + 2682 A4 289 GLY C 14 0.600000 12.0110 0 + 2683 A4 289 GLY O 40 -0.550000 15.9994 0 + 2684 A4 290 GLU N 32 -0.400000 14.0067 0 + 2685 A4 290 GLU H 1 0.250000 1.0080 0 + 2686 A4 290 GLU CA 11 0.100000 13.0190 0 + 2687 A4 290 GLU CB 12 0.000000 14.0270 0 + 2688 A4 290 GLU CG 12 0.000000 14.0270 0 + 2689 A4 290 GLU CD 14 0.140000 12.0110 0 + 2690 A4 290 GLU OE1 43 -0.570000 15.9994 0 + 2691 A4 290 GLU OE2 43 -0.570000 15.9994 0 + 2692 A4 290 GLU C 14 0.600000 12.0110 0 + 2693 A4 290 GLU O 40 -0.550000 15.9994 0 + 2694 A4 291 VAL N 32 -0.400000 14.0067 0 + 2695 A4 291 VAL H 1 0.250000 1.0080 0 + 2696 A4 291 VAL CA 11 0.100000 13.0190 0 + 2697 A4 291 VAL CB 11 0.000000 13.0190 0 + 2698 A4 291 VAL CG1 13 0.000000 15.0350 0 + 2699 A4 291 VAL CG2 13 0.000000 15.0350 0 + 2700 A4 291 VAL C 14 0.600000 12.0110 0 + 2701 A4 291 VAL O 40 -0.550000 15.9994 0 + 2702 A4 292 THR N 32 -0.400000 14.0067 0 + 2703 A4 292 THR H 1 0.250000 1.0080 0 + 2704 A4 292 THR CA 11 0.100000 13.0190 0 + 2705 A4 292 THR CB 11 0.250000 13.0190 0 + 2706 A4 292 THR OG1 45 -0.650000 15.9994 0 + 2707 A4 292 THR HG1 8 0.400000 1.0080 0 + 2708 A4 292 THR CG2 13 0.000000 15.0350 0 + 2709 A4 292 THR C 14 0.600000 12.0110 0 + 2710 A4 292 THR O 40 -0.550000 15.9994 0 + 2711 A4 293 ASN N 32 -0.400000 14.0067 0 + 2712 A4 293 ASN H 1 0.250000 1.0080 0 + 2713 A4 293 ASN CA 11 0.100000 13.0190 0 + 2714 A4 293 ASN CB 12 0.000000 14.0270 0 + 2715 A4 293 ASN CG 14 0.550000 12.0110 0 + 2716 A4 293 ASN OD1 40 -0.550000 15.9994 0 + 2717 A4 293 ASN ND2 32 -0.600000 14.0067 0 + 2718 A4 293 ASN HD21 1 0.300000 1.0080 0 + 2719 A4 293 ASN HD22 1 0.300000 1.0080 0 + 2720 A4 293 ASN C 14 0.600000 12.0110 0 + 2721 A4 293 ASN O 40 -0.550000 15.9994 0 + 2722 A4 294 GLN N 32 -0.400000 14.0067 0 + 2723 A4 294 GLN H 1 0.250000 1.0080 0 + 2724 A4 294 GLN CA 11 0.100000 13.0190 0 + 2725 A4 294 GLN CB 12 0.000000 14.0270 0 + 2726 A4 294 GLN CG 12 0.000000 14.0270 0 + 2727 A4 294 GLN CD 14 0.550000 12.0110 0 + 2728 A4 294 GLN OE1 40 -0.550000 15.9994 0 + 2729 A4 294 GLN NE2 32 -0.600000 14.0067 0 + 2730 A4 294 GLN HE21 1 0.300000 1.0080 0 + 2731 A4 294 GLN HE22 1 0.300000 1.0080 0 + 2732 A4 294 GLN C 14 0.600000 12.0110 0 + 2733 A4 294 GLN O 40 -0.550000 15.9994 0 + 2734 A4 295 SER N 32 -0.400000 14.0067 0 + 2735 A4 295 SER H 1 0.250000 1.0080 0 + 2736 A4 295 SER CA 11 0.100000 13.0190 0 + 2737 A4 295 SER CB 12 0.250000 14.0270 0 + 2738 A4 295 SER OG 45 -0.650000 15.9994 0 + 2739 A4 295 SER HG 8 0.400000 1.0080 0 + 2740 A4 295 SER C 14 0.600000 12.0110 0 + 2741 A4 295 SER O 40 -0.550000 15.9994 0 + 2742 A4 296 PHE N 32 -0.400000 14.0067 0 + 2743 A4 296 PHE H 1 0.250000 1.0080 0 + 2744 A4 296 PHE CA 11 0.100000 13.0190 0 + 2745 A4 296 PHE CB 12 0.000000 14.0270 0 + 2746 A4 296 PHE CG 22 0.000000 12.0110 0 + 2747 A4 296 PHE CD1 24 0.000000 13.0190 0 + 2748 A4 296 PHE CD2 24 0.000000 13.0190 0 + 2749 A4 296 PHE CE1 24 0.000000 13.0190 0 + 2750 A4 296 PHE CE2 24 0.000000 13.0190 0 + 2751 A4 296 PHE CZ 24 0.000000 13.0190 0 + 2752 A4 296 PHE C 14 0.600000 12.0110 0 + 2753 A4 296 PHE O 40 -0.550000 15.9994 0 + 2754 A4 297 ARG N 32 -0.400000 14.0067 0 + 2755 A4 297 ARG H 1 0.250000 1.0080 0 + 2756 A4 297 ARG CA 11 0.100000 13.0190 0 + 2757 A4 297 ARG CB 12 0.000000 14.0270 0 + 2758 A4 297 ARG CG 12 0.000000 14.0270 0 + 2759 A4 297 ARG CD 12 0.100000 14.0270 0 + 2760 A4 297 ARG NE 32 -0.400000 14.0067 0 + 2761 A4 297 ARG HE 1 0.300000 1.0080 0 + 2762 A4 297 ARG CZ 14 0.500000 12.0110 0 + 2763 A4 297 ARG NH1 37 -0.450000 14.0067 0 + 2764 A4 297 ARG HH11 2 0.350000 1.0080 0 + 2765 A4 297 ARG HH12 2 0.350000 1.0080 0 + 2766 A4 297 ARG NH2 37 -0.450000 14.0067 0 + 2767 A4 297 ARG HH21 2 0.350000 1.0080 0 + 2768 A4 297 ARG HH22 2 0.350000 1.0080 0 + 2769 A4 297 ARG C 14 0.600000 12.0110 0 + 2770 A4 297 ARG O 40 -0.550000 15.9994 0 + 2771 A4 298 ILE N 32 -0.400000 14.0067 0 + 2772 A4 298 ILE H 1 0.250000 1.0080 0 + 2773 A4 298 ILE CA 11 0.100000 13.0190 0 + 2774 A4 298 ILE CB 11 0.000000 13.0190 0 + 2775 A4 298 ILE CG2 13 0.000000 15.0350 0 + 2776 A4 298 ILE CG1 12 0.000000 14.0270 0 + 2777 A4 298 ILE CD1 13 0.000000 15.0350 0 + 2778 A4 298 ILE C 14 0.600000 12.0110 0 + 2779 A4 298 ILE O 40 -0.550000 15.9994 0 + 2780 A4 299 THR N 32 -0.400000 14.0067 0 + 2781 A4 299 THR H 1 0.250000 1.0080 0 + 2782 A4 299 THR CA 11 0.100000 13.0190 0 + 2783 A4 299 THR CB 11 0.250000 13.0190 0 + 2784 A4 299 THR OG1 45 -0.650000 15.9994 0 + 2785 A4 299 THR HG1 8 0.400000 1.0080 0 + 2786 A4 299 THR CG2 13 0.000000 15.0350 0 + 2787 A4 299 THR C 14 0.600000 12.0110 0 + 2788 A4 299 THR O 40 -0.550000 15.9994 0 + 2789 A4 300 ILE N 32 -0.400000 14.0067 0 + 2790 A4 300 ILE H 1 0.250000 1.0080 0 + 2791 A4 300 ILE CA 11 0.100000 13.0190 0 + 2792 A4 300 ILE CB 11 0.000000 13.0190 0 + 2793 A4 300 ILE CG2 13 0.000000 15.0350 0 + 2794 A4 300 ILE CG1 12 0.000000 14.0270 0 + 2795 A4 300 ILE CD1 13 0.000000 15.0350 0 + 2796 A4 300 ILE C 14 0.600000 12.0110 0 + 2797 A4 300 ILE O 40 -0.550000 15.9994 0 + 2798 A4 301 LEU N 32 -0.400000 14.0067 0 + 2799 A4 301 LEU H 1 0.250000 1.0080 0 + 2800 A4 301 LEU CA 11 0.100000 13.0190 0 + 2801 A4 301 LEU CB 12 0.000000 14.0270 0 + 2802 A4 301 LEU CG 11 0.000000 13.0190 0 + 2803 A4 301 LEU CD1 13 0.000000 15.0350 0 + 2804 A4 301 LEU CD2 13 0.000000 15.0350 0 + 2805 A4 301 LEU C 14 0.600000 12.0110 0 + 2806 A4 301 LEU O 40 -0.550000 15.9994 0 + 2807 A4 302 PRO N 33 -0.250000 14.0067 0 + 2808 A4 302 PRO CD 12 0.100000 14.0270 0 + 2809 A4 302 PRO CA 11 0.100000 13.0190 0 + 2810 A4 302 PRO CB 12 0.000000 14.0270 0 + 2811 A4 302 PRO CG 12 0.000000 14.0270 0 + 2812 A4 302 PRO C 14 0.600000 12.0110 0 + 2813 A4 302 PRO O 40 -0.550000 15.9994 0 + 2814 A4 303 GLN N 32 -0.400000 14.0067 0 + 2815 A4 303 GLN H 1 0.250000 1.0080 0 + 2816 A4 303 GLN CA 11 0.100000 13.0190 0 + 2817 A4 303 GLN CB 12 0.000000 14.0270 0 + 2818 A4 303 GLN CG 12 0.000000 14.0270 0 + 2819 A4 303 GLN CD 14 0.550000 12.0110 0 + 2820 A4 303 GLN OE1 40 -0.550000 15.9994 0 + 2821 A4 303 GLN NE2 32 -0.600000 14.0067 0 + 2822 A4 303 GLN HE21 1 0.300000 1.0080 0 + 2823 A4 303 GLN HE22 1 0.300000 1.0080 0 + 2824 A4 303 GLN C 14 0.600000 12.0110 0 + 2825 A4 303 GLN O 40 -0.550000 15.9994 0 + 2826 A4 304 GLN N 32 -0.400000 14.0067 0 + 2827 A4 304 GLN H 1 0.250000 1.0080 0 + 2828 A4 304 GLN CA 11 0.100000 13.0190 0 + 2829 A4 304 GLN CB 12 0.000000 14.0270 0 + 2830 A4 304 GLN CG 12 0.000000 14.0270 0 + 2831 A4 304 GLN CD 14 0.550000 12.0110 0 + 2832 A4 304 GLN OE1 40 -0.550000 15.9994 0 + 2833 A4 304 GLN NE2 32 -0.600000 14.0067 0 + 2834 A4 304 GLN HE21 1 0.300000 1.0080 0 + 2835 A4 304 GLN HE22 1 0.300000 1.0080 0 + 2836 A4 304 GLN C 14 0.600000 12.0110 0 + 2837 A4 304 GLN O 40 -0.550000 15.9994 0 + 2838 A4 305 TYR N 32 -0.400000 14.0067 0 + 2839 A4 305 TYR H 1 0.250000 1.0080 0 + 2840 A4 305 TYR CA 11 0.100000 13.0190 0 + 2841 A4 305 TYR CB 12 0.000000 14.0270 0 + 2842 A4 305 TYR CG 22 0.000000 12.0110 0 + 2843 A4 305 TYR CD1 24 0.000000 13.0190 0 + 2844 A4 305 TYR CE1 24 0.000000 13.0190 0 + 2845 A4 305 TYR CD2 24 0.000000 13.0190 0 + 2846 A4 305 TYR CE2 24 0.000000 13.0190 0 + 2847 A4 305 TYR CZ 22 0.250000 12.0110 0 + 2848 A4 305 TYR OH 45 -0.650000 15.9994 0 + 2849 A4 305 TYR HH 8 0.400000 1.0080 0 + 2850 A4 305 TYR C 14 0.600000 12.0110 0 + 2851 A4 305 TYR O 40 -0.550000 15.9994 0 + 2852 A4 306 LEU N 32 -0.400000 14.0067 0 + 2853 A4 306 LEU H 1 0.250000 1.0080 0 + 2854 A4 306 LEU CA 11 0.100000 13.0190 0 + 2855 A4 306 LEU CB 12 0.000000 14.0270 0 + 2856 A4 306 LEU CG 11 0.000000 13.0190 0 + 2857 A4 306 LEU CD1 13 0.000000 15.0350 0 + 2858 A4 306 LEU CD2 13 0.000000 15.0350 0 + 2859 A4 306 LEU C 14 0.600000 12.0110 0 + 2860 A4 306 LEU O 40 -0.550000 15.9994 0 + 2861 A4 307 ARG N 32 -0.400000 14.0067 0 + 2862 A4 307 ARG H 1 0.250000 1.0080 0 + 2863 A4 307 ARG CA 11 0.100000 13.0190 0 + 2864 A4 307 ARG CB 12 0.000000 14.0270 0 + 2865 A4 307 ARG CG 12 0.000000 14.0270 0 + 2866 A4 307 ARG CD 12 0.100000 14.0270 0 + 2867 A4 307 ARG NE 32 -0.400000 14.0067 0 + 2868 A4 307 ARG HE 1 0.300000 1.0080 0 + 2869 A4 307 ARG CZ 14 0.500000 12.0110 0 + 2870 A4 307 ARG NH1 37 -0.450000 14.0067 0 + 2871 A4 307 ARG HH11 2 0.350000 1.0080 0 + 2872 A4 307 ARG HH12 2 0.350000 1.0080 0 + 2873 A4 307 ARG NH2 37 -0.450000 14.0067 0 + 2874 A4 307 ARG HH21 2 0.350000 1.0080 0 + 2875 A4 307 ARG HH22 2 0.350000 1.0080 0 + 2876 A4 307 ARG C 14 0.600000 12.0110 0 + 2877 A4 307 ARG O 40 -0.550000 15.9994 0 + 2878 A4 308 PRO N 33 -0.250000 14.0067 0 + 2879 A4 308 PRO CD 12 0.100000 14.0270 0 + 2880 A4 308 PRO CA 11 0.100000 13.0190 0 + 2881 A4 308 PRO CB 12 0.000000 14.0270 0 + 2882 A4 308 PRO CG 12 0.000000 14.0270 0 + 2883 A4 308 PRO C 14 0.600000 12.0110 0 + 2884 A4 308 PRO O 40 -0.550000 15.9994 0 + 2885 A4 309 VAL N 32 -0.400000 14.0067 0 + 2886 A4 309 VAL H 1 0.250000 1.0080 0 + 2887 A4 309 VAL CA 11 0.100000 13.0190 0 + 2888 A4 309 VAL CB 11 0.000000 13.0190 0 + 2889 A4 309 VAL CG1 13 0.000000 15.0350 0 + 2890 A4 309 VAL CG2 13 0.000000 15.0350 0 + 2891 A4 309 VAL C 14 0.600000 12.0110 0 + 2892 A4 309 VAL O 40 -0.550000 15.9994 0 + 2893 A4 310 GLU N 32 -0.400000 14.0067 0 + 2894 A4 310 GLU H 1 0.250000 1.0080 0 + 2895 A4 310 GLU CA 11 0.100000 13.0190 0 + 2896 A4 310 GLU CB 12 0.000000 14.0270 0 + 2897 A4 310 GLU CG 12 0.000000 14.0270 0 + 2898 A4 310 GLU CD 14 0.140000 12.0110 0 + 2899 A4 310 GLU OE1 43 -0.570000 15.9994 0 + 2900 A4 310 GLU OE2 43 -0.570000 15.9994 0 + 2901 A4 310 GLU C 14 0.600000 12.0110 0 + 2902 A4 310 GLU O 40 -0.550000 15.9994 0 + 2903 A4 311 ASP N 32 -0.400000 14.0067 0 + 2904 A4 311 ASP H 1 0.250000 1.0080 0 + 2905 A4 311 ASP CA 11 0.100000 13.0190 0 + 2906 A4 311 ASP CB 12 0.000000 14.0270 0 + 2907 A4 311 ASP CG 14 0.140000 12.0110 0 + 2908 A4 311 ASP OD1 43 -0.570000 15.9994 0 + 2909 A4 311 ASP OD2 43 -0.570000 15.9994 0 + 2910 A4 311 ASP C 14 0.600000 12.0110 0 + 2911 A4 311 ASP O 40 -0.550000 15.9994 0 + 2912 A4 312 VAL N 32 -0.400000 14.0067 0 + 2913 A4 312 VAL H 1 0.250000 1.0080 0 + 2914 A4 312 VAL CA 11 0.100000 13.0190 0 + 2915 A4 312 VAL CB 11 0.000000 13.0190 0 + 2916 A4 312 VAL CG1 13 0.000000 15.0350 0 + 2917 A4 312 VAL CG2 13 0.000000 15.0350 0 + 2918 A4 312 VAL C 14 0.600000 12.0110 0 + 2919 A4 312 VAL O 40 -0.550000 15.9994 0 + 2920 A4 313 ALA N 32 -0.400000 14.0067 0 + 2921 A4 313 ALA H 1 0.250000 1.0080 0 + 2922 A4 313 ALA CA 11 0.100000 13.0190 0 + 2923 A4 313 ALA CB 13 0.000000 15.0350 0 + 2924 A4 313 ALA C 14 0.600000 12.0110 0 + 2925 A4 313 ALA O 40 -0.550000 15.9994 0 + 2926 A4 314 THR N 32 -0.400000 14.0067 0 + 2927 A4 314 THR H 1 0.250000 1.0080 0 + 2928 A4 314 THR CA 11 0.100000 13.0190 0 + 2929 A4 314 THR CB 11 0.250000 13.0190 0 + 2930 A4 314 THR OG1 45 -0.650000 15.9994 0 + 2931 A4 314 THR HG1 8 0.400000 1.0080 0 + 2932 A4 314 THR CG2 13 0.000000 15.0350 0 + 2933 A4 314 THR C 14 0.600000 12.0110 0 + 2934 A4 314 THR O 40 -0.550000 15.9994 0 + 2935 A4 315 SER N 32 -0.400000 14.0067 0 + 2936 A4 315 SER H 1 0.250000 1.0080 0 + 2937 A4 315 SER CA 11 0.100000 13.0190 0 + 2938 A4 315 SER CB 12 0.250000 14.0270 0 + 2939 A4 315 SER OG 45 -0.650000 15.9994 0 + 2940 A4 315 SER HG 8 0.400000 1.0080 0 + 2941 A4 315 SER C 14 0.600000 12.0110 0 + 2942 A4 315 SER O 40 -0.550000 15.9994 0 + 2943 A4 316 GLN N 32 -0.400000 14.0067 0 + 2944 A4 316 GLN H 1 0.250000 1.0080 0 + 2945 A4 316 GLN CA 11 0.100000 13.0190 0 + 2946 A4 316 GLN CB 12 0.000000 14.0270 0 + 2947 A4 316 GLN CG 12 0.000000 14.0270 0 + 2948 A4 316 GLN CD 14 0.550000 12.0110 0 + 2949 A4 316 GLN OE1 40 -0.550000 15.9994 0 + 2950 A4 316 GLN NE2 32 -0.600000 14.0067 0 + 2951 A4 316 GLN HE21 1 0.300000 1.0080 0 + 2952 A4 316 GLN HE22 1 0.300000 1.0080 0 + 2953 A4 316 GLN C 14 0.600000 12.0110 0 + 2954 A4 316 GLN O 40 -0.550000 15.9994 0 + 2955 A4 317 ASP N 32 -0.400000 14.0067 0 + 2956 A4 317 ASP H 1 0.250000 1.0080 0 + 2957 A4 317 ASP CA 11 0.100000 13.0190 0 + 2958 A4 317 ASP CB 12 0.000000 14.0270 0 + 2959 A4 317 ASP CG 14 0.140000 12.0110 0 + 2960 A4 317 ASP OD1 43 -0.570000 15.9994 0 + 2961 A4 317 ASP OD2 43 -0.570000 15.9994 0 + 2962 A4 317 ASP C 14 0.600000 12.0110 0 + 2963 A4 317 ASP O 40 -0.550000 15.9994 0 + 2964 A4 318 ASP N 32 -0.400000 14.0067 0 + 2965 A4 318 ASP H 1 0.250000 1.0080 0 + 2966 A4 318 ASP CA 11 0.100000 13.0190 0 + 2967 A4 318 ASP CB 12 0.000000 14.0270 0 + 2968 A4 318 ASP CG 14 0.140000 12.0110 0 + 2969 A4 318 ASP OD1 43 -0.570000 15.9994 0 + 2970 A4 318 ASP OD2 43 -0.570000 15.9994 0 + 2971 A4 318 ASP C 14 0.600000 12.0110 0 + 2972 A4 318 ASP O 40 -0.550000 15.9994 0 + 2973 A4 319 CYS N 32 -0.400000 14.0067 0 + 2974 A4 319 CYS H 1 0.250000 1.0080 0 + 2975 A4 319 CYS CA 11 0.100000 13.0190 0 + 2976 A4 319 CYS CB 12 0.190000 14.0270 0 + 2977 A4 319 CYS SG 70 -0.190000 32.0600 0 + 2978 A4 319 CYS C 14 0.600000 12.0110 0 + 2979 A4 319 CYS O 40 -0.550000 15.9994 0 + 2980 A4 320 TYR N 32 -0.400000 14.0067 0 + 2981 A4 320 TYR H 1 0.250000 1.0080 0 + 2982 A4 320 TYR CA 11 0.100000 13.0190 0 + 2983 A4 320 TYR CB 12 0.000000 14.0270 0 + 2984 A4 320 TYR CG 22 0.000000 12.0110 0 + 2985 A4 320 TYR CD1 24 0.000000 13.0190 0 + 2986 A4 320 TYR CE1 24 0.000000 13.0190 0 + 2987 A4 320 TYR CD2 24 0.000000 13.0190 0 + 2988 A4 320 TYR CE2 24 0.000000 13.0190 0 + 2989 A4 320 TYR CZ 22 0.250000 12.0110 0 + 2990 A4 320 TYR OH 45 -0.650000 15.9994 0 + 2991 A4 320 TYR HH 8 0.400000 1.0080 0 + 2992 A4 320 TYR C 14 0.600000 12.0110 0 + 2993 A4 320 TYR O 40 -0.550000 15.9994 0 + 2994 A4 321 LYS N 32 -0.400000 14.0067 0 + 2995 A4 321 LYS H 1 0.250000 1.0080 0 + 2996 A4 321 LYS CA 11 0.100000 13.0190 0 + 2997 A4 321 LYS CB 12 0.000000 14.0270 0 + 2998 A4 321 LYS CG 12 0.000000 14.0270 0 + 2999 A4 321 LYS CD 12 0.000000 14.0270 0 + 3000 A4 321 LYS CE 12 0.250000 14.0270 0 + 3001 A4 321 LYS NZ 36 -0.300000 14.0067 0 + 3002 A4 321 LYS HZ1 2 0.350000 1.0080 0 + 3003 A4 321 LYS HZ2 2 0.350000 1.0080 0 + 3004 A4 321 LYS HZ3 2 0.350000 1.0080 0 + 3005 A4 321 LYS C 14 0.600000 12.0110 0 + 3006 A4 321 LYS O 40 -0.550000 15.9994 0 + 3007 A4 322 PHE N 32 -0.400000 14.0067 0 + 3008 A4 322 PHE H 1 0.250000 1.0080 0 + 3009 A4 322 PHE CA 11 0.100000 13.0190 0 + 3010 A4 322 PHE CB 12 0.000000 14.0270 0 + 3011 A4 322 PHE CG 22 0.000000 12.0110 0 + 3012 A4 322 PHE CD1 24 0.000000 13.0190 0 + 3013 A4 322 PHE CD2 24 0.000000 13.0190 0 + 3014 A4 322 PHE CE1 24 0.000000 13.0190 0 + 3015 A4 322 PHE CE2 24 0.000000 13.0190 0 + 3016 A4 322 PHE CZ 24 0.000000 13.0190 0 + 3017 A4 322 PHE C 14 0.600000 12.0110 0 + 3018 A4 322 PHE O 40 -0.550000 15.9994 0 + 3019 A4 323 ALA N 32 -0.400000 14.0067 0 + 3020 A4 323 ALA H 1 0.250000 1.0080 0 + 3021 A4 323 ALA CA 11 0.100000 13.0190 0 + 3022 A4 323 ALA CB 13 0.000000 15.0350 0 + 3023 A4 323 ALA C 14 0.600000 12.0110 0 + 3024 A4 323 ALA O 40 -0.550000 15.9994 0 + 3025 A4 324 ILE N 32 -0.400000 14.0067 0 + 3026 A4 324 ILE H 1 0.250000 1.0080 0 + 3027 A4 324 ILE CA 11 0.100000 13.0190 0 + 3028 A4 324 ILE CB 11 0.000000 13.0190 0 + 3029 A4 324 ILE CG2 13 0.000000 15.0350 0 + 3030 A4 324 ILE CG1 12 0.000000 14.0270 0 + 3031 A4 324 ILE CD1 13 0.000000 15.0350 0 + 3032 A4 324 ILE C 14 0.600000 12.0110 0 + 3033 A4 324 ILE O 40 -0.550000 15.9994 0 + 3034 A4 325 SER N 32 -0.400000 14.0067 0 + 3035 A4 325 SER H 1 0.250000 1.0080 0 + 3036 A4 325 SER CA 11 0.100000 13.0190 0 + 3037 A4 325 SER CB 12 0.250000 14.0270 0 + 3038 A4 325 SER OG 45 -0.650000 15.9994 0 + 3039 A4 325 SER HG 8 0.400000 1.0080 0 + 3040 A4 325 SER C 14 0.600000 12.0110 0 + 3041 A4 325 SER O 40 -0.550000 15.9994 0 + 3042 A4 326 GLN N 32 -0.400000 14.0067 0 + 3043 A4 326 GLN H 1 0.250000 1.0080 0 + 3044 A4 326 GLN CA 11 0.100000 13.0190 0 + 3045 A4 326 GLN CB 12 0.000000 14.0270 0 + 3046 A4 326 GLN CG 12 0.000000 14.0270 0 + 3047 A4 326 GLN CD 14 0.550000 12.0110 0 + 3048 A4 326 GLN OE1 40 -0.550000 15.9994 0 + 3049 A4 326 GLN NE2 32 -0.600000 14.0067 0 + 3050 A4 326 GLN HE21 1 0.300000 1.0080 0 + 3051 A4 326 GLN HE22 1 0.300000 1.0080 0 + 3052 A4 326 GLN C 14 0.600000 12.0110 0 + 3053 A4 326 GLN O 40 -0.550000 15.9994 0 + 3054 A4 327 SER N 32 -0.400000 14.0067 0 + 3055 A4 327 SER H 1 0.250000 1.0080 0 + 3056 A4 327 SER CA 11 0.100000 13.0190 0 + 3057 A4 327 SER CB 12 0.250000 14.0270 0 + 3058 A4 327 SER OG 45 -0.650000 15.9994 0 + 3059 A4 327 SER HG 8 0.400000 1.0080 0 + 3060 A4 327 SER C 14 0.600000 12.0110 0 + 3061 A4 327 SER O 40 -0.550000 15.9994 0 + 3062 A4 328 SER N 32 -0.400000 14.0067 0 + 3063 A4 328 SER H 1 0.250000 1.0080 0 + 3064 A4 328 SER CA 11 0.100000 13.0190 0 + 3065 A4 328 SER CB 12 0.250000 14.0270 0 + 3066 A4 328 SER OG 45 -0.650000 15.9994 0 + 3067 A4 328 SER HG 8 0.400000 1.0080 0 + 3068 A4 328 SER C 14 0.600000 12.0110 0 + 3069 A4 328 SER O 40 -0.550000 15.9994 0 + 3070 A4 329 THR N 32 -0.400000 14.0067 0 + 3071 A4 329 THR H 1 0.250000 1.0080 0 + 3072 A4 329 THR CA 11 0.100000 13.0190 0 + 3073 A4 329 THR CB 11 0.250000 13.0190 0 + 3074 A4 329 THR OG1 45 -0.650000 15.9994 0 + 3075 A4 329 THR HG1 8 0.400000 1.0080 0 + 3076 A4 329 THR CG2 13 0.000000 15.0350 0 + 3077 A4 329 THR C 14 0.600000 12.0110 0 + 3078 A4 329 THR O 40 -0.550000 15.9994 0 + 3079 A4 330 GLY N 32 -0.400000 14.0067 0 + 3080 A4 330 GLY H 1 0.250000 1.0080 0 + 3081 A4 330 GLY CA 12 0.100000 14.0270 0 + 3082 A4 330 GLY C 14 0.600000 12.0110 0 + 3083 A4 330 GLY O 40 -0.550000 15.9994 0 + 3084 A4 331 THR N 32 -0.400000 14.0067 0 + 3085 A4 331 THR H 1 0.250000 1.0080 0 + 3086 A4 331 THR CA 11 0.100000 13.0190 0 + 3087 A4 331 THR CB 11 0.250000 13.0190 0 + 3088 A4 331 THR OG1 45 -0.650000 15.9994 0 + 3089 A4 331 THR HG1 8 0.400000 1.0080 0 + 3090 A4 331 THR CG2 13 0.000000 15.0350 0 + 3091 A4 331 THR C 14 0.600000 12.0110 0 + 3092 A4 331 THR O 40 -0.550000 15.9994 0 + 3093 A4 332 VAL N 32 -0.400000 14.0067 0 + 3094 A4 332 VAL H 1 0.250000 1.0080 0 + 3095 A4 332 VAL CA 11 0.100000 13.0190 0 + 3096 A4 332 VAL CB 11 0.000000 13.0190 0 + 3097 A4 332 VAL CG1 13 0.000000 15.0350 0 + 3098 A4 332 VAL CG2 13 0.000000 15.0350 0 + 3099 A4 332 VAL C 14 0.600000 12.0110 0 + 3100 A4 332 VAL O 40 -0.550000 15.9994 0 + 3101 A4 333 MET N 32 -0.400000 14.0067 0 + 3102 A4 333 MET H 1 0.250000 1.0080 0 + 3103 A4 333 MET CA 11 0.100000 13.0190 0 + 3104 A4 333 MET CB 12 0.000000 14.0270 0 + 3105 A4 333 MET CG 12 0.060000 14.0270 0 + 3106 A4 333 MET SD 74 -0.120000 32.0600 0 + 3107 A4 333 MET CE 13 0.060000 15.0350 0 + 3108 A4 333 MET C 14 0.600000 12.0110 0 + 3109 A4 333 MET O 40 -0.550000 15.9994 0 + 3110 A4 334 GLY N 32 -0.400000 14.0067 0 + 3111 A4 334 GLY H 1 0.250000 1.0080 0 + 3112 A4 334 GLY CA 12 0.100000 14.0270 0 + 3113 A4 334 GLY C 14 0.600000 12.0110 0 + 3114 A4 334 GLY O 40 -0.550000 15.9994 0 + 3115 A4 335 ALA N 32 -0.400000 14.0067 0 + 3116 A4 335 ALA H 1 0.250000 1.0080 0 + 3117 A4 335 ALA CA 11 0.100000 13.0190 0 + 3118 A4 335 ALA CB 13 0.000000 15.0350 0 + 3119 A4 335 ALA C 14 0.600000 12.0110 0 + 3120 A4 335 ALA O 40 -0.550000 15.9994 0 + 3121 A4 336 VAL N 32 -0.400000 14.0067 0 + 3122 A4 336 VAL H 1 0.250000 1.0080 0 + 3123 A4 336 VAL CA 11 0.100000 13.0190 0 + 3124 A4 336 VAL CB 11 0.000000 13.0190 0 + 3125 A4 336 VAL CG1 13 0.000000 15.0350 0 + 3126 A4 336 VAL CG2 13 0.000000 15.0350 0 + 3127 A4 336 VAL C 14 0.600000 12.0110 0 + 3128 A4 336 VAL O 40 -0.550000 15.9994 0 + 3129 A4 337 ILE N 32 -0.400000 14.0067 0 + 3130 A4 337 ILE H 1 0.250000 1.0080 0 + 3131 A4 337 ILE CA 11 0.100000 13.0190 0 + 3132 A4 337 ILE CB 11 0.000000 13.0190 0 + 3133 A4 337 ILE CG2 13 0.000000 15.0350 0 + 3134 A4 337 ILE CG1 12 0.000000 14.0270 0 + 3135 A4 337 ILE CD1 13 0.000000 15.0350 0 + 3136 A4 337 ILE C 14 0.600000 12.0110 0 + 3137 A4 337 ILE O 40 -0.550000 15.9994 0 + 3138 A4 338 MET N 32 -0.400000 14.0067 0 + 3139 A4 338 MET H 1 0.250000 1.0080 0 + 3140 A4 338 MET CA 11 0.100000 13.0190 0 + 3141 A4 338 MET CB 12 0.000000 14.0270 0 + 3142 A4 338 MET CG 12 0.060000 14.0270 0 + 3143 A4 338 MET SD 74 -0.120000 32.0600 0 + 3144 A4 338 MET CE 13 0.060000 15.0350 0 + 3145 A4 338 MET C 14 0.600000 12.0110 0 + 3146 A4 338 MET O 40 -0.550000 15.9994 0 + 3147 A4 339 GLU N 32 -0.400000 14.0067 0 + 3148 A4 339 GLU H 1 0.250000 1.0080 0 + 3149 A4 339 GLU CA 11 0.100000 13.0190 0 + 3150 A4 339 GLU CB 12 0.000000 14.0270 0 + 3151 A4 339 GLU CG 12 0.000000 14.0270 0 + 3152 A4 339 GLU CD 14 0.140000 12.0110 0 + 3153 A4 339 GLU OE1 43 -0.570000 15.9994 0 + 3154 A4 339 GLU OE2 43 -0.570000 15.9994 0 + 3155 A4 339 GLU C 14 0.600000 12.0110 0 + 3156 A4 339 GLU O 40 -0.550000 15.9994 0 + 3157 A4 340 GLY N 32 -0.400000 14.0067 0 + 3158 A4 340 GLY H 1 0.250000 1.0080 0 + 3159 A4 340 GLY CA 12 0.100000 14.0270 0 + 3160 A4 340 GLY C 14 0.600000 12.0110 0 + 3161 A4 340 GLY O 40 -0.550000 15.9994 0 + 3162 A4 341 PHE N 32 -0.400000 14.0067 0 + 3163 A4 341 PHE H 1 0.250000 1.0080 0 + 3164 A4 341 PHE CA 11 0.100000 13.0190 0 + 3165 A4 341 PHE CB 12 0.000000 14.0270 0 + 3166 A4 341 PHE CG 22 0.000000 12.0110 0 + 3167 A4 341 PHE CD1 24 0.000000 13.0190 0 + 3168 A4 341 PHE CD2 24 0.000000 13.0190 0 + 3169 A4 341 PHE CE1 24 0.000000 13.0190 0 + 3170 A4 341 PHE CE2 24 0.000000 13.0190 0 + 3171 A4 341 PHE CZ 24 0.000000 13.0190 0 + 3172 A4 341 PHE C 14 0.600000 12.0110 0 + 3173 A4 341 PHE O 40 -0.550000 15.9994 0 + 3174 A4 342 TYR N 32 -0.400000 14.0067 0 + 3175 A4 342 TYR H 1 0.250000 1.0080 0 + 3176 A4 342 TYR CA 11 0.100000 13.0190 0 + 3177 A4 342 TYR CB 12 0.000000 14.0270 0 + 3178 A4 342 TYR CG 22 0.000000 12.0110 0 + 3179 A4 342 TYR CD1 24 0.000000 13.0190 0 + 3180 A4 342 TYR CE1 24 0.000000 13.0190 0 + 3181 A4 342 TYR CD2 24 0.000000 13.0190 0 + 3182 A4 342 TYR CE2 24 0.000000 13.0190 0 + 3183 A4 342 TYR CZ 22 0.250000 12.0110 0 + 3184 A4 342 TYR OH 45 -0.650000 15.9994 0 + 3185 A4 342 TYR HH 8 0.400000 1.0080 0 + 3186 A4 342 TYR C 14 0.600000 12.0110 0 + 3187 A4 342 TYR O 40 -0.550000 15.9994 0 + 3188 A4 343 VAL N 32 -0.400000 14.0067 0 + 3189 A4 343 VAL H 1 0.250000 1.0080 0 + 3190 A4 343 VAL CA 11 0.100000 13.0190 0 + 3191 A4 343 VAL CB 11 0.000000 13.0190 0 + 3192 A4 343 VAL CG1 13 0.000000 15.0350 0 + 3193 A4 343 VAL CG2 13 0.000000 15.0350 0 + 3194 A4 343 VAL C 14 0.600000 12.0110 0 + 3195 A4 343 VAL O 40 -0.550000 15.9994 0 + 3196 A4 344 VAL N 32 -0.400000 14.0067 0 + 3197 A4 344 VAL H 1 0.250000 1.0080 0 + 3198 A4 344 VAL CA 11 0.100000 13.0190 0 + 3199 A4 344 VAL CB 11 0.000000 13.0190 0 + 3200 A4 344 VAL CG1 13 0.000000 15.0350 0 + 3201 A4 344 VAL CG2 13 0.000000 15.0350 0 + 3202 A4 344 VAL C 14 0.600000 12.0110 0 + 3203 A4 344 VAL O 40 -0.550000 15.9994 0 + 3204 A4 345 PHE N 32 -0.400000 14.0067 0 + 3205 A4 345 PHE H 1 0.250000 1.0080 0 + 3206 A4 345 PHE CA 11 0.100000 13.0190 0 + 3207 A4 345 PHE CB 12 0.000000 14.0270 0 + 3208 A4 345 PHE CG 22 0.000000 12.0110 0 + 3209 A4 345 PHE CD1 24 0.000000 13.0190 0 + 3210 A4 345 PHE CD2 24 0.000000 13.0190 0 + 3211 A4 345 PHE CE1 24 0.000000 13.0190 0 + 3212 A4 345 PHE CE2 24 0.000000 13.0190 0 + 3213 A4 345 PHE CZ 24 0.000000 13.0190 0 + 3214 A4 345 PHE C 14 0.600000 12.0110 0 + 3215 A4 345 PHE O 40 -0.550000 15.9994 0 + 3216 A4 346 ASP N 32 -0.400000 14.0067 0 + 3217 A4 346 ASP H 1 0.250000 1.0080 0 + 3218 A4 346 ASP CA 11 0.100000 13.0190 0 + 3219 A4 346 ASP CB 12 0.000000 14.0270 0 + 3220 A4 346 ASP CG 14 0.140000 12.0110 0 + 3221 A4 346 ASP OD1 43 -0.570000 15.9994 0 + 3222 A4 346 ASP OD2 43 -0.570000 15.9994 0 + 3223 A4 346 ASP C 14 0.600000 12.0110 0 + 3224 A4 346 ASP O 40 -0.550000 15.9994 0 + 3225 A4 347 ARG N 32 -0.400000 14.0067 0 + 3226 A4 347 ARG H 1 0.250000 1.0080 0 + 3227 A4 347 ARG CA 11 0.100000 13.0190 0 + 3228 A4 347 ARG CB 12 0.000000 14.0270 0 + 3229 A4 347 ARG CG 12 0.000000 14.0270 0 + 3230 A4 347 ARG CD 12 0.100000 14.0270 0 + 3231 A4 347 ARG NE 32 -0.400000 14.0067 0 + 3232 A4 347 ARG HE 1 0.300000 1.0080 0 + 3233 A4 347 ARG CZ 14 0.500000 12.0110 0 + 3234 A4 347 ARG NH1 37 -0.450000 14.0067 0 + 3235 A4 347 ARG HH11 2 0.350000 1.0080 0 + 3236 A4 347 ARG HH12 2 0.350000 1.0080 0 + 3237 A4 347 ARG NH2 37 -0.450000 14.0067 0 + 3238 A4 347 ARG HH21 2 0.350000 1.0080 0 + 3239 A4 347 ARG HH22 2 0.350000 1.0080 0 + 3240 A4 347 ARG C 14 0.600000 12.0110 0 + 3241 A4 347 ARG O 40 -0.550000 15.9994 0 + 3242 A4 348 ALA N 32 -0.400000 14.0067 0 + 3243 A4 348 ALA H 1 0.250000 1.0080 0 + 3244 A4 348 ALA CA 11 0.100000 13.0190 0 + 3245 A4 348 ALA CB 13 0.000000 15.0350 0 + 3246 A4 348 ALA C 14 0.600000 12.0110 0 + 3247 A4 348 ALA O 40 -0.550000 15.9994 0 + 3248 A4 349 ARG N 32 -0.400000 14.0067 0 + 3249 A4 349 ARG H 1 0.250000 1.0080 0 + 3250 A4 349 ARG CA 11 0.100000 13.0190 0 + 3251 A4 349 ARG CB 12 0.000000 14.0270 0 + 3252 A4 349 ARG CG 12 0.000000 14.0270 0 + 3253 A4 349 ARG CD 12 0.100000 14.0270 0 + 3254 A4 349 ARG NE 32 -0.400000 14.0067 0 + 3255 A4 349 ARG HE 1 0.300000 1.0080 0 + 3256 A4 349 ARG CZ 14 0.500000 12.0110 0 + 3257 A4 349 ARG NH1 37 -0.450000 14.0067 0 + 3258 A4 349 ARG HH11 2 0.350000 1.0080 0 + 3259 A4 349 ARG HH12 2 0.350000 1.0080 0 + 3260 A4 349 ARG NH2 37 -0.450000 14.0067 0 + 3261 A4 349 ARG HH21 2 0.350000 1.0080 0 + 3262 A4 349 ARG HH22 2 0.350000 1.0080 0 + 3263 A4 349 ARG C 14 0.600000 12.0110 0 + 3264 A4 349 ARG O 40 -0.550000 15.9994 0 + 3265 A4 350 LYS N 32 -0.400000 14.0067 0 + 3266 A4 350 LYS H 1 0.250000 1.0080 0 + 3267 A4 350 LYS CA 11 0.100000 13.0190 0 + 3268 A4 350 LYS CB 12 0.000000 14.0270 0 + 3269 A4 350 LYS CG 12 0.000000 14.0270 0 + 3270 A4 350 LYS CD 12 0.000000 14.0270 0 + 3271 A4 350 LYS CE 12 0.250000 14.0270 0 + 3272 A4 350 LYS NZ 36 -0.300000 14.0067 0 + 3273 A4 350 LYS HZ1 2 0.350000 1.0080 0 + 3274 A4 350 LYS HZ2 2 0.350000 1.0080 0 + 3275 A4 350 LYS HZ3 2 0.350000 1.0080 0 + 3276 A4 350 LYS C 14 0.600000 12.0110 0 + 3277 A4 350 LYS O 40 -0.550000 15.9994 0 + 3278 A4 351 ARG N 32 -0.400000 14.0067 0 + 3279 A4 351 ARG H 1 0.250000 1.0080 0 + 3280 A4 351 ARG CA 11 0.100000 13.0190 0 + 3281 A4 351 ARG CB 12 0.000000 14.0270 0 + 3282 A4 351 ARG CG 12 0.000000 14.0270 0 + 3283 A4 351 ARG CD 12 0.100000 14.0270 0 + 3284 A4 351 ARG NE 32 -0.400000 14.0067 0 + 3285 A4 351 ARG HE 1 0.300000 1.0080 0 + 3286 A4 351 ARG CZ 14 0.500000 12.0110 0 + 3287 A4 351 ARG NH1 37 -0.450000 14.0067 0 + 3288 A4 351 ARG HH11 2 0.350000 1.0080 0 + 3289 A4 351 ARG HH12 2 0.350000 1.0080 0 + 3290 A4 351 ARG NH2 37 -0.450000 14.0067 0 + 3291 A4 351 ARG HH21 2 0.350000 1.0080 0 + 3292 A4 351 ARG HH22 2 0.350000 1.0080 0 + 3293 A4 351 ARG C 14 0.600000 12.0110 0 + 3294 A4 351 ARG O 40 -0.550000 15.9994 0 + 3295 A4 352 ILE N 32 -0.400000 14.0067 0 + 3296 A4 352 ILE H 1 0.250000 1.0080 0 + 3297 A4 352 ILE CA 11 0.100000 13.0190 0 + 3298 A4 352 ILE CB 11 0.000000 13.0190 0 + 3299 A4 352 ILE CG2 13 0.000000 15.0350 0 + 3300 A4 352 ILE CG1 12 0.000000 14.0270 0 + 3301 A4 352 ILE CD1 13 0.000000 15.0350 0 + 3302 A4 352 ILE C 14 0.600000 12.0110 0 + 3303 A4 352 ILE O 40 -0.550000 15.9994 0 + 3304 A4 353 GLY N 32 -0.400000 14.0067 0 + 3305 A4 353 GLY H 1 0.250000 1.0080 0 + 3306 A4 353 GLY CA 12 0.100000 14.0270 0 + 3307 A4 353 GLY C 14 0.600000 12.0110 0 + 3308 A4 353 GLY O 40 -0.550000 15.9994 0 + 3309 A4 354 PHE N 32 -0.400000 14.0067 0 + 3310 A4 354 PHE H 1 0.250000 1.0080 0 + 3311 A4 354 PHE CA 11 0.100000 13.0190 0 + 3312 A4 354 PHE CB 12 0.000000 14.0270 0 + 3313 A4 354 PHE CG 22 0.000000 12.0110 0 + 3314 A4 354 PHE CD1 24 0.000000 13.0190 0 + 3315 A4 354 PHE CD2 24 0.000000 13.0190 0 + 3316 A4 354 PHE CE1 24 0.000000 13.0190 0 + 3317 A4 354 PHE CE2 24 0.000000 13.0190 0 + 3318 A4 354 PHE CZ 24 0.000000 13.0190 0 + 3319 A4 354 PHE C 14 0.600000 12.0110 0 + 3320 A4 354 PHE O 40 -0.550000 15.9994 0 + 3321 A4 355 ALA N 32 -0.400000 14.0067 0 + 3322 A4 355 ALA H 1 0.250000 1.0080 0 + 3323 A4 355 ALA CA 11 0.100000 13.0190 0 + 3324 A4 355 ALA CB 13 0.000000 15.0350 0 + 3325 A4 355 ALA C 14 0.600000 12.0110 0 + 3326 A4 355 ALA O 40 -0.550000 15.9994 0 + 3327 A4 356 VAL N 32 -0.400000 14.0067 0 + 3328 A4 356 VAL H 1 0.250000 1.0080 0 + 3329 A4 356 VAL CA 11 0.100000 13.0190 0 + 3330 A4 356 VAL CB 11 0.000000 13.0190 0 + 3331 A4 356 VAL CG1 13 0.000000 15.0350 0 + 3332 A4 356 VAL CG2 13 0.000000 15.0350 0 + 3333 A4 356 VAL C 14 0.600000 12.0110 0 + 3334 A4 356 VAL O 40 -0.550000 15.9994 0 + 3335 A4 357 SER N 32 -0.400000 14.0067 0 + 3336 A4 357 SER H 1 0.250000 1.0080 0 + 3337 A4 357 SER CA 11 0.100000 13.0190 0 + 3338 A4 357 SER CB 12 0.250000 14.0270 0 + 3339 A4 357 SER OG 45 -0.650000 15.9994 0 + 3340 A4 357 SER HG 8 0.400000 1.0080 0 + 3341 A4 357 SER C 14 0.600000 12.0110 0 + 3342 A4 357 SER O 40 -0.550000 15.9994 0 + 3343 A4 358 ALA N 32 -0.400000 14.0067 0 + 3344 A4 358 ALA H 1 0.250000 1.0080 0 + 3345 A4 358 ALA CA 11 0.100000 13.0190 0 + 3346 A4 358 ALA CB 13 0.000000 15.0350 0 + 3347 A4 358 ALA C 14 0.600000 12.0110 0 + 3348 A4 358 ALA O 40 -0.550000 15.9994 0 + 3349 A4 359 CYS N 32 -0.400000 14.0067 0 + 3350 A4 359 CYS H 1 0.250000 1.0080 0 + 3351 A4 359 CYS CA 11 0.100000 13.0190 0 + 3352 A4 359 CYS CB 12 0.190000 14.0270 0 + 3353 A4 359 CYS SG 70 -0.190000 32.0600 0 + 3354 A4 359 CYS C 14 0.600000 12.0110 0 + 3355 A4 359 CYS O 40 -0.550000 15.9994 0 + 3356 A4 360 HIS N 32 -0.400000 14.0067 0 + 3357 A4 360 HIS H 1 0.250000 1.0080 0 + 3358 A4 360 HIS CA 11 0.100000 13.0190 0 + 3359 A4 360 HIS CB 12 0.000000 14.0270 0 + 3360 A4 360 HIS CG 21 0.100000 12.0110 0 + 3361 A4 360 HIS ND1 34 -0.400000 14.0067 0 + 3362 A4 360 HIS HD1 1 0.300000 1.0080 0 + 3363 A4 360 HIS CD2 23 0.100000 13.0190 0 + 3364 A4 360 HIS NE2 34 -0.400000 14.0067 0 + 3365 A4 360 HIS CE1 23 0.300000 13.0190 0 + 3366 A4 360 HIS C 14 0.600000 12.0110 0 + 3367 A4 360 HIS O 40 -0.550000 15.9994 0 + 3368 A4 361 VAL N 32 -0.400000 14.0067 0 + 3369 A4 361 VAL H 1 0.250000 1.0080 0 + 3370 A4 361 VAL CA 11 0.100000 13.0190 0 + 3371 A4 361 VAL CB 11 0.000000 13.0190 0 + 3372 A4 361 VAL CG1 13 0.000000 15.0350 0 + 3373 A4 361 VAL CG2 13 0.000000 15.0350 0 + 3374 A4 361 VAL C 14 0.600000 12.0110 0 + 3375 A4 361 VAL O 40 -0.550000 15.9994 0 + 3376 A4 362 HIS N 32 -0.400000 14.0067 0 + 3377 A4 362 HIS H 1 0.250000 1.0080 0 + 3378 A4 362 HIS CA 11 0.100000 13.0190 0 + 3379 A4 362 HIS CB 12 0.000000 14.0270 0 + 3380 A4 362 HIS CG 21 0.100000 12.0110 0 + 3381 A4 362 HIS ND1 34 -0.400000 14.0067 0 + 3382 A4 362 HIS HD1 1 0.300000 1.0080 0 + 3383 A4 362 HIS CD2 23 0.100000 13.0190 0 + 3384 A4 362 HIS NE2 34 -0.400000 14.0067 0 + 3385 A4 362 HIS CE1 23 0.300000 13.0190 0 + 3386 A4 362 HIS C 14 0.600000 12.0110 0 + 3387 A4 362 HIS O 40 -0.550000 15.9994 0 + 3388 A4 363 ASP N 32 -0.400000 14.0067 0 + 3389 A4 363 ASP H 1 0.250000 1.0080 0 + 3390 A4 363 ASP CA 11 0.100000 13.0190 0 + 3391 A4 363 ASP CB 12 0.000000 14.0270 0 + 3392 A4 363 ASP CG 14 0.140000 12.0110 0 + 3393 A4 363 ASP OD1 43 -0.570000 15.9994 0 + 3394 A4 363 ASP OD2 43 -0.570000 15.9994 0 + 3395 A4 363 ASP C 14 0.600000 12.0110 0 + 3396 A4 363 ASP O 40 -0.550000 15.9994 0 + 3397 A4 364 GLU N 32 -0.400000 14.0067 0 + 3398 A4 364 GLU H 1 0.250000 1.0080 0 + 3399 A4 364 GLU CA 11 0.100000 13.0190 0 + 3400 A4 364 GLU CB 12 0.000000 14.0270 0 + 3401 A4 364 GLU CG 12 0.000000 14.0270 0 + 3402 A4 364 GLU CD 14 0.140000 12.0110 0 + 3403 A4 364 GLU OE1 43 -0.570000 15.9994 0 + 3404 A4 364 GLU OE2 43 -0.570000 15.9994 0 + 3405 A4 364 GLU C 14 0.600000 12.0110 0 + 3406 A4 364 GLU O 40 -0.550000 15.9994 0 + 3407 A4 365 PHE N 32 -0.400000 14.0067 0 + 3408 A4 365 PHE H 1 0.250000 1.0080 0 + 3409 A4 365 PHE CA 11 0.100000 13.0190 0 + 3410 A4 365 PHE CB 12 0.000000 14.0270 0 + 3411 A4 365 PHE CG 22 0.000000 12.0110 0 + 3412 A4 365 PHE CD1 24 0.000000 13.0190 0 + 3413 A4 365 PHE CD2 24 0.000000 13.0190 0 + 3414 A4 365 PHE CE1 24 0.000000 13.0190 0 + 3415 A4 365 PHE CE2 24 0.000000 13.0190 0 + 3416 A4 365 PHE CZ 24 0.000000 13.0190 0 + 3417 A4 365 PHE C 14 0.600000 12.0110 0 + 3418 A4 365 PHE O 40 -0.550000 15.9994 0 + 3419 A4 366 ARG N 32 -0.400000 14.0067 0 + 3420 A4 366 ARG H 1 0.250000 1.0080 0 + 3421 A4 366 ARG CA 11 0.100000 13.0190 0 + 3422 A4 366 ARG CB 12 0.000000 14.0270 0 + 3423 A4 366 ARG CG 12 0.000000 14.0270 0 + 3424 A4 366 ARG CD 12 0.100000 14.0270 0 + 3425 A4 366 ARG NE 32 -0.400000 14.0067 0 + 3426 A4 366 ARG HE 1 0.300000 1.0080 0 + 3427 A4 366 ARG CZ 14 0.500000 12.0110 0 + 3428 A4 366 ARG NH1 37 -0.450000 14.0067 0 + 3429 A4 366 ARG HH11 2 0.350000 1.0080 0 + 3430 A4 366 ARG HH12 2 0.350000 1.0080 0 + 3431 A4 366 ARG NH2 37 -0.450000 14.0067 0 + 3432 A4 366 ARG HH21 2 0.350000 1.0080 0 + 3433 A4 366 ARG HH22 2 0.350000 1.0080 0 + 3434 A4 366 ARG C 14 0.600000 12.0110 0 + 3435 A4 366 ARG O 40 -0.550000 15.9994 0 + 3436 A4 367 THR N 32 -0.400000 14.0067 0 + 3437 A4 367 THR H 1 0.250000 1.0080 0 + 3438 A4 367 THR CA 11 0.100000 13.0190 0 + 3439 A4 367 THR CB 11 0.250000 13.0190 0 + 3440 A4 367 THR OG1 45 -0.650000 15.9994 0 + 3441 A4 367 THR HG1 8 0.400000 1.0080 0 + 3442 A4 367 THR CG2 13 0.000000 15.0350 0 + 3443 A4 367 THR C 14 0.600000 12.0110 0 + 3444 A4 367 THR O 40 -0.550000 15.9994 0 + 3445 A4 368 ALA N 32 -0.400000 14.0067 0 + 3446 A4 368 ALA H 1 0.250000 1.0080 0 + 3447 A4 368 ALA CA 11 0.100000 13.0190 0 + 3448 A4 368 ALA CB 13 0.000000 15.0350 0 + 3449 A4 368 ALA C 14 0.600000 12.0110 0 + 3450 A4 368 ALA O 40 -0.550000 15.9994 0 + 3451 A4 369 ALA N 32 -0.400000 14.0067 0 + 3452 A4 369 ALA H 1 0.250000 1.0080 0 + 3453 A4 369 ALA CA 11 0.100000 13.0190 0 + 3454 A4 369 ALA CB 13 0.000000 15.0350 0 + 3455 A4 369 ALA C 14 0.600000 12.0110 0 + 3456 A4 369 ALA O 40 -0.550000 15.9994 0 + 3457 A4 370 VAL N 32 -0.400000 14.0067 0 + 3458 A4 370 VAL H 1 0.250000 1.0080 0 + 3459 A4 370 VAL CA 11 0.100000 13.0190 0 + 3460 A4 370 VAL CB 11 0.000000 13.0190 0 + 3461 A4 370 VAL CG1 13 0.000000 15.0350 0 + 3462 A4 370 VAL CG2 13 0.000000 15.0350 0 + 3463 A4 370 VAL C 14 0.600000 12.0110 0 + 3464 A4 370 VAL O 40 -0.550000 15.9994 0 + 3465 A4 371 GLU N 32 -0.400000 14.0067 0 + 3466 A4 371 GLU H 1 0.250000 1.0080 0 + 3467 A4 371 GLU CA 11 0.100000 13.0190 0 + 3468 A4 371 GLU CB 12 0.000000 14.0270 0 + 3469 A4 371 GLU CG 12 0.000000 14.0270 0 + 3470 A4 371 GLU CD 14 0.140000 12.0110 0 + 3471 A4 371 GLU OE1 43 -0.570000 15.9994 0 + 3472 A4 371 GLU OE2 43 -0.570000 15.9994 0 + 3473 A4 371 GLU C 14 0.600000 12.0110 0 + 3474 A4 371 GLU O 40 -0.550000 15.9994 0 + 3475 A4 372 GLY N 32 -0.400000 14.0067 0 + 3476 A4 372 GLY H 1 0.250000 1.0080 0 + 3477 A4 372 GLY CA 12 0.100000 14.0270 0 + 3478 A4 372 GLY C 14 0.600000 12.0110 0 + 3479 A4 372 GLY O 40 -0.550000 15.9994 0 + 3480 A4 373 PRO N 33 -0.250000 14.0067 0 + 3481 A4 373 PRO CD 12 0.100000 14.0270 0 + 3482 A4 373 PRO CA 11 0.100000 13.0190 0 + 3483 A4 373 PRO CB 12 0.000000 14.0270 0 + 3484 A4 373 PRO CG 12 0.000000 14.0270 0 + 3485 A4 373 PRO C 14 0.600000 12.0110 0 + 3486 A4 373 PRO O 40 -0.550000 15.9994 0 + 3487 A4 374 PHE N 32 -0.400000 14.0067 0 + 3488 A4 374 PHE H 1 0.250000 1.0080 0 + 3489 A4 374 PHE CA 11 0.100000 13.0190 0 + 3490 A4 374 PHE CB 12 0.000000 14.0270 0 + 3491 A4 374 PHE CG 22 0.000000 12.0110 0 + 3492 A4 374 PHE CD1 24 0.000000 13.0190 0 + 3493 A4 374 PHE CD2 24 0.000000 13.0190 0 + 3494 A4 374 PHE CE1 24 0.000000 13.0190 0 + 3495 A4 374 PHE CE2 24 0.000000 13.0190 0 + 3496 A4 374 PHE CZ 24 0.000000 13.0190 0 + 3497 A4 374 PHE C 14 0.600000 12.0110 0 + 3498 A4 374 PHE O 40 -0.550000 15.9994 0 + 3499 A4 375 VAL N 32 -0.400000 14.0067 0 + 3500 A4 375 VAL H 1 0.250000 1.0080 0 + 3501 A4 375 VAL CA 11 0.100000 13.0190 0 + 3502 A4 375 VAL CB 11 0.000000 13.0190 0 + 3503 A4 375 VAL CG1 13 0.000000 15.0350 0 + 3504 A4 375 VAL CG2 13 0.000000 15.0350 0 + 3505 A4 375 VAL C 14 0.600000 12.0110 0 + 3506 A4 375 VAL O 40 -0.550000 15.9994 0 + 3507 A4 376 THR N 32 -0.400000 14.0067 0 + 3508 A4 376 THR H 1 0.250000 1.0080 0 + 3509 A4 376 THR CA 11 0.100000 13.0190 0 + 3510 A4 376 THR CB 11 0.250000 13.0190 0 + 3511 A4 376 THR OG1 45 -0.650000 15.9994 0 + 3512 A4 376 THR HG1 8 0.400000 1.0080 0 + 3513 A4 376 THR CG2 13 0.000000 15.0350 0 + 3514 A4 376 THR C 14 0.600000 12.0110 0 + 3515 A4 376 THR O 40 -0.550000 15.9994 0 + 3516 A4 377 LEU N 32 -0.400000 14.0067 0 + 3517 A4 377 LEU H 1 0.250000 1.0080 0 + 3518 A4 377 LEU CA 11 0.100000 13.0190 0 + 3519 A4 377 LEU CB 12 0.000000 14.0270 0 + 3520 A4 377 LEU CG 11 0.000000 13.0190 0 + 3521 A4 377 LEU CD1 13 0.000000 15.0350 0 + 3522 A4 377 LEU CD2 13 0.000000 15.0350 0 + 3523 A4 377 LEU C 14 0.600000 12.0110 0 + 3524 A4 377 LEU O 40 -0.550000 15.9994 0 + 3525 A4 378 ASP N 32 -0.400000 14.0067 0 + 3526 A4 378 ASP H 1 0.250000 1.0080 0 + 3527 A4 378 ASP CA 11 0.100000 13.0190 0 + 3528 A4 378 ASP CB 12 0.000000 14.0270 0 + 3529 A4 378 ASP CG 14 0.140000 12.0110 0 + 3530 A4 378 ASP OD1 43 -0.570000 15.9994 0 + 3531 A4 378 ASP OD2 43 -0.570000 15.9994 0 + 3532 A4 378 ASP C 14 0.600000 12.0110 0 + 3533 A4 378 ASP O 40 -0.550000 15.9994 0 + 3534 A4 379 MET N 32 -0.400000 14.0067 0 + 3535 A4 379 MET H 1 0.250000 1.0080 0 + 3536 A4 379 MET CA 11 0.100000 13.0190 0 + 3537 A4 379 MET CB 12 0.000000 14.0270 0 + 3538 A4 379 MET CG 12 0.060000 14.0270 0 + 3539 A4 379 MET SD 74 -0.120000 32.0600 0 + 3540 A4 379 MET CE 13 0.060000 15.0350 0 + 3541 A4 379 MET C 14 0.600000 12.0110 0 + 3542 A4 379 MET O 40 -0.550000 15.9994 0 + 3543 A4 380 GLU N 32 -0.400000 14.0067 0 + 3544 A4 380 GLU H 1 0.250000 1.0080 0 + 3545 A4 380 GLU CA 11 0.100000 13.0190 0 + 3546 A4 380 GLU CB 12 0.000000 14.0270 0 + 3547 A4 380 GLU CG 12 0.000000 14.0270 0 + 3548 A4 380 GLU CD 14 0.140000 12.0110 0 + 3549 A4 380 GLU OE1 43 -0.570000 15.9994 0 + 3550 A4 380 GLU OE2 43 -0.570000 15.9994 0 + 3551 A4 380 GLU C 14 0.600000 12.0110 0 + 3552 A4 380 GLU O 40 -0.550000 15.9994 0 + 3553 A4 381 ASP N 32 -0.400000 14.0067 0 + 3554 A4 381 ASP H 1 0.250000 1.0080 0 + 3555 A4 381 ASP CA 11 0.100000 13.0190 0 + 3556 A4 381 ASP CB 12 0.000000 14.0270 0 + 3557 A4 381 ASP CG 14 0.140000 12.0110 0 + 3558 A4 381 ASP OD1 43 -0.570000 15.9994 0 + 3559 A4 381 ASP OD2 43 -0.570000 15.9994 0 + 3560 A4 381 ASP C 14 0.600000 12.0110 0 + 3561 A4 381 ASP O 40 -0.550000 15.9994 0 + 3562 A4 382 CYS N 32 -0.400000 14.0067 0 + 3563 A4 382 CYS H 1 0.250000 1.0080 0 + 3564 A4 382 CYS CA 11 0.100000 13.0190 0 + 3565 A4 382 CYS CB 12 0.190000 14.0270 0 + 3566 A4 382 CYS SG 70 -0.190000 32.0600 0 + 3567 A4 382 CYS C 14 0.600000 12.0110 0 + 3568 A4 382 CYS O 40 -0.550000 15.9994 0 + 3569 A4 383 GLY N 32 -0.400000 14.0067 0 + 3570 A4 383 GLY H 1 0.250000 1.0080 0 + 3571 A4 383 GLY CA 12 0.100000 14.0270 0 + 3572 A4 383 GLY C 14 0.600000 12.0110 0 + 3573 A4 383 GLY O 40 -0.550000 15.9994 0 + 3574 A4 384 TYR N 32 -0.400000 14.0067 0 + 3575 A4 384 TYR H 1 0.250000 1.0080 0 + 3576 A4 384 TYR CA 11 0.100000 13.0190 0 + 3577 A4 384 TYR CB 12 0.000000 14.0270 0 + 3578 A4 384 TYR CG 22 0.000000 12.0110 0 + 3579 A4 384 TYR CD1 24 0.000000 13.0190 0 + 3580 A4 384 TYR CE1 24 0.000000 13.0190 0 + 3581 A4 384 TYR CD2 24 0.000000 13.0190 0 + 3582 A4 384 TYR CE2 24 0.000000 13.0190 0 + 3583 A4 384 TYR CZ 22 0.250000 12.0110 0 + 3584 A4 384 TYR OH 45 -0.650000 15.9994 0 + 3585 A4 384 TYR HH 8 0.400000 1.0080 0 + 3586 A4 384 TYR C 14 0.600000 12.0110 0 + 3587 A4 384 TYR O 40 -0.550000 15.9994 0 + 3588 A4 385 ASN N 32 -0.400000 14.0067 0 + 3589 A4 385 ASN H 1 0.250000 1.0080 0 + 3590 A4 385 ASN CA 11 0.100000 13.0190 0 + 3591 A4 385 ASN CB 12 0.000000 14.0270 0 + 3592 A4 385 ASN CG 14 0.550000 12.0110 0 + 3593 A4 385 ASN OD1 40 -0.550000 15.9994 0 + 3594 A4 385 ASN ND2 32 -0.600000 14.0067 0 + 3595 A4 385 ASN HD21 1 0.300000 1.0080 0 + 3596 A4 385 ASN HD22 1 0.300000 1.0080 0 + 3597 A4 385 ASN C 14 0.600000 12.0110 0 + 3598 A4 385 ASN O 40 -0.550000 15.9994 0 + + 3673 !NBOND: bonds + 1 3 1 2 3 9 3 4 + 4 5 5 6 6 7 6 8 + 9 11 9 10 11 13 11 12 + 13 18 13 14 14 15 15 16 + 16 17 18 20 18 19 20 22 + 20 21 22 26 22 23 23 24 + 23 25 26 28 26 27 28 30 + 28 29 30 35 30 31 31 32 + 32 33 32 34 35 37 35 36 + 37 39 37 38 39 46 39 40 + 40 41 41 42 41 43 43 44 + 43 45 46 48 46 47 48 50 + 48 49 50 55 50 51 51 52 + 52 53 52 54 55 57 55 56 + 57 59 57 58 59 72 59 60 + 60 61 61 62 62 63 63 64 + 63 65 65 66 65 69 66 67 + 66 68 69 70 69 71 72 74 + 72 73 74 76 74 75 76 77 + 77 79 77 78 79 81 79 80 + 81 90 81 82 82 83 83 84 + 84 85 85 86 86 87 86 88 + 86 89 90 92 90 91 92 94 + 92 93 94 98 94 95 95 96 + 96 97 98 100 98 99 100 102 + 100 101 102 103 103 105 103 104 + 105 107 105 106 107 115 107 108 + 108 109 109 110 110 111 110 112 + 112 113 112 114 115 117 115 116 + 117 119 117 118 119 120 120 122 + 120 121 122 124 122 123 124 134 + 124 125 125 126 126 127 126 129 + 127 128 128 131 129 130 130 131 + 131 132 132 133 134 136 134 135 + 136 138 136 137 138 148 138 139 + 139 140 140 141 140 143 141 142 + 142 145 143 144 144 145 145 146 + 146 147 148 150 148 149 150 152 + 150 151 152 156 152 153 153 154 + 153 155 156 158 156 157 158 160 + 158 159 160 166 160 161 161 162 + 162 163 163 164 163 165 166 168 + 166 167 168 170 168 169 170 175 + 170 171 171 172 172 173 173 174 + 175 177 175 176 177 179 177 178 + 179 184 179 180 180 181 180 183 + 181 182 184 186 184 185 186 188 + 186 187 188 192 188 189 189 190 + 189 191 192 194 192 193 194 196 + 194 195 196 197 197 199 197 198 + 199 201 199 200 201 205 201 202 + 202 203 203 204 205 207 205 206 + 207 209 207 208 209 212 209 210 + 210 211 211 208 212 214 212 213 + 214 216 214 215 216 219 216 217 + 217 218 218 215 219 221 219 220 + 221 223 221 222 223 231 223 224 + 224 225 225 226 226 227 226 228 + 228 229 228 230 231 233 231 232 + 233 235 233 234 235 240 235 236 + 236 237 236 239 237 238 240 242 + 240 241 242 244 242 243 244 249 + 244 245 245 246 246 247 246 248 + 249 251 249 250 251 253 251 252 + 253 260 253 254 254 255 255 256 + 255 257 257 258 257 259 260 262 + 260 261 262 264 262 263 264 269 + 264 265 265 267 265 266 267 268 + 269 271 269 270 271 273 271 272 + 273 278 273 274 274 275 275 276 + 275 277 278 280 278 279 280 282 + 280 281 282 286 282 283 283 284 + 283 285 286 288 286 287 288 290 + 288 289 290 295 290 291 291 292 + 292 293 292 294 295 297 295 296 + 297 299 297 298 299 304 299 300 + 300 301 300 303 301 302 304 306 + 304 305 306 308 306 307 308 309 + 309 311 309 310 311 313 311 312 + 313 317 313 314 314 315 315 316 + 317 319 317 318 319 321 319 320 + 321 325 321 322 322 323 323 324 + 325 327 325 326 327 329 327 328 + 329 336 329 330 330 331 331 332 + 331 333 333 334 333 335 336 338 + 336 337 338 340 338 339 340 348 + 340 341 341 342 342 343 342 344 + 343 345 344 346 345 347 346 347 + 348 350 348 349 350 352 350 351 + 352 354 352 353 354 356 354 355 + 356 358 356 357 358 362 358 359 + 359 360 359 361 362 364 362 363 + 364 366 364 365 366 367 367 369 + 367 368 369 371 369 370 371 373 + 371 372 373 375 373 374 375 377 + 375 376 377 379 377 378 379 381 + 379 380 381 383 381 382 383 386 + 383 384 384 385 385 382 386 388 + 386 387 388 390 388 389 390 398 + 390 391 391 392 392 393 392 395 + 393 394 393 397 395 396 397 396 + 398 400 398 399 400 402 400 401 + 402 406 402 403 403 404 404 405 + 406 407 408 410 408 409 410 413 + 410 411 411 412 412 409 413 415 + 413 414 415 417 415 416 417 425 + 417 418 418 419 419 420 419 421 + 420 422 421 423 422 424 423 424 + 425 426 427 429 427 428 429 437 + 429 430 430 431 431 432 431 433 + 432 434 433 435 434 436 435 436 + 437 439 437 438 439 441 439 440 + 441 445 441 442 442 443 442 444 + 445 446 447 449 447 448 449 454 + 449 450 450 451 451 452 451 453 + 454 456 454 455 456 458 456 457 + 458 466 458 459 459 460 460 461 + 460 463 461 462 461 465 463 464 + 465 464 466 468 466 467 468 470 + 468 469 470 483 470 471 471 472 + 472 473 473 474 474 475 474 476 + 476 477 476 480 477 478 477 479 + 480 481 480 482 483 485 483 484 + 485 487 485 486 487 497 487 488 + 488 489 489 490 489 492 490 491 + 491 494 492 493 493 494 494 495 + 495 496 497 499 497 498 499 501 + 499 500 501 511 501 502 502 503 + 503 504 503 506 504 505 505 508 + 506 507 507 508 508 509 509 510 + 511 513 511 512 513 515 513 514 + 515 523 515 516 516 517 517 518 + 518 519 518 520 520 521 520 522 + 523 525 523 524 525 527 525 526 + 527 540 527 528 528 529 529 530 + 530 531 531 532 531 533 533 534 + 533 537 534 535 534 536 537 538 + 537 539 540 542 540 541 542 544 + 542 543 544 552 544 545 545 546 + 546 547 547 548 547 549 549 550 + 549 551 552 554 552 553 554 556 + 554 555 556 561 556 557 557 558 + 558 559 558 560 561 563 561 562 + 563 565 563 564 565 569 565 566 + 566 567 567 568 569 571 569 570 + 571 573 571 572 573 577 573 574 + 574 575 575 576 577 579 577 578 + 579 581 579 580 581 586 581 582 + 582 583 582 585 583 584 586 588 + 586 587 588 590 588 589 590 600 + 590 591 591 592 592 593 592 595 + 593 594 594 597 595 596 596 597 + 597 598 598 599 600 602 600 601 + 602 604 602 603 604 617 604 605 + 605 606 606 607 607 608 608 609 + 608 610 610 611 610 614 611 612 + 611 613 614 615 614 616 617 619 + 617 618 619 621 619 620 621 626 + 621 622 622 623 623 624 623 625 + 626 628 626 627 628 630 628 629 + 630 635 630 631 631 632 632 633 + 632 634 635 637 635 636 637 639 + 637 638 639 652 639 640 640 641 + 641 642 642 643 643 644 643 645 + 645 646 645 649 646 647 646 648 + 649 650 649 651 652 654 652 653 + 654 656 654 655 656 665 656 657 + 657 658 658 659 659 660 660 661 + 661 662 661 663 661 664 665 667 + 665 666 667 669 667 668 669 670 + 670 672 670 671 672 674 672 673 + 674 678 674 675 675 676 675 677 + 678 680 678 679 680 682 680 681 + 682 692 682 683 683 684 684 685 + 684 687 685 686 686 689 687 688 + 688 689 689 690 690 691 692 694 + 692 693 694 696 694 695 696 700 + 696 697 697 698 697 699 700 702 + 700 701 702 704 702 703 704 707 + 704 705 705 706 706 703 707 709 + 707 708 709 711 709 710 711 721 + 711 712 712 713 713 714 713 716 + 714 715 715 718 716 717 717 718 + 718 719 719 720 721 723 721 722 + 723 725 723 724 725 730 725 726 + 726 727 726 729 727 728 730 732 + 730 731 732 734 732 733 734 742 + 734 735 735 736 736 737 737 738 + 737 739 739 740 739 741 742 744 + 742 743 744 746 744 745 746 747 + 747 749 747 748 749 751 749 750 + 751 760 751 752 752 753 753 754 + 754 755 755 756 756 757 756 758 + 756 759 760 762 760 761 762 764 + 762 763 764 776 764 765 765 766 + 766 770 766 767 767 768 767 769 + 768 773 769 774 770 771 771 772 + 771 768 773 775 774 775 776 778 + 776 777 778 780 778 779 780 786 + 780 781 781 782 782 783 783 784 + 783 785 786 788 786 787 788 790 + 788 789 790 791 791 793 791 792 + 793 795 793 794 795 801 795 796 + 796 797 797 798 798 799 798 800 + 801 803 801 802 803 805 803 804 + 805 810 805 806 806 807 807 808 + 807 809 810 812 810 811 812 814 + 812 813 814 815 815 817 815 816 + 817 819 817 818 819 824 819 820 + 820 821 820 823 821 822 824 826 + 824 825 826 828 826 827 828 833 + 828 829 829 830 830 831 830 832 + 833 835 833 834 835 837 835 836 + 837 842 837 838 838 839 839 840 + 839 841 842 844 842 843 844 846 + 844 845 846 850 846 847 847 848 + 847 849 850 852 850 851 852 854 + 852 853 854 858 854 855 855 856 + 856 857 858 860 858 859 860 862 + 860 861 862 867 862 863 863 865 + 863 864 865 866 867 869 867 868 + 869 871 869 870 871 874 871 872 + 872 873 873 870 874 876 874 875 + 876 878 876 877 878 886 878 879 + 879 880 880 881 880 883 881 882 + 881 885 883 884 885 884 886 888 + 886 887 888 890 888 889 890 891 + 891 893 891 892 893 895 893 894 + 895 898 895 896 896 897 897 894 + 898 900 898 899 900 902 900 901 + 902 909 902 903 903 904 904 905 + 904 906 906 907 906 908 909 911 + 909 910 911 913 911 912 913 917 + 913 914 914 915 914 916 917 919 + 917 918 919 921 919 920 921 926 + 921 922 922 923 922 925 923 924 + 926 928 926 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a/test/data/BACE_4_rec_2models.pdb b/test/data/BACE_4_rec_2models.pdb new file mode 100644 index 0000000..b12162c --- /dev/null +++ b/test/data/BACE_4_rec_2models.pdb @@ -0,0 +1,7202 @@ +MODEL 1 +REMARK original generated coordinate pdb file +ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N +ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H +ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C +ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C +ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C +ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C +ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O +ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O +ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C +ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O +ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N +ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H +ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C +ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C +ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C +ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S +ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C +ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C +ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O +ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N +ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H +ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C +ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C +ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C +ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C +ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C +ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O +ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N +ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H +ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C +ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C +ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C +ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O +ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O +ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C +ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O +ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N +ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H +ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C +ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C +ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C +ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O +ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N +ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H +ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H +ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C +ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O +ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N +ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H +ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C +ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C +ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C +ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C +ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C +ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C +ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O +ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N +ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H +ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C +ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C +ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C +ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C +ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N +ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H +ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C +ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N +ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H +ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H +ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N +ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H +ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H +ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C +ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O +ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N +ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H +ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C +ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C +ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O +ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N +ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H +ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C +ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C +ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C +ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C +ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C +ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N +ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H +ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H +ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H +ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C +ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O +ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N +ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H +ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C +ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C +ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O +ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H +ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C +ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O +ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N +ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H +ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C +ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C +ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O +ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N +ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H +ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C +ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C +ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C +ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C +ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O +ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N +ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H +ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H +ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C +ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O +ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N +ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H +ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C +ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C +ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O +ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N +ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H +ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C +ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C +ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C +ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C +ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C +ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C +ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C +ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C +ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O +ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H +ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C +ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O +ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N +ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H +ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C +ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C +ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C +ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C +ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C +ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C +ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C +ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C +ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O +ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H +ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C +ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O +ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N +ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H +ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C +ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C +ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C +ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C +ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C +ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O +ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N +ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H +ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C +ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C +ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C +ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C +ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O +ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O +ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C +ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O +ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N +ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H +ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C +ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C +ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C +ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S +ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C +ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C +ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O +ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N +ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H +ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C +ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C +ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O +ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H +ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C +ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C +ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O +ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N +ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H +ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C +ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C +ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C +ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C +ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C +ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O +ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N +ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H +ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C +ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C +ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O +ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N +ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H +ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C +ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C +ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O +ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H +ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C +ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O +ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N +ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C +ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C +ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C +ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C +ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C +ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O +ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N +ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C +ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C +ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C +ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C +ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C +ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O +ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N +ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H +ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C +ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C +ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C +ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C +ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O +ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N +ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H +ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H +ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C +ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O +ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N +ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H +ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C +ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C +ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O +ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H +ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C +ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C +ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O +ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N +ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H +ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C +ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C +ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C +ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C +ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C +ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C +ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O +ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N +ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H +ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C +ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C +ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C +ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O +ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N +ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H +ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H +ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C +ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O +ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N +ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H +ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C +ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C +ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C +ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C +ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C +ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C +ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O +ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N +ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H +ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C +ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C +ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C +ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C +ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C +ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C +ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O +ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N +ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H +ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C +ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C +ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C +ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C +ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C +ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O +ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N +ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H +ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C +ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C +ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C +ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O +ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O +ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C +ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O +ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N +ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H +ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C +ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C +ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O +ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H +ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C +ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C +ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O +ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N +ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H +ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C +ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C +ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O +ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N +ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H +ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C +ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C +ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O +ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H +ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C +ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O +ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N +ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H +ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C +ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C +ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O +ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H +ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C +ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O +ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N +ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H +ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C +ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C +ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C +ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O +ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N +ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H +ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H +ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C +ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O +ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N +ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H +ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C +ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C +ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C +ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C +ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C +ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C +ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C +ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C +ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C +ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O +ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N +ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H +ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C +ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C +ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C +ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O +ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N +ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H +ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C +ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C +ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C +ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C +ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C +ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O +ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N +ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H +ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C +ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C +ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O +ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N +ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H +ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C +ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C +ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C +ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O +ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N +ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H +ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C +ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C +ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C +ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O +ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N +ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C +ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C +ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C +ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C +ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C +ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O +ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N +ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H +ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C +ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C +ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C +ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N +ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H +ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C +ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N +ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C +ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C +ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O +ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N +ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H +ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C +ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C +ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O +ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H +ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C +ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O +ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N +ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C +ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C +ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C +ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C +ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C +ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O +ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N +ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H +ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C +ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C +ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C +ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C +ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C +ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C +ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C +ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C +ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C +ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O +ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N +ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H +ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C +ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C +ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C +ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C +ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C +ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C +ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C +ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C +ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C +ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O +ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N +ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H +ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C +ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C +ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C +ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C +ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C +ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O +ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N +ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H +ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C +ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C +ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C +ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C +ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C +ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C +ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O +ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N +ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H +ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C +ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C +ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C +ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N +ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H +ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C +ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N +ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C +ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C +ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O +ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N +ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H +ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C +ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C +ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C +ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C +ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N +ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H +ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C +ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N +ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H +ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H +ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N +ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H +ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H +ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C +ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O +ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N +ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H +ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C +ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C +ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C +ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C +ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C +ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C +ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C +ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C +ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O +ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H +ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C +ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O +ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N +ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H +ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C +ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C +ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C +ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C +ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C +ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C +ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C +ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C +ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O +ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H +ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C +ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O +ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N +ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H +ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C +ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C +ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C +ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C +ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O +ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N +ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H +ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H +ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C +ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O +ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N +ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H +ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C +ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C +ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C +ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C +ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N +ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H +ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C +ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N +ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H +ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H +ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N +ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H +ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H +ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C +ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O +ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N +ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H +ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C +ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C +ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C +ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C +ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O +ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N +ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H +ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H +ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C +ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O +ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N +ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H +ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C +ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C +ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C +ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C +ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C +ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C +ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O +ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N +ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H +ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C +ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C +ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O +ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H +ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C +ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O +ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N +ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H +ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C +ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C +ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O +ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H +ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C +ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O +ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N +ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H +ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C +ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C +ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O +ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H +ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C +ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C +ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O +ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N +ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H +ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C +ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C +ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C +ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C +ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C +ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C +ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C +ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C +ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O +ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H +ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C +ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O +ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N +ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H +ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C +ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C +ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C +ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C +ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N +ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H +ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C +ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N +ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H +ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H +ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N +ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H +ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H +ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C +ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O +ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N +ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H +ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C +ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C +ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C +ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O +ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O +ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C +ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O +ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N +ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H +ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C +ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C +ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C +ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C +ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C +ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C +ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O +ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N +ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H +ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C +ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C +ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C +ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C +ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N +ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H +ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C +ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N +ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H +ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H +ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N +ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H +ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H +ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C +ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O +ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N +ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H +ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C +ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C +ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C +ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C +ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C +ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N +ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H +ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H +ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H +ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C +ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O +ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N +ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H +ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C +ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C +ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O +ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N +ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H +ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C +ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C +ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C +ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C +ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C +ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O +ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N +ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H +ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C +ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C +ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C +ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C +ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C +ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C +ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C +ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C +ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O +ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H +ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C +ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O +ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N +ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H +ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C +ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C +ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C +ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C +ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C +ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O +ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N +ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C +ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C +ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C +ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C +ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C +ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O +ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N +ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H +ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C +ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C +ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C +ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C +ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C +ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C +ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C +ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C +ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O +ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H +ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C +ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O +ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N +ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H +ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C +ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C +ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O +ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H +ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C +ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C +ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O +ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N +ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H +ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C +ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C +ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C +ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C +ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O +ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N +ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H +ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H +ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C +ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O +ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N +ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H +ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C +ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C +ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O +ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N +ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H +ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C +ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C +ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C +ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C +ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C +ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N +ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H +ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H +ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H +ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C +ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O +ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N +ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H +ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C +ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C +ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C +ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C +ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C +ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C +ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C +ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N +ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H +ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C +ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C +ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C +ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C +ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O +ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N +ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H +ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C +ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C +ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C +ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C +ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O +ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O +ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C +ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O +ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N +ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H +ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C +ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C +ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O +ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N +ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H +ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C +ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C +ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C +ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C +ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O +ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O +ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C +ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O +ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N +ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H +ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C +ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C +ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C +ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C +ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C +ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C +ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O +ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N +ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H +ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C +ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C +ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O +ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N +ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H +ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C +ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C +ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O +ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H +ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C +ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C +ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O +ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N +ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H +ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C +ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C +ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C +ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O +ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O +ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C +ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O +ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N +ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H +ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C +ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C +ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C +ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C +ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C +ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C +ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O +ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N +ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H +ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C +ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C +ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C +ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C +ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C +ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O +ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N +ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H +ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C +ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C +ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O +ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H +ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C +ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O +ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N +ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H +ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C +ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C +ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C +ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C +ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C +ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C +ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O +ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N +ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C +ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C +ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C +ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C +ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C +ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O +ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N +ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H +ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C +ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C +ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C +ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N +ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H +ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C +ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N +ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C +ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C +ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O +ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N +ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H +ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C +ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C +ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O +ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N +ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C +ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C +ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C +ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C +ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C +ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O +ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N +ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H +ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C +ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C +ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C +ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O +ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N +ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H +ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H +ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C +ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O +ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N +ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H +ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C +ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C +ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C +ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C +ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C +ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O +ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N +ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H +ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C +ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C +ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O +ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H +ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C +ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C +ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O +ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N +ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H +ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C +ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C +ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C +ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C +ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C +ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O +ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N +ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H +ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C +ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C +ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C +ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C +ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N +ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H +ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C +ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N +ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H +ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H +ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N +ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H +ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H +ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C +ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O +ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N +ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H +ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C +ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C +ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C +ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O +ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N +ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H +ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C +ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C +ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C +ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O +ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N +ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H +ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H +ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C +ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O +ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N +ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H +ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C +ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C +ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C +ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C +ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C +ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C +ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O +ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N +ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H +ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C +ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C +ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C +ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O +ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N +ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H +ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C +ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C +ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C +ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O +ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N +ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H +ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C +ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C +ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C +ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C +ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C +ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C +ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O +ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N +ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H +ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C +ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C +ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O +ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H +ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C +ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C +ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O +ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N +ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H +ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C +ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C +ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C +ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C +ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O +ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O +ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C +ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O +ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N +ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H +ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C +ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C +ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O +ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H +ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C +ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O +ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N +ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H +ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C +ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C +ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C +ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O +ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O +ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C +ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O +ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N +ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H +ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C +ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C +ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C +ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C +ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C +ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N +ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H +ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H +ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H +ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C +ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O +ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N +ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H +ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C +ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C +ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C +ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C +ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C +ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C +ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C +ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C +ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C +ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O +ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N +ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H +ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C +ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C +ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C +ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C +ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C +ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C +ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C +ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C +ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C +ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O +ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N +ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H +ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C +ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C +ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C +ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C +ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C +ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C +ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O +ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N +ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H +ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C +ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C +ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C +ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O +ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N +ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H +ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H +ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C +ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O +ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N +ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H +ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C +ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C +ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O +ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N +ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H +ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C +ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C +ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O +ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H +ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C +ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O +ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N +ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H +ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C +ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C +ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C +ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O +ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N +ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H +ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H +ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C +ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O +ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N +ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H +ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C +ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C +ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C +ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C +ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C +ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C +ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C +ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N +ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H +ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C +ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C +ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C +ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C +ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O +ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N +ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H +ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C +ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C +ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C +ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C +ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O +ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O +ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C +ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O +ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N +ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H +ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C +ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C +ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O +ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N +ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H +ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C +ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C +ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C +ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C +ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C +ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C +ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O +ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N +ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H +ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C +ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C +ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C +ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C +ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C +ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C +ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O +ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N +ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H +ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C +ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C +ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O +ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N +ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H +ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C +ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C +ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C +ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C +ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C +ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C +ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O +ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N +ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H +ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C +ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C +ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C +ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O +ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N +ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H +ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C +ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C +ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C +ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C +ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C +ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C +ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C +ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C +ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O +ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H +ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C +ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O +ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N +ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H +ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C +ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C +ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C +ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O +ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N +ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H +ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C +ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C +ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C +ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C +ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O +ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O +ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C +ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O +ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N +ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H +ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C +ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C +ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C +ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C +ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C +ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C +ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O +ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N +ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H +ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C +ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C +ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C +ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O +ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N +ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H +ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C +ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C +ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C +ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C +ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N +ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H +ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C +ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N +ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H +ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H +ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N +ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H +ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H +ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C +ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O +ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N +ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C +ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C +ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C +ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C +ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C +ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O +ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N +ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H +ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C +ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C +ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C +ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O +ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O +ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C +ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O +ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N +ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H +ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C +ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C +ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C +ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O +ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O +ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C +ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O +ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N +ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H +ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C +ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C +ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O +ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H +ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C +ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O +ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N +ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H +ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C +ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C +ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C +ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C +ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C +ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C +ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O +ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N +ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H +ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C +ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C +ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C +ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C +ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O +ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O +ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C +ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O +ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N +ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C +ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C +ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C +ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C +ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C +ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O +ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N +ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H +ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C +ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C +ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C +ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C +ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C +ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C +ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C +ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C +ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C +ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O +ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N +ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H +ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C +ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C +ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C +ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C +ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C +ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C +ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C +ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C +ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C +ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O +ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N +ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H +ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C +ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C +ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C +ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O +ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O +ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C +ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O +ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N +ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H +ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C +ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C +ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O +ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H +ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C +ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O +ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N +ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H +ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C +ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C +ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C +ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C +ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C +ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C +ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O +ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N +ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H +ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C +ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C +ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C +ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C +ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C +ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O +ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N +ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H +ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C +ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C +ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C +ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C +ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C +ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N +ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H +ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H +ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H +ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C +ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O +ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N +ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H +ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C +ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C +ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C +ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C +ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O +ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N +ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H +ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H +ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C +ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O +ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N +ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H +ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C +ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C +ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O +ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H +ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C +ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C +ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O +ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N +ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H +ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C +ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C +ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C +ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N +ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H +ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C +ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N +ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C +ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C +ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O +ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N +ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H +ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C +ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C +ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C +ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C +ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C +ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O +ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N +ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C +ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C +ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C +ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C +ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C +ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O +ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N +ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H +ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C +ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C +ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C +ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O +ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N +ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H +ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H +ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C +ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O +ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N +ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H +ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C +ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C +ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C +ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C +ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C +ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C +ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O +ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N +ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H +ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C +ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C +ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C +ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C +ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C +ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C +ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C +ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C +ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C +ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O +ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N +ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H +ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C +ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C +ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O +ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H +ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C +ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O +ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N +ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H +ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C +ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C +ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C +ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C +ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C +ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C +ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O +ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N +ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H +ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C +ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C +ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C +ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C +ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O +ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N +ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H +ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H +ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C +ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O +ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N +ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H +ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C +ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C +ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C +ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C +ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C +ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C +ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O +ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N +ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H +ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C +ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C +ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S +ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C +ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O +ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N +ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H +ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C +ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C +ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O +ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N +ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H +ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C +ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C +ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C +ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O +ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N +ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H +ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C +ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C +ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O +ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H +ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C +ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O +ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N +ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H +ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C +ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C +ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C +ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C +ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C +ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O +ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N +ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H +ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C +ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C +ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O +ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N +ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H +ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C +ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C +ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O +ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N +ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H +ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C +ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C +ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O +ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H +ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C +ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O +ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N +ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H +ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C +ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C +ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C +ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S +ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C +ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C +ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O +ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N +ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H +ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C +ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C +ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C +ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C +ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C +ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C +ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O +ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N +ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H +ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C +ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C +ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C +ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C +ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C +ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C +ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O +ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N +ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H +ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C +ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C +ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O +ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N +ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H +ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C +ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C +ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O +ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N +ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H +ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C +ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C +ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C +ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C +ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C +ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C +ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O +ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N +ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H +ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C +ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C +ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C +ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O +ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O +ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C +ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O +ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N +ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H +ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C +ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C +ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C +ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N +ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H +ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C +ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N +ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C +ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C +ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O +ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N +ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H +ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C +ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C +ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O +ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H +ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C +ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O +ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N +ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H +ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C +ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C +ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C +ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C +ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C +ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C +ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O +ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N +ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H +ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C +ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C +ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C +ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C +ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C +ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C +ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C +ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C +ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O +ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H +ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C +ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O +ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N +ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H +ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C +ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C +ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O +ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H +ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C +ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C +ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O +ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N +ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H +ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C +ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C +ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O +ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N +ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H +ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C +ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C +ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O +ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H +ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C +ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O +ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N +ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H +ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C +ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C +ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C +ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C +ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C +ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C +ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O +ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N +ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H +ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C +ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C +ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C +ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C +ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C +ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C +ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C +ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N +ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H +ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C +ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C +ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C +ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C +ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O +ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N +ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H +ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C +ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C +ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C +ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C +ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C +ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C +ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C +ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C +ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O +ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H +ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C +ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O +ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N +ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H +ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C +ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C +ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O +ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H +ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C +ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C +ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O +ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N +ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C +ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C +ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C +ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C +ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C +ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O +ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N +ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H +ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C +ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C +ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C +ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C +ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C +ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C +ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O +ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N +ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H +ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C +ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C +ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C +ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C +ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N +ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H +ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C +ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N +ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H +ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H +ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N +ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H +ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H +ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C +ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O +ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N +ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H +ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C +ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C +ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C +ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C +ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N +ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H +ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C +ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N +ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H +ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H +ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N +ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H +ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H +ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C +ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O +ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N +ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H +ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C +ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C +ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C +ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C +ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O +ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O +ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C +ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O +ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N +ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H +ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C +ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C +ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C +ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C +ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C +ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C +ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C +ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N +ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H +ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C +ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C +ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C +ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C +ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O +ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N +ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H +ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C +ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C +ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C +ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C +ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C +ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C +ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C +ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C +ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O +ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H +ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C +ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O +ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N +ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H +ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C +ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C +ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C +ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C +ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C +ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C +ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C +ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C +ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O +ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H +ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C +ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O +ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N +ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H +ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C +ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C +ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C +ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C +ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O +ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O +ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C +ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O +ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N +ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H +ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C +ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C +ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C +ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C +ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C +ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O +ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N +ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H +ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C +ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C +ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C +ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C +ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C +ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C +ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O +ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N +ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H +ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C +ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C +ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C +ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C +ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C +ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C +ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O +ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N +ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H +ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C +ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C +ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C +ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C +ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C +ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O +ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N +ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H +ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C +ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C +ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C +ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C +ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N +ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H +ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C +ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N +ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H +ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H +ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N +ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H +ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H +ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C +ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O +ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N +ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H +ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C +ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C +ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C +ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C +ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C +ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O +ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N +ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H +ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C +ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C +ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C +ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C +ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O +ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O +ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C +ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O +ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N +ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H +ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C +ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C +ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C +ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C +ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C +ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C +ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O +ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N +ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H +ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C +ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C +ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C +ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O +ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N +ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H +ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H +ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C +ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O +ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N +ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H +ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C +ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C +ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O +ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N +ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H +ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C +ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C +ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C +ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C +ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O +ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N +ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H +ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H +ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C +ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O +ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N +ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H +ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C +ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C +ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C +ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O +ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O +ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C +ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O +ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N +ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H +ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C +ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C +ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C +ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C +ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C +ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C +ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O +ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N +ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H +ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C +ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C +ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C +ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C +ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C +ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N +ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H +ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H +ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H +ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C +ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O +ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N +ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H +ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C +ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C +ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C +ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S +ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C +ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C +ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O +ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N +ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H +ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C +ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C +ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C +ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O +ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O +ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C +ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O +ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N +ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H +ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C +ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C +ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S +ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C +ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O +ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N +ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H +ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C +ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C +ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C +ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C +ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C +ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N +ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H +ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H +ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H +ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C +ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O +ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N +ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H +ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C +ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C +ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C +ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C +ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O +ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O +ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C +ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O +ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N +ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H +ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C +ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C +ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C +ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C +ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C +ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C +ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C +ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C +ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O +ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H +ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C +ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O +ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N +ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H +ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C +ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C +ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C +ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O +ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N +ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H +ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H +ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C +ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O +ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N +ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H +ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C +ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C +ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C +ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C +ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C +ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C +ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C +ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C +ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O +ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H +ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C +ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O +ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N +ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H +ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C +ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C +ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C +ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O +ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O +ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C +ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O +ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N +ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H +ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C +ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C +ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C +ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C +ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C +ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N +ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H +ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H +ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H +ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C +ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O +ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N +ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H +ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C +ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C +ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O +ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H +ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C +ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O +ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N +ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H +ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C +ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C +ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C +ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C +ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C +ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C +ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O +ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N +ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H +ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C +ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C +ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C +ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C +ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C +ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O +ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N +ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H +ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C +ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C +ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C +ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O +ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O +ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C +ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O +ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N +ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H +ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C +ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C +ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O +ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H +ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C +ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O +ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N +ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H +ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C +ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C +ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O +ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N +ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H +ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C +ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C +ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O +ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H +ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C +ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C +ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O +ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N +ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H +ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C +ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C +ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O +ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H +ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C +ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C +ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O +ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N +ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H +ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C +ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C +ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C +ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O +ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N +ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H +ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H +ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C +ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O +ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N +ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H +ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C +ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C +ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C +ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C +ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C +ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C +ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O +ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N +ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H +ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C +ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C +ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C +ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C +ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N +ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H +ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C +ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N +ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H +ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H +ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N +ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H +ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H +ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C +ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O +ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N +ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H +ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C +ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C +ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C +ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C +ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C +ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C +ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O +ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N +ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C +ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C +ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C +ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C +ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C +ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O +ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N +ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H +ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C +ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C +ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C +ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C +ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C +ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N +ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H +ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H +ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H +ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C +ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O +ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N +ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H +ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C +ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C +ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C +ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C +ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C +ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N +ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H +ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H +ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H +ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C +ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O +ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N +ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H +ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C +ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C +ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C +ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C +ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C +ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O +ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N +ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H +ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C +ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C +ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C +ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C +ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C +ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C +ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C +ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C +ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C +ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O +ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N +ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H +ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C +ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C +ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C +ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C +ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O +ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O +ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C +ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O +ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N +ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H +ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C +ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C +ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C +ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O +ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N +ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H +ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C +ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C +ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C +ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O +ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N +ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H +ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C +ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C +ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C +ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C +ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C +ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O +ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N +ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H +ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C +ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C +ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C +ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C +ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C +ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N +ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H +ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H +ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H +ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C +ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O +ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N +ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H +ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C +ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C +ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O +ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H +ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C +ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O +ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N +ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H +ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C +ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C +ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C +ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C +ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C +ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C +ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O +ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N +ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H +ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C +ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C +ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C +ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C +ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C +ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N +ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H +ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H +ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H +ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C +ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O +ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N +ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H +ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C +ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C +ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C +ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O +ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N +ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H +ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C +ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C +ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C +ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O +ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N +ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H +ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C +ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C +ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O +ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H +ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C +ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O +ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N +ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H +ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C +ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C +ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O +ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H +ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C +ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O +ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N +ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H +ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C +ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C +ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O +ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H +ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C +ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C +ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O +ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N +ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H +ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C +ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C +ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C +ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C +ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O +ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O +ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C +ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O +ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N +ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H +ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C +ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C +ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C +ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C +ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C +ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N +ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H +ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H +ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H +ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C +ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O +ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N +ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H +ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C +ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C +ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C +ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C +ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C +ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C +ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C +ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C +ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C +ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O +ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N +ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C +ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C +ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C +ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C +ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C +ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O +ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N +ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H +ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C +ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C +ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C +ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O +ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O +ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C +ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O +ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N +ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H +ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C +ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C +ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O +ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N +ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H +ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C +ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C +ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C +ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C +ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C +ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C +ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C +ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C +ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C +ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O +ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N +ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H +ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C +ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C +ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C +ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C +ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C +ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C +ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C +ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N +ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H +ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C +ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C +ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C +ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C +ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O +ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N +ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H +ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C +ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C +ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C +ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C +ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C +ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C +ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O +ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N +ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H +ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C +ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C +ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O +ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N +ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H +ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C +ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C +ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C +ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C +ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O +ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O +ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C +ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O +ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N +ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H +ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C +ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C +ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C +ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C +ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O +ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N +ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H +ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H +ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C +ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O +ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N +ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H +ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C +ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C +ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C +ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C +ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C +ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C +ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O +ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N +ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H +ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C +ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C +ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C +ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C +ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C +ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O +ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N +ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H +ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C +ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C +ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S +ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C +ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O +ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N +ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H +ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C +ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C +ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C +ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C +ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C +ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C +ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C +ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N +ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H +ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C +ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C +ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C +ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C +ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O +ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N +ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H +ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C +ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C +ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C +ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C +ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O +ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N +ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H +ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H +ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C +ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O +ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N +ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H +ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C +ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C +ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C +ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O +ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N +ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H +ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C +ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C +ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O +ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N +ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H +ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C +ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C +ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O +ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H +ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C +ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C +ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O +ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N +ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H +ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C +ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C +ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O +ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H +ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C +ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C +ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O +ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N +ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C +ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C +ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C +ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C +ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C +ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O +ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N +ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H +ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C +ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C +ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C +ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C +ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C +ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C +ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C +ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N +ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H +ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C +ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C +ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C +ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C +ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O +ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N +ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H +ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C +ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C +ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C +ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O +ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N +ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H +ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H +ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C +ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O +ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N +ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H +ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C +ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C +ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C +ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C +ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C +ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C +ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O +ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N +ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H +ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C +ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C +ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C +ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C +ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C +ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C +ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C +ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C +ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C +ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O +ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N +ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C +ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C +ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C +ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C +ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C +ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O +ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N +ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H +ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C +ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C +ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C +ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C +ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C +ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O +ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N +ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H +ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C +ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C +ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C +ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C +ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C +ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C +ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O +ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N +ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H +ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C +ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C +ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O +ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H +ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C +ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O +ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N +ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H +ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C +ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C +ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C +ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C +ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C +ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C +ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O +ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N +ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H +ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C +ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C +ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C +ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C +ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C +ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C +ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C +ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C +ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O +ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H +ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C +ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O +ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N +ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H +ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C +ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C +ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C +ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C +ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C +ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C +ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O +ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N +ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H +ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C +ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C +ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C +ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S +ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C +ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C +ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O +ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N +ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H +ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C +ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C +ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O +ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N +ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H +ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C +ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C +ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C +ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C +ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O +ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O +ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C +ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O +ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N +ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H +ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C +ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C +ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C +ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C +ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C +ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O +ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N +ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H +ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C +ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C +ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O +ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H +ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C +ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C +ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O +ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N +ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H +ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C +ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C +ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C +ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O +ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N +ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H +ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H +ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C +ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O +ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N +ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H +ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C +ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C +ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C +ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C +ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O +ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N +ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H +ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H +ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C +ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O +ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N +ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H +ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C +ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C +ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O +ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H +ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C +ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O +ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N +ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H +ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C +ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C +ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C +ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C +ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C +ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C +ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C +ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C +ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C +ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O +ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N +ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H +ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C +ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C +ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C +ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C +ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N +ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H +ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C +ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N +ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H +ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H +ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N +ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H +ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H +ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C +ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O +ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N +ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H +ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C +ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C +ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C +ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C +ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C +ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C +ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O +ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N +ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H +ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C +ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C +ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O +ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H +ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C +ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C +ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O +ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N +ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H +ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C +ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C +ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C +ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C +ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C +ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C +ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O +ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N +ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H +ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C +ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C +ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C +ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C +ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C +ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C +ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O +ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N +ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C +ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C +ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C +ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C +ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C +ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O +ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N +ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H +ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C +ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C +ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C +ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C +ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O +ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N +ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H +ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H +ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C +ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O +ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N +ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H +ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C +ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C +ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C +ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C +ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O +ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N +ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H +ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H +ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C +ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O +ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N +ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H +ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C +ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C +ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C +ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C +ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C +ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C +ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C +ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C +ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O +ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H +ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C +ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O +ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N +ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H +ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C +ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C +ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C +ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C +ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C +ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C +ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O +ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N +ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H +ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C +ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C +ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C +ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C +ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N +ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H +ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C +ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N +ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H +ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H +ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N +ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H +ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H +ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C +ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O +ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N +ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C +ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C +ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C +ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C +ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C +ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O +ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N +ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H +ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C +ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C +ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C +ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C +ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C +ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O +ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N +ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H +ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C +ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C +ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C +ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C +ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O +ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O +ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C +ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O +ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N +ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H +ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C +ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C +ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C +ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O +ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O +ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C +ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O +ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N +ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H +ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C +ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C +ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C +ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C +ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C +ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O +ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N +ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H +ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C +ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C +ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C +ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O +ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N +ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H +ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C +ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C +ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O +ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H +ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C +ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C +ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O +ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N +ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H +ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C +ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C +ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O +ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H +ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C +ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O +ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N +ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H +ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C +ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C +ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C +ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C +ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O +ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N +ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H +ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H +ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C +ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O +ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N +ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H +ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C +ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C +ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C +ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O +ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O +ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C +ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O +ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N +ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H +ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C +ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C +ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C +ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O +ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O +ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C +ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O +ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N +ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H +ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C +ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C +ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S +ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C +ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O +ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N +ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H +ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C +ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C +ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C +ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C +ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C +ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C +ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C +ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C +ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O +ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H +ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C +ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O +ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N +ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H +ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C +ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C +ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C +ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C +ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C +ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N +ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H +ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H +ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H +ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C +ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O +ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N +ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H +ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C +ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C +ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C +ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C +ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C +ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C +ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C +ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C +ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C +ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O +ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N +ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H +ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C +ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C +ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C +ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O +ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N +ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H +ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C +ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C +ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C +ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C +ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C +ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C +ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O +ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N +ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H +ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C +ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C +ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O +ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H +ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C +ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O +ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N +ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H +ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C +ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C +ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C +ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C +ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O +ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N +ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H +ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H +ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C +ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O +ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N +ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H +ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C +ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C +ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O +ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H +ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C +ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O +ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N +ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H +ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C +ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C +ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O +ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H +ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C +ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O +ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N +ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H +ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C +ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C +ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O +ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H +ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C +ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C +ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O +ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N +ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H +ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C +ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C +ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O +ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N +ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H +ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C +ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C +ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O +ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H +ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C +ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C +ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O +ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N +ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H +ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C +ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C +ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C +ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C +ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C +ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O +ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N +ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H +ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C +ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C +ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C +ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S +ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C +ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C +ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O +ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N +ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H +ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C +ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C +ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O +ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N +ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H +ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C +ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C +ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C +ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O +ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N +ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H +ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C +ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C +ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C +ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C +ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C +ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O +ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N +ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H +ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C +ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C +ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C +ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C +ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C +ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C +ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O +ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N +ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H +ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C +ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C +ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C +ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S +ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C +ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C +ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O +ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N +ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H +ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C +ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C +ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C +ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C +ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O +ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O +ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C +ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O +ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N +ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H +ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C +ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C +ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O +ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N +ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H +ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C +ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C +ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C +ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C +ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C +ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C +ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C +ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C +ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C +ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O +ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N +ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H +ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C +ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C +ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C +ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C +ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C +ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C +ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C +ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C +ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O +ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H +ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C +ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O +ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N +ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H +ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C +ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C +ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C +ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C +ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C +ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O +ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N +ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H +ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C +ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C +ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C +ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C +ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C +ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O +ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N +ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H +ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C +ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C +ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C +ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C +ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C +ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C +ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C +ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C +ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C +ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O +ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N +ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H +ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C +ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C +ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C +ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O +ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O +ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C +ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O +ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N +ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H +ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C +ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C +ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C +ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C +ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N +ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H +ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C +ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N +ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H +ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H +ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N +ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H +ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H +ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C +ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O +ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N +ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H +ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C +ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C +ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C +ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O +ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N +ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H +ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C +ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C +ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C +ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C +ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N +ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H +ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C +ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N +ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H +ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H +ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N +ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H +ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H +ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C +ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O +ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N +ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H +ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C +ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C +ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C +ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C +ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C +ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N +ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H +ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H +ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H +ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C +ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O +ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N +ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H +ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C +ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C +ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C +ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C +ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N +ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H +ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C +ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N +ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H +ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H +ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N +ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H +ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H +ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C +ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O +ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N +ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H +ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C +ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C +ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C +ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C +ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C +ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C +ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O +ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N +ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H +ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C +ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C +ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O +ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N +ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H +ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C +ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C +ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C +ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C +ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C +ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C +ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C +ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C +ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C +ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O +ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N +ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H +ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C +ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C +ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C +ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O +ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N +ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H +ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C +ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C +ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C +ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C +ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C +ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O +ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N +ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H +ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C +ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C +ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O +ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H +ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C +ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O +ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N +ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H +ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C +ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C +ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C +ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O +ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N +ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H +ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C +ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C +ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S +ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C +ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O +ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N +ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H +ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C +ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C +ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C +ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N +ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H +ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C +ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N +ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C +ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C +ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O +ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N +ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H +ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C +ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C +ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C +ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C +ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C +ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O +ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N +ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H +ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C +ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C +ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C +ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N +ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H +ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C +ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N +ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C +ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C +ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O +ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N +ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H +ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C +ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C +ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C +ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O +ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O +ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C +ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O +ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N +ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H +ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C +ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C +ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C +ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C +ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O +ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O +ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C +ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O +ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N +ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H +ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C +ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C +ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C +ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C +ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C +ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C +ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C +ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C +ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C +ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O +ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N +ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H +ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C +ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C +ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C +ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C +ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N +ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H +ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C +ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N +ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H +ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H +ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N +ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H +ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H +ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C +ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O +ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N +ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H +ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C +ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C +ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O +ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H +ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C +ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C +ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O +ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N +ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H +ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C +ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C +ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C +ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O +ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N +ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H +ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C +ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C +ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C +ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O +ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N +ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H +ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C +ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C +ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C +ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C +ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C +ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O +ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N +ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H +ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C +ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C +ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C +ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C +ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O +ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O +ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C +ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O +ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N +ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H +ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C +ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C +ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O +ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N +ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C +ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C +ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C +ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C +ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C +ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O +ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N +ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H +ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C +ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C +ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C +ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C +ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C +ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C +ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C +ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C +ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C +ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O +ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N +ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H +ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C +ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C +ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C +ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C +ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C +ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O +ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N +ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H +ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C +ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C +ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O +ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H +ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C +ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C +ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O +ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N +ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H +ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C +ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C +ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C +ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C +ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C +ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C +ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O +ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N +ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H +ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C +ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C +ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C +ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O +ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O +ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C +ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O +ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N +ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H +ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C +ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C +ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C +ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S +ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C +ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C +ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O +ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N +ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H +ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C +ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C +ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C +ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C +ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O +ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O +ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C +ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O +ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N +ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H +ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C +ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C +ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C +ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O +ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O +ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C +ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O +ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N +ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H +ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C +ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C +ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S +ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C +ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O +ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N +ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H +ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C +ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C +ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O +ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N +ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H +ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C +ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C +ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C +ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C +ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C +ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C +ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C +ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C +ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O +ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H +ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C +ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O +ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N +ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H +ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C +ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C +ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C +ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O +ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N +ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H +ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H +ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C +ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O +ENDMDL +MODEL 2 +REMARK original generated coordinate pdb file +ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N +ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H +ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C +ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C +ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C +ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C +ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O +ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O +ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C +ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O +ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N +ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H +ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C +ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C +ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C +ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S +ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C +ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C +ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O +ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N +ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H +ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C +ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C +ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C +ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C +ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C +ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O +ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N +ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H +ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C +ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C +ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C +ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O +ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O +ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C +ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O +ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N +ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H +ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C +ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C +ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C +ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O +ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N +ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H +ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H +ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C +ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O +ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N +ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H +ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C +ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C +ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C +ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C +ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C +ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C +ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O +ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N +ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H +ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C +ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C +ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C +ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C +ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N +ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H +ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C +ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N +ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H +ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H +ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N +ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H +ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H +ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C +ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O +ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N +ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H +ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C +ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C +ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O +ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N +ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H +ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C +ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C +ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C +ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C +ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C +ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N +ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H +ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H +ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H +ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C +ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O +ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N +ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H +ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C +ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C +ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O +ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H +ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C +ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O +ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N +ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H +ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C +ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C +ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O +ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N +ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H +ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C +ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C +ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C +ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C +ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O +ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N +ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H +ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H +ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C +ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O +ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N +ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H +ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C +ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C +ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O +ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N +ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H +ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C +ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C +ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C +ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C +ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C +ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C +ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C +ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C +ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O +ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H +ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C +ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O +ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N +ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H +ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C +ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C +ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C +ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C +ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C +ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C +ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C +ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C +ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O +ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H +ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C +ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O +ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N +ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H +ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C +ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C +ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C +ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C +ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C +ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O +ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N +ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H +ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C +ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C +ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C +ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C +ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O +ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O +ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C +ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O +ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N +ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H +ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C +ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C +ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C +ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S +ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C +ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C +ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O +ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N +ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H +ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C +ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C +ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O +ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H +ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C +ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C +ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O +ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N +ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H +ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C +ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C +ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C +ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C +ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C +ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O +ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N +ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H +ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C +ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C +ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O +ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N +ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H +ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C +ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C +ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O +ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H +ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C +ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O +ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N +ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C +ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C +ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C +ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C +ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C +ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O +ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N +ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C +ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C +ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C +ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C +ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C +ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O +ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N +ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H +ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C +ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C +ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C +ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C +ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O +ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N +ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H +ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H +ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C +ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O +ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N +ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H +ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C +ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C +ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O +ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H +ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C +ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C +ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O +ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N +ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H +ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C +ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C +ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C +ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C +ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C +ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C +ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O +ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N +ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H +ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C +ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C +ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C +ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O +ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N +ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H +ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H +ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C +ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O +ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N +ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H +ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C +ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C +ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C +ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C +ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C +ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C +ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O +ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N +ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H +ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C +ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C +ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C +ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C +ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C +ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C +ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O +ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N +ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H +ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C +ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C +ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C +ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C +ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C +ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O +ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N +ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H +ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C +ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C +ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C +ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O +ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O +ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C +ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O +ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N +ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H +ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C +ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C +ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O +ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H +ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C +ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C +ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O +ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N +ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H +ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C +ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C +ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O +ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N +ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H +ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C +ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C +ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O +ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H +ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C +ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O +ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N +ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H +ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C +ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C +ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O +ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H +ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C +ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O +ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N +ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H +ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C +ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C +ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C +ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O +ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N +ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H +ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H +ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C +ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O +ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N +ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H +ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C +ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C +ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C +ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C +ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C +ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C +ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C +ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C +ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C +ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O +ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N +ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H +ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C +ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C +ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C +ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O +ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N +ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H +ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C +ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C +ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C +ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C +ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C +ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O +ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N +ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H +ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C +ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C +ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O +ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N +ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H +ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C +ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C +ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C +ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O +ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N +ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H +ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C +ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C +ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C +ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O +ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N +ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C +ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C +ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C +ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C +ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C +ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O +ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N +ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H +ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C +ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C +ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C +ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N +ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H +ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C +ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N +ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C +ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C +ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O +ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N +ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H +ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C +ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C +ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O +ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H +ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C +ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O +ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N +ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C +ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C +ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C +ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C +ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C +ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O +ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N +ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H +ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C +ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C +ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C +ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C +ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C +ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C +ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C +ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C +ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C +ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O +ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N +ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H +ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C +ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C +ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C +ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C +ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C +ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C +ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C +ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C +ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C +ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O +ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N +ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H +ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C +ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C +ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C +ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C +ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C +ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O +ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N +ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H +ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C +ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C +ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C +ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C +ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C +ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C +ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O +ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N +ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H +ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C +ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C +ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C +ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N +ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H +ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C +ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N +ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C +ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C +ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O +ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N +ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H +ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C +ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C +ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C +ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C +ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N +ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H +ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C +ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N +ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H +ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H +ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N +ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H +ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H +ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C +ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O +ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N +ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H +ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C +ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C +ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C +ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C +ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C +ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C +ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C +ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C +ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O +ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H +ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C +ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O +ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N +ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H +ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C +ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C +ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C +ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C +ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C +ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C +ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C +ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C +ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O +ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H +ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C +ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O +ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N +ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H +ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C +ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C +ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C +ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C +ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O +ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N +ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H +ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H +ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C +ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O +ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N +ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H +ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C +ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C +ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C +ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C +ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N +ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H +ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C +ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N +ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H +ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H +ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N +ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H +ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H +ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C +ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O +ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N +ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H +ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C +ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C +ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C +ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C +ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O +ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N +ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H +ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H +ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C +ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O +ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N +ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H +ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C +ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C +ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C +ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C +ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C +ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C +ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O +ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N +ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H +ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C +ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C +ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O +ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H +ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C +ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O +ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N +ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H +ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C +ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C +ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O +ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H +ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C +ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O +ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N +ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H +ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C +ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C +ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O +ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H +ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C +ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C +ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O +ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N +ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H +ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C +ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C +ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C +ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C +ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C +ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C +ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C +ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C +ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O +ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H +ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C +ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O +ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N +ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H +ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C +ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C +ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C +ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C +ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N +ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H +ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C +ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N +ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H +ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H +ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N +ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H +ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H +ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C +ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O +ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N +ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H +ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C +ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C +ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C +ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O +ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O +ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C +ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O +ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N +ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H +ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C +ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C +ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C +ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C +ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C +ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C +ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O +ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N +ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H +ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C +ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C +ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C +ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C +ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N +ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H +ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C +ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N +ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H +ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H +ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N +ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H +ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H +ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C +ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O +ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N +ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H +ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C +ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C +ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C +ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C +ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C +ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N +ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H +ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H +ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H +ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C +ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O +ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N +ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H +ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C +ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C +ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O +ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N +ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H +ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C +ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C +ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C +ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C +ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C +ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O +ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N +ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H +ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C +ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C +ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C +ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C +ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C +ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C +ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C +ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C +ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O +ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H +ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C +ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O +ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N +ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H +ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C +ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C +ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C +ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C +ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C +ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O +ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N +ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C +ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C +ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C +ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C +ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C +ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O +ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N +ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H +ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C +ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C +ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C +ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C +ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C +ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C +ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C +ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C +ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O +ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H +ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C +ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O +ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N +ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H +ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C +ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C +ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O +ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H +ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C +ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C +ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O +ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N +ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H +ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C +ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C +ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C +ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C +ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O +ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N +ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H +ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H +ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C +ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O +ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N +ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H +ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C +ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C +ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O +ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N +ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H +ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C +ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C +ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C +ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C +ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C +ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N +ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H +ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H +ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H +ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C +ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O +ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N +ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H +ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C +ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C +ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C +ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C +ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C +ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C +ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C +ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N +ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H +ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C +ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C +ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C +ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C +ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O +ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N +ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H +ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C +ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C +ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C +ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C +ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O +ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O +ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C +ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O +ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N +ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H +ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C +ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C +ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O +ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N +ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H +ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C +ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C +ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C +ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C +ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O +ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O +ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C +ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O +ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N +ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H +ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C +ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C +ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C +ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C +ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C +ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C +ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O +ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N +ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H +ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C +ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C +ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O +ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N +ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H +ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C +ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C +ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O +ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H +ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C +ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C +ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O +ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N +ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H +ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C +ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C +ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C +ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O +ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O +ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C +ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O +ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N +ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H +ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C +ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C +ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C +ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C +ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C +ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C +ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O +ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N +ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H +ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C +ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C +ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C +ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C +ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C +ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O +ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N +ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H +ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C +ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C +ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O +ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H +ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C +ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O +ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N +ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H +ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C +ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C +ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C +ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C +ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C +ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C +ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O +ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N +ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C +ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C +ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C +ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C +ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C +ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O +ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N +ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H +ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C +ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C +ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C +ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N +ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H +ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C +ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N +ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C +ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C +ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O +ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N +ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H +ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C +ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C +ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O +ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N +ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C +ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C +ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C +ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C +ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C +ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O +ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N +ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H +ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C +ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C +ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C +ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O +ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N +ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H +ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H +ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C +ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O +ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N +ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H +ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C +ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C +ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C +ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C +ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C +ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O +ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N +ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H +ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C +ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C +ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O +ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H +ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C +ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C +ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O +ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N +ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H +ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C +ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C +ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C +ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C +ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C +ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O +ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N +ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H +ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C +ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C +ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C +ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C +ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N +ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H +ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C +ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N +ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H +ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H +ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N +ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H +ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H +ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C +ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O +ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N +ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H +ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C +ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C +ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C +ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O +ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N +ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H +ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C +ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C +ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C +ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O +ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N +ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H +ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H +ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C +ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O +ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N +ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H +ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C +ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C +ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C +ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C +ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C +ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C +ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O +ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N +ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H +ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C +ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C +ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C +ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O +ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N +ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H +ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C +ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C +ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C +ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O +ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N +ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H +ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C +ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C +ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C +ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C +ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C +ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C +ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O +ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N +ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H +ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C +ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C +ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O +ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H +ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C +ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C +ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O +ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N +ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H +ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C +ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C +ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C +ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C +ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O +ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O +ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C +ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O +ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N +ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H +ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C +ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C +ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O +ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H +ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C +ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O +ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N +ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H +ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C +ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C +ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C +ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O +ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O +ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C +ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O +ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N +ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H +ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C +ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C +ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C +ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C +ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C +ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N +ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H +ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H +ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H +ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C +ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O +ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N +ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H +ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C +ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C +ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C +ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C +ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C +ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C +ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C +ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C +ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C +ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O +ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N +ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H +ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C +ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C +ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C +ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C +ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C +ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C +ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C +ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C +ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C +ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O +ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N +ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H +ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C +ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C +ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C +ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C +ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C +ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C +ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O +ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N +ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H +ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C +ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C +ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C +ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O +ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N +ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H +ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H +ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C +ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O +ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N +ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H +ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C +ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C +ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O +ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N +ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H +ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C +ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C +ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O +ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H +ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C +ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O +ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N +ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H +ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C +ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C +ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C +ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O +ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N +ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H +ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H +ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C +ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O +ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N +ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H +ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C +ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C +ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C +ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C +ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C +ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C +ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C +ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N +ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H +ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C +ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C +ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C +ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C +ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O +ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N +ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H +ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C +ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C +ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C +ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C +ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O +ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O +ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C +ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O +ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N +ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H +ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C +ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C +ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O +ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N +ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H +ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C +ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C +ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C +ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C +ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C +ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C +ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O +ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N +ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H +ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C +ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C +ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C +ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C +ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C +ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C +ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O +ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N +ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H +ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C +ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C +ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O +ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N +ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H +ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C +ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C +ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C +ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C +ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C +ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C +ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O +ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N +ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H +ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C +ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C +ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C +ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O +ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N +ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H +ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C +ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C +ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C +ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C +ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C +ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C +ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C +ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C +ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O +ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H +ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C +ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O +ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N +ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H +ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C +ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C +ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C +ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O +ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N +ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H +ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C +ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C +ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C +ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C +ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O +ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O +ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C +ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O +ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N +ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H +ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C +ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C +ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C +ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C +ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C +ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C +ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O +ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N +ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H +ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C +ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C +ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C +ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O +ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N +ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H +ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C +ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C +ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C +ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C +ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N +ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H +ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C +ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N +ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H +ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H +ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N +ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H +ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H +ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C +ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O +ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N +ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C +ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C +ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C +ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C +ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C +ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O +ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N +ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H +ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C +ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C +ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C +ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O +ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O +ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C +ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O +ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N +ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H +ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C +ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C +ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C +ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O +ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O +ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C +ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O +ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N +ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H +ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C +ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C +ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O +ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H +ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C +ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O +ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N +ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H +ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C +ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C +ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C +ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C +ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C +ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C +ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O +ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N +ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H +ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C +ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C +ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C +ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C +ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O +ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O +ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C +ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O +ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N +ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C +ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C +ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C +ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C +ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C +ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O +ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N +ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H +ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C +ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C +ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C +ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C +ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C +ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C +ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C +ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C +ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C +ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O +ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N +ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H +ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C +ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C +ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C +ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C +ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C +ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C +ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C +ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C +ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C +ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O +ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N +ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H +ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C +ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C +ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C +ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O +ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O +ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C +ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O +ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N +ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H +ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C +ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C +ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O +ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H +ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C +ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O +ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N +ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H +ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C +ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C +ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C +ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C +ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C +ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C +ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O +ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N +ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H +ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C +ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C +ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C +ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C +ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C +ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O +ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N +ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H +ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C +ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C +ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C +ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C +ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C +ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N +ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H +ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H +ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H +ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C +ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O +ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N +ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H +ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C +ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C +ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C +ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C +ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O +ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N +ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H +ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H +ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C +ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O +ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N +ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H +ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C +ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C +ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O +ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H +ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C +ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C +ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O +ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N +ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H +ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C +ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C +ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C +ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N +ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H +ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C +ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N +ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C +ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C +ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O +ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N +ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H +ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C +ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C +ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C +ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C +ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C +ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O +ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N +ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C +ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C +ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C +ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C +ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C +ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O +ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N +ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H +ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C +ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C +ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C +ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O +ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N +ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H +ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H +ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C +ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O +ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N +ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H +ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C +ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C +ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C +ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C +ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C +ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C +ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O +ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N +ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H +ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C +ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C +ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C +ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C +ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C +ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C +ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C +ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C +ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C +ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O +ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N +ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H +ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C +ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C +ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O +ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H +ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C +ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O +ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N +ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H +ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C +ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C +ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C +ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C +ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C +ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C +ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O +ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N +ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H +ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C +ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C +ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C +ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C +ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O +ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N +ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H +ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H +ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C +ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O +ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N +ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H +ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C +ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C +ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C +ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C +ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C +ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C +ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O +ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N +ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H +ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C +ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C +ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S +ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C +ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O +ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N +ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H +ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C +ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C +ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O +ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N +ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H +ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C +ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C +ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C +ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O +ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N +ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H +ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C +ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C +ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O +ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H +ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C +ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O +ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N +ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H +ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C +ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C +ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C +ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C +ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C +ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O +ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N +ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H +ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C +ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C +ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O +ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N +ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H +ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C +ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C +ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O +ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N +ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H +ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C +ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C +ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O +ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H +ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C +ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O +ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N +ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H +ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C +ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C +ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C +ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S +ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C +ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C +ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O +ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N +ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H +ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C +ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C +ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C +ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C +ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C +ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C +ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O +ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N +ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H +ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C +ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C +ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C +ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C +ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C +ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C +ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O +ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N +ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H +ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C +ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C +ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O +ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N +ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H +ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C +ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C +ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O +ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N +ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H +ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C +ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C +ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C +ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C +ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C +ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C +ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O +ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N +ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H +ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C +ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C +ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C +ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O +ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O +ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C +ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O +ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N +ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H +ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C +ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C +ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C +ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N +ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H +ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C +ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N +ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C +ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C +ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O +ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N +ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H +ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C +ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C +ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O +ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H +ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C +ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O +ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N +ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H +ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C +ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C +ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C +ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C +ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C +ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C +ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O +ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N +ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H +ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C +ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C +ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C +ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C +ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C +ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C +ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C +ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C +ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O +ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H +ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C +ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O +ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N +ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H +ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C +ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C +ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O +ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H +ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C +ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C +ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O +ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N +ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H +ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C +ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C +ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O +ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N +ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H +ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C +ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C +ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O +ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H +ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C +ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O +ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N +ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H +ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C +ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C +ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C +ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C +ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C +ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C +ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O +ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N +ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H +ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C +ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C +ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C +ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C +ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C +ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C +ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C +ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N +ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H +ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C +ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C +ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C +ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C +ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O +ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N +ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H +ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C +ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C +ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C +ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C +ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C +ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C +ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C +ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C +ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O +ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H +ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C +ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O +ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N +ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H +ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C +ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C +ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O +ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H +ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C +ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C +ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O +ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N +ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C +ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C +ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C +ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C +ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C +ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O +ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N +ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H +ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C +ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C +ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C +ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C +ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C +ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C +ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O +ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N +ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H +ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C +ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C +ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C +ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C +ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N +ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H +ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C +ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N +ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H +ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H +ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N +ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H +ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H +ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C +ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O +ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N +ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H +ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C +ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C +ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C +ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C +ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N +ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H +ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C +ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N +ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H +ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H +ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N +ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H +ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H +ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C +ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O +ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N +ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H +ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C +ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C +ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C +ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C +ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O +ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O +ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C +ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O +ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N +ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H +ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C +ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C +ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C +ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C +ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C +ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C +ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C +ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N +ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H +ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C +ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C +ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C +ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C +ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O +ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N +ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H +ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C +ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C +ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C +ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C +ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C +ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C +ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C +ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C +ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O +ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H +ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C +ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O +ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N +ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H +ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C +ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C +ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C +ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C +ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C +ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C +ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C +ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C +ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O +ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H +ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C +ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O +ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N +ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H +ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C +ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C +ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C +ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C +ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O +ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O +ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C +ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O +ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N +ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H +ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C +ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C +ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C +ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C +ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C +ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O +ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N +ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H +ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C +ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C +ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C +ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C +ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C +ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C +ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O +ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N +ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H +ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C +ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C +ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C +ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C +ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C +ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C +ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O +ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N +ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H +ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C +ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C +ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C +ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C +ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C +ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O +ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N +ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H +ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C +ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C +ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C +ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C +ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N +ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H +ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C +ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N +ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H +ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H +ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N +ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H +ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H +ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C +ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O +ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N +ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H +ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C +ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C +ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C +ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C +ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C +ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O +ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N +ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H +ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C +ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C +ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C +ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C +ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O +ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O +ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C +ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O +ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N +ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H +ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C +ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C +ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C +ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C +ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C +ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C +ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O +ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N +ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H +ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C +ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C +ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C +ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O +ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N +ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H +ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H +ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C +ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O +ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N +ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H +ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C +ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C +ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O +ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N +ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H +ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C +ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C +ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C +ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C +ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O +ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N +ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H +ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H +ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C +ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O +ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N +ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H +ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C +ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C +ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C +ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O +ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O +ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C +ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O +ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N +ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H +ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C +ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C +ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C +ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C +ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C +ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C +ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O +ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N +ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H +ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C +ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C +ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C +ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C +ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C +ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N +ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H +ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H +ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H +ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C +ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O +ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N +ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H +ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C +ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C +ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C +ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S +ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C +ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C +ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O +ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N +ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H +ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C +ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C +ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C +ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O +ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O +ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C +ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O +ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N +ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H +ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C +ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C +ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S +ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C +ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O +ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N +ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H +ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C +ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C +ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C +ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C +ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C +ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N +ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H +ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H +ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H +ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C +ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O +ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N +ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H +ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C +ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C +ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C +ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C +ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O +ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O +ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C +ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O +ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N +ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H +ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C +ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C +ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C +ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C +ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C +ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C +ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C +ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C +ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O +ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H +ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C +ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O +ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N +ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H +ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C +ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C +ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C +ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O +ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N +ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H +ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H +ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C +ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O +ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N +ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H +ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C +ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C +ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C +ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C +ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C +ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C +ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C +ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C +ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O +ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H +ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C +ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O +ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N +ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H +ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C +ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C +ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C +ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O +ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O +ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C +ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O +ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N +ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H +ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C +ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C +ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C +ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C +ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C +ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N +ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H +ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H +ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H +ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C +ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O +ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N +ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H +ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C +ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C +ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O +ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H +ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C +ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O +ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N +ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H +ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C +ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C +ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C +ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C +ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C +ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C +ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O +ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N +ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H +ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C +ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C +ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C +ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C +ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C +ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O +ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N +ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H +ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C +ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C +ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C +ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O +ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O +ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C +ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O +ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N +ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H +ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C +ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C +ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O +ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H +ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C +ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O +ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N +ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H +ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C +ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C +ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O +ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N +ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H +ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C +ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C +ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O +ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H +ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C +ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C +ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O +ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N +ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H +ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C +ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C +ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O +ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H +ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C +ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C +ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O +ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N +ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H +ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C +ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C +ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C +ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O +ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N +ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H +ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H +ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C +ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O +ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N +ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H +ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C +ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C +ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C +ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C +ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C +ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C +ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O +ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N +ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H +ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C +ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C +ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C +ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C +ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N +ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H +ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C +ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N +ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H +ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H +ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N +ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H +ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H +ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C +ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O +ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N +ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H +ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C +ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C +ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C +ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C +ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C +ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C +ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O +ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N +ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C +ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C +ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C +ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C +ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C +ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O +ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N +ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H +ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C +ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C +ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C +ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C +ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C +ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N +ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H +ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H +ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H +ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C +ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O +ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N +ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H +ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C +ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C +ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C +ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C +ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C +ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N +ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H +ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H +ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H +ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C +ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O +ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N +ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H +ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C +ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C +ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C +ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C +ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C +ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O +ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N +ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H +ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C +ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C +ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C +ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C +ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C +ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C +ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C +ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C +ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C +ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O +ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N +ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H +ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C +ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C +ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C +ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C +ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O +ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O +ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C +ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O +ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N +ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H +ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C +ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C +ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C +ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O +ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N +ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H +ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C +ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C +ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C +ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O +ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N +ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H +ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C +ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C +ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C +ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C +ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C +ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O +ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N +ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H +ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C +ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C +ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C +ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C +ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C +ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N +ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H +ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H +ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H +ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C +ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O +ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N +ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H +ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C +ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C +ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O +ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H +ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C +ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O +ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N +ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H +ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C +ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C +ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C +ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C +ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C +ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C +ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O +ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N +ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H +ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C +ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C +ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C +ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C +ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C +ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N +ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H +ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H +ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H +ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C +ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O +ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N +ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H +ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C +ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C +ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C +ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O +ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N +ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H +ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C +ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C +ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C +ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O +ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N +ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H +ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C +ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C +ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O +ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H +ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C +ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O +ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N +ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H +ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C +ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C +ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O +ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H +ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C +ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O +ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N +ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H +ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C +ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C +ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O +ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H +ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C +ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C +ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O +ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N +ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H +ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C +ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C +ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C +ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C +ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O +ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O +ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C +ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O +ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N +ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H +ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C +ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C +ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C +ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C +ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C +ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N +ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H +ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H +ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H +ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C +ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O +ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N +ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H +ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C +ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C +ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C +ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C +ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C +ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C +ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C +ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C +ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C +ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O +ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N +ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C +ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C +ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C +ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C +ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C +ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O +ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N +ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H +ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C +ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C +ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C +ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O +ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O +ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C +ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O +ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N +ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H +ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C +ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C +ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O +ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N +ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H +ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C +ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C +ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C +ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C +ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C +ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C +ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C +ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C +ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C +ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O +ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N +ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H +ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C +ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C +ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C +ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C +ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C +ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C +ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C +ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N +ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H +ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C +ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C +ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C +ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C +ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O +ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N +ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H +ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C +ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C +ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C +ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C +ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C +ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C +ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O +ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N +ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H +ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C +ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C +ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O +ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N +ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H +ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C +ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C +ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C +ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C +ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O +ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O +ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C +ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O +ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N +ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H +ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C +ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C +ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C +ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C +ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O +ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N +ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H +ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H +ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C +ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O +ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N +ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H +ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C +ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C +ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C +ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C +ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C +ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C +ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O +ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N +ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H +ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C +ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C +ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C +ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C +ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C +ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O +ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N +ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H +ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C +ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C +ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S +ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C +ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O +ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N +ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H +ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C +ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C +ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C +ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C +ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C +ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C +ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C +ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N +ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H +ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C +ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C +ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C +ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C +ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O +ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N +ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H +ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C +ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C +ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C +ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C +ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O +ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N +ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H +ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H +ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C +ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O +ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N +ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H +ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C +ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C +ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C +ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O +ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N +ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H +ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C +ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C +ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O +ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N +ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H +ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C +ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C +ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O +ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H +ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C +ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C +ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O +ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N +ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H +ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C +ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C +ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O +ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H +ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C +ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C +ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O +ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N +ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C +ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C +ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C +ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C +ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C +ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O +ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N +ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H +ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C +ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C +ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C +ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C +ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C +ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C +ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C +ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N +ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H +ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C +ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C +ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C +ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C +ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O +ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N +ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H +ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C +ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C +ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C +ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O +ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N +ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H +ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H +ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C +ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O +ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N +ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H +ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C +ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C +ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C +ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C +ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C +ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C +ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O +ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N +ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H +ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C +ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C +ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C +ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C +ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C +ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C +ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C +ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C +ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C +ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O +ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N +ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C +ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C +ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C +ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C +ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C +ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O +ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N +ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H +ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C +ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C +ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C +ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C +ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C +ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O +ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N +ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H +ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C +ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C +ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C +ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C +ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C +ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C +ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O +ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N +ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H +ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C +ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C +ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O +ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H +ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C +ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O +ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N +ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H +ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C +ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C +ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C +ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C +ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C +ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C +ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O +ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N +ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H +ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C +ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C +ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C +ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C +ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C +ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C +ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C +ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C +ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O +ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H +ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C +ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O +ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N +ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H +ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C +ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C +ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C +ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C +ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C +ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C +ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O +ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N +ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H +ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C +ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C +ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C +ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S +ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C +ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C +ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O +ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N +ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H +ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C +ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C +ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O +ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N +ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H +ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C +ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C +ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C +ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C +ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O +ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O +ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C +ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O +ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N +ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H +ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C +ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C +ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C +ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C +ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C +ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O +ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N +ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H +ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C +ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C +ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O +ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H +ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C +ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C +ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O +ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N +ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H +ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C +ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C +ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C +ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O +ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N +ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H +ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H +ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C +ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O +ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N +ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H +ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C +ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C +ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C +ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C +ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O +ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N +ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H +ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H +ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C +ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O +ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N +ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H +ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C +ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C +ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O +ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H +ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C +ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O +ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N +ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H +ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C +ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C +ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C +ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C +ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C +ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C +ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C +ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C +ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C +ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O +ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N +ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H +ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C +ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C +ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C +ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C +ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N +ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H +ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C +ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N +ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H +ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H +ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N +ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H +ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H +ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C +ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O +ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N +ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H +ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C +ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C +ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C +ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C +ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C +ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C +ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O +ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N +ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H +ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C +ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C +ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O +ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H +ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C +ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C +ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O +ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N +ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H +ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C +ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C +ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C +ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C +ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C +ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C +ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O +ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N +ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H +ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C +ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C +ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C +ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C +ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C +ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C +ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O +ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N +ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C +ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C +ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C +ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C +ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C +ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O +ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N +ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H +ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C +ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C +ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C +ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C +ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O +ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N +ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H +ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H +ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C +ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O +ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N +ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H +ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C +ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C +ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C +ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C +ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O +ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N +ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H +ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H +ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C +ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O +ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N +ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H +ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C +ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C +ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C +ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C +ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C +ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C +ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C +ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C +ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O +ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H +ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C +ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O +ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N +ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H +ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C +ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C +ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C +ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C +ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C +ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C +ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O +ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N +ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H +ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C +ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C +ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C +ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C +ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N +ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H +ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C +ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N +ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H +ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H +ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N +ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H +ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H +ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C +ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O +ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N +ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C +ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C +ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C +ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C +ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C +ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O +ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N +ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H +ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C +ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C +ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C +ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C +ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C +ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O +ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N +ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H +ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C +ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C +ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C +ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C +ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O +ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O +ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C +ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O +ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N +ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H +ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C +ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C +ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C +ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O +ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O +ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C +ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O +ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N +ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H +ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C +ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C +ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C +ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C +ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C +ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O +ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N +ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H +ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C +ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C +ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C +ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O +ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N +ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H +ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C +ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C +ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O +ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H +ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C +ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C +ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O +ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N +ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H +ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C +ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C +ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O +ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H +ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C +ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O +ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N +ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H +ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C +ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C +ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C +ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C +ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O +ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N +ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H +ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H +ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C +ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O +ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N +ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H +ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C +ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C +ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C +ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O +ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O +ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C +ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O +ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N +ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H +ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C +ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C +ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C +ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O +ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O +ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C +ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O +ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N +ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H +ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C +ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C +ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S +ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C +ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O +ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N +ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H +ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C +ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C +ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C +ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C +ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C +ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C +ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C +ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C +ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O +ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H +ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C +ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O +ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N +ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H +ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C +ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C +ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C +ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C +ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C +ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N +ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H +ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H +ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H +ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C +ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O +ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N +ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H +ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C +ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C +ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C +ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C +ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C +ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C +ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C +ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C +ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C +ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O +ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N +ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H +ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C +ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C +ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C +ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O +ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N +ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H +ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C +ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C +ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C +ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C +ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C +ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C +ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O +ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N +ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H +ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C +ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C +ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O +ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H +ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C +ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O +ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N +ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H +ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C +ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C +ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C +ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C +ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O +ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N +ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H +ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H +ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C +ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O +ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N +ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H +ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C +ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C +ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O +ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H +ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C +ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O +ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N +ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H +ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C +ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C +ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O +ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H +ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C +ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O +ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N +ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H +ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C +ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C +ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O +ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H +ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C +ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C +ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O +ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N +ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H +ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C +ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C +ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O +ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N +ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H +ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C +ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C +ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O +ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H +ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C +ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C +ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O +ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N +ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H +ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C +ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C +ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C +ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C +ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C +ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O +ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N +ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H +ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C +ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C +ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C +ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S +ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C +ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C +ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O +ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N +ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H +ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C +ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C +ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O +ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N +ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H +ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C +ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C +ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C +ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O +ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N +ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H +ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C +ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C +ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C +ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C +ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C +ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O +ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N +ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H +ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C +ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C +ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C +ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C +ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C +ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C +ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O +ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N +ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H +ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C +ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C +ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C +ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S +ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C +ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C +ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O +ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N +ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H +ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C +ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C +ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C +ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C +ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O +ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O +ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C +ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O +ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N +ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H +ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C +ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C +ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O +ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N +ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H +ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C +ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C +ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C +ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C +ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C +ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C +ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C +ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C +ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C +ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O +ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N +ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H +ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C +ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C +ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C +ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C +ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C +ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C +ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C +ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C +ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O +ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H +ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C +ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O +ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N +ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H +ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C +ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C +ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C +ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C +ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C +ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O +ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N +ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H +ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C +ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C +ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C +ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C +ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C +ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O +ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N +ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H +ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C +ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C +ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C +ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C +ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C +ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C +ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C +ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C +ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C +ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O +ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N +ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H +ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C +ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C +ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C +ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O +ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O +ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C +ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O +ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N +ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H +ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C +ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C +ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C +ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C +ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N +ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H +ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C +ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N +ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H +ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H +ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N +ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H +ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H +ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C +ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O +ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N +ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H +ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C +ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C +ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C +ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O +ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N +ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H +ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C +ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C +ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C +ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C +ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N +ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H +ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C +ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N +ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H +ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H +ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N +ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H +ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H +ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C +ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O +ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N +ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H +ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C +ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C +ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C +ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C +ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C +ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N +ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H +ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H +ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H +ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C +ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O +ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N +ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H +ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C +ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C +ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C +ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C +ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N +ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H +ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C +ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N +ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H +ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H +ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N +ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H +ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H +ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C +ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O +ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N +ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H +ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C +ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C +ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C +ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C +ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C +ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C +ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O +ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N +ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H +ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C +ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C +ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O +ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N +ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H +ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C +ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C +ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C +ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C +ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C +ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C +ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C +ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C +ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C +ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O +ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N +ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H +ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C +ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C +ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C +ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O +ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N +ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H +ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C +ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C +ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C +ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C +ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C +ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O +ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N +ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H +ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C +ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C +ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O +ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H +ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C +ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O +ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N +ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H +ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C +ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C +ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C +ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O +ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N +ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H +ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C +ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C +ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S +ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C +ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O +ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N +ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H +ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C +ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C +ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C +ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N +ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H +ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C +ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N +ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C +ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C +ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O +ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N +ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H +ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C +ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C +ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C +ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C +ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C +ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O +ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N +ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H +ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C +ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C +ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C +ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N +ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H +ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C +ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N +ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C +ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C +ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O +ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N +ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H +ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C +ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C +ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C +ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O +ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O +ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C +ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O +ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N +ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H +ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C +ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C +ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C +ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C +ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O +ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O +ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C +ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O +ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N +ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H +ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C +ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C +ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C +ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C +ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C +ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C +ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C +ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C +ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C +ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O +ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N +ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H +ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C +ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C +ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C +ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C +ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N +ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H +ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C +ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N +ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H +ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H +ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N +ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H +ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H +ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C +ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O +ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N +ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H +ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C +ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C +ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O +ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H +ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C +ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C +ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O +ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N +ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H +ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C +ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C +ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C +ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O +ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N +ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H +ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C +ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C +ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C +ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O +ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N +ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H +ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C +ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C +ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C +ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C +ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C +ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O +ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N +ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H +ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C +ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C +ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C +ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C +ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O +ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O +ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C +ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O +ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N +ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H +ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C +ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C +ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O +ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N +ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C +ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C +ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C +ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C +ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C +ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O +ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N +ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H +ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C +ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C +ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C +ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C +ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C +ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C +ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C +ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C +ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C +ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O +ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N +ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H +ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C +ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C +ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C +ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C +ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C +ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O +ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N +ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H +ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C +ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C +ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O +ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H +ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C +ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C +ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O +ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N +ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H +ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C +ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C +ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C +ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C +ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C +ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C +ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O +ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N +ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H +ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C +ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C +ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C +ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O +ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O +ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C +ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O +ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N +ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H +ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C +ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C +ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C +ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S +ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C +ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C +ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O +ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N +ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H +ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C +ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C +ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C +ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C +ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O +ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O +ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C +ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O +ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N +ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H +ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C +ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C +ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C +ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O +ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O +ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C +ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O +ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N +ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H +ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C +ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C +ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S +ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C +ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O +ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N +ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H +ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C +ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C +ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O +ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N +ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H +ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C +ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C +ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C +ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C +ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C +ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C +ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C +ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C +ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O +ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H +ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C +ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O +ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N +ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H +ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C +ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C +ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C +ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O +ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N +ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H +ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H +ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C +ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O +ENDMDL diff --git a/test/data/BACE_4_rec_parm.prm b/test/data/BACE_4_rec_parm.prm new file mode 100644 index 0000000..be856e5 --- /dev/null +++ b/test/data/BACE_4_rec_parm.prm @@ -0,0 +1,6718 @@ +* ... +* Parameter File for CHARMm version 22.0 +* ... +* Includes parameters for both polar and all hydrogen topology files +* ... +* Copyright (c) 1986, 1987, 1988, 1989, 1990, 1991, 1992, 1993 +* Molecular Simulations Incorporated +* Confidential and Proprietary: All Rights Reserved +* ... +* Dihedrals are presumed to be automatically generated and +* should be totally specified, i.e. amide bonds have 4 dihedral +* terms and ethane has 9 dihedral terms. Check the CHARMm PSF if necessary. +* This is not to be confused with multiple periodicity. +* This file can be used only with release CHARMm22. Older CHARMm +* versions do not have proper array sizes and will stop with error. +* ... +* Latest modification: $Date: 2004/05/30 18:43:35 $ +* ... +* +BOND ! BONDS; bonds +B CT 200.0 1.58 +B N 200.0 1.42 +B OE 200.0 1.36 +B OT 200.0 1.325 +B SE 400.0 1.79 +B XCL 200.0 1.74 +B XF 200.0 1.414 +C C 282.0 1.515 +C C5R 450.0 1.38 +C C6R 386.0 1.460 +C C6RE 386.0 1.444 +C C6RP 386.0 1.500 +C C6RQ 386.0 1.500 +C CF1 242.0 1.510 +C CF2 242.0 1.510 +C CF3 242.0 1.503 +C CH1E 279.0 1.515 +C CH2E 279.0 1.515 +C CH3E 279.0 1.515 +C CR1E 450.0 1.38 +CH2E CR1E 250.0 1.45 +SH1E FE 500.0 2.38 +C CR56 386.0 1.419 +C CR66 386.0 1.419 +C CT 242.0 1.530 +C CT3 242.0 1.515 +C CT4 242.0 1.515 +C CUA1 282.0 1.476 +C CUA2 282.0 1.476 +C CUA3 282.0 1.476 +C CUY1 325.0 1.510 +C CUY2 325.0 1.510 +C MSI 300.0 1.93 +C N 620.0 1.270 +C N5R 420.0 1.37 +C N6R 420.0 1.38 +C NC 400.0 1.33 +C NC2 463.0 1.365 +C NO2 400.0 1.380 +C NP 350.0 1.345 +C NT 400.0 1.416 +C NX 350.0 1.350 +C O 640.0 1.225 +C OA 845.0 1.207 +C OAC 640.0 1.193 +C OC 455.0 1.23 +C OE 375.0 1.354 +C OK 690.0 1.193 +C OS 350.0 1.319 +C OT 355.0 1.352 +C PT 400.0 1.780 +C PUA1 540.0 1.750 +C S5R 350.0 1.82 +C S6R 350.0 1.82 +C SE 300.0 1.765 +C SK 570.0 1.68 +C SO1 226.0 1.82 +C SO2 226.0 1.82 +C SO3 226.0 1.82 +C XBR 185.0 1.97 +C XCL 453.0 1.77 +C XF 326.0 1.355 +C XI 300.0 2.10 +C3 CT3 242.0 1.515 +C3 CUA1 315.0 1.47 +C3 OK 640.0 1.225 +C4 CT4 260.0 1.510 +C4 CUA1 315.0 1.47 +C4 NP 350.0 1.375 +C4 NX 350.0 1.388 +C4 O 640.0 1.205 +C4 OK 640.0 1.205 +C5R C5R 450.0 1.400 +C5R C5RE 450.0 1.41 +C5R C5RP 450.0 1.39 +C5R C5RQ 450.0 1.39 +C5R CF1 345.0 1.510 +C5R CF2 345.0 1.500 +C5R CF3 345.0 1.495 +C5R CR55 450.0 1.410 +C5R CR56 450.0 1.448 +C5R CT 345.0 1.51 +C5R CT3 345.0 1.51 +C5R CT4 345.0 1.51 +C5R CUA1 325.0 1.49 +C5R CUA2 325.0 1.49 +C5R MSE 230.0 1.917 +C5R N5R 390.0 1.350 +C5R N5RP 390.0 1.347 +C5R NO2 414.0 1.46 +C5R NP 390.0 1.47 +C5R NR55 390.0 1.35 +C5R NR56 390.0 1.35 +C5R NT 390.0 1.47 +C5R O5R 365.0 1.36 +C5R OE 330.0 1.42 +C5R OK 765.0 1.22 +C5R OS 365.0 1.46 +C5R OT 450.0 1.38 +C5R S5R 350.0 1.71 +C5R SE 230.0 1.773 +C5R SO1 226.0 1.71 +C5R SO2 226.0 1.71 +C5R SO3 226.0 1.71 +C5R XBR 300.0 1.88 +C5R XCL 232.0 1.71 +C5R XF 380.0 1.33 +C5R XI 300.0 2.05 +C5RE C5RE 450.0 1.41 +C5RE N5R 390.0 1.36 +C5RP C 360.0 1.49 +C5RP C5RE 450.0 1.41 +C5RP C5RP 360.0 1.49 +C5RP C5RQ 450.0 1.41 +C5RP C6RP 450.0 1.48 +C5RP C6RQ 450.0 1.48 +C5RP CR55 450.0 1.41 +C5RP CR56 450.0 1.41 +C5RP CT 345.0 1.53 +C5RP CUA1 325.0 1.49 +C5RP CUA2 325.0 1.39 +C5RP N5R 390.0 1.36 +C5RP N5RP 390.0 1.36 +C5RP NO2 414.0 1.46 +C5RP NP 390.0 1.47 +C5RP NT 390.0 1.47 +C5RP O5R 400.0 1.36 +C5RP OE 330.0 1.42 +C5RP OK 765.0 1.22 +C5RP OS 365.0 1.46 +C5RP OT 450.0 1.38 +C5RP S5R 350.0 1.71 +C5RP SO1 226.0 1.71 +C5RP SO2 226.0 1.71 +C5RP SO3 226.0 1.71 +C5RP XBR 300.0 1.88 +C5RP XCL 232.0 1.71 +C5RP XF 380.0 1.33 +C5RP XI 300.0 2.05 +C5RQ C5RQ 360.0 1.48 +C5RQ CR55 450.0 1.41 +C5RQ CR56 450.0 1.41 +C6R C5RP 450.0 1.39 +C6R C5RQ 450.0 1.39 +C6R C6R 440.0 1.383 +C6R C6RE 450.0 1.39 +C6R C6RP 450.0 1.370 +C6R C6RQ 450.0 1.370 +C6R CF1 345.0 1.510 +C6R CF2 345.0 1.500 +C6R CF3 345.0 1.495 +C6R CQ66 450.0 1.403 +C6R CR56 450.0 1.360 +C6R CR66 470.0 1.403 +C6R CS66 470.0 1.403 +C6R CT 345.0 1.500 +C6R CT3 345.0 1.500 +C6R CT4 345.0 1.500 +C6R CUA1 325.0 1.458 +C6R CUA2 325.0 1.458 +C6R CUA3 325.0 1.458 +C6R CUY1 355.0 1.434 +C6R CUY2 355.0 1.434 +C6R MSE 230.0 1.917 +C6R MSI 250.0 1.850 +C6R N 390.0 1.432 +C6R N5R 390.0 1.36 +C6R N6R 420.0 1.327 +C6R N6RP 390.0 1.313 +C6R NC 400.0 1.33 +C6R NO2 414.0 1.46 +C6R NP 390.0 1.355 +C6R NR56 390.0 1.32 +C6R NR66 390.0 1.32 +C6R NT 350.0 1.415 +C6R O 610.0 1.227 +C6R O6R 390.0 1.40 +C6R OC 450.0 1.38 +C6R OE 365.0 1.38 +C6R OK 765.0 1.22 +C6R OS 365.0 1.400 +C6R OT 450.0 1.38 +C6R P6R 350.0 1.70 +C6R PO3 350.0 1.80 +C6R S6R 350.0 1.71 +C6R SE 230.0 1.773 +C6R SO1 350.0 1.725 +C6R SO2 350.0 1.770 +C6R SO3 350.0 1.725 +C6R ST 230.0 1.773 +C6R XBR 300.0 1.873 +C6R XCL 232.0 1.730 +C6R XF 380.0 1.338 +C6R XI 300.0 2.05 +C6RE C6RE 450.0 1.39 +C6RE CR56 450.0 1.39 +C6RE N6R 390.0 1.31 +C6RE OS 365.0 1.46 +C6RP C6RE 450.0 1.39 +C6RP C6RP 460.0 1.485 +C6RP CR56 450.0 1.39 +C6RP CR66 450.0 1.39 +C6RP CT 345.0 1.47 +C6RP CUA1 325.0 1.49 +C6RP CUA2 325.0 1.49 +C6RP N5RP 390.0 1.38 +C6RP N6R 390.0 1.36 +C6RP NC 400.0 1.33 +C6RP NO2 414.0 1.46 +C6RP NP 390.0 1.337 +C6RP NR56 390.0 1.32 +C6RP NR66 390.0 1.32 +C6RP NT 390.0 1.333 +C6RP OE 330.0 1.42 +C6RP OK 765.0 1.22 +C6RP OS 365.0 1.46 +C6RP OT 450.0 1.38 +C6RP S6R 350.0 1.71 +C6RP SO1 226.0 1.71 +C6RP SO2 226.0 1.71 +C6RP SO3 226.0 1.71 +C6RP XBR 300.0 1.88 +C6RP XCL 232.0 1.71 +C6RP XF 380.0 1.33 +C6RP XI 300.0 2.05 +C6RQ C6RP 450.0 1.420 +C6RQ C6RQ 360.0 1.485 +C6RQ CR56 450.0 1.39 +C6RQ CR66 450.0 1.39 +CF1 CF1 268.0 1.500 +CF1 CF2 268.0 1.462 +CF1 CF3 268.0 1.498 +CF1 CT 268.0 1.498 +CF1 CUA1 300.0 1.500 +CF1 CUY1 350.0 1.470 +CF1 MSE 250.0 1.978 +CF1 N 310.0 1.485 +CF1 NP 310.0 1.45 +CF1 NT 295.0 1.473 +CF1 OE 380.0 1.42 +CF1 SE 250.0 1.82 +CF1 ST 250.0 1.82 +CF1 XCL 254.0 1.783 +CF1 XF 275.0 1.388 +CF2 CF2 298.0 1.512 +CF2 CF3 298.0 1.482 +CF2 CT 268.0 1.497 +CF2 CUA1 300.0 1.500 +CF2 CUY1 350.0 1.470 +CF2 MSE 250.0 1.978 +CF2 N 310.0 1.500 +CF2 NP 310.0 1.43 +CF2 NT 295.0 1.473 +CF2 OE 380.0 1.390 +CF2 SE 250.0 1.82 +CF2 ST 250.0 1.82 +CF2 XCL 254.0 1.783 +CF2 XF 275.0 1.335 +CF3 CF3 268.0 1.522 +CF3 CT 208.0 1.520 +CF3 CUA1 300.0 1.500 +CF3 CUY1 350.0 1.470 +CF3 MSE 250.0 1.978 +CF3 N 310.0 1.535 +CF3 NP 310.0 1.40 +CF3 NT 295.0 1.473 +CF3 OE 380.0 1.380 +CF3 SE 250.0 1.82 +CF3 ST 250.0 1.82 +CF3 XF 275.0 1.320 +CH1E C5R 345.0 1.47 +CH1E C5RP 345.0 1.47 +CH1E C6R 345.0 1.47 +CH1E C6RP 345.0 1.47 +CH1E CF1 268.0 1.502 +CH1E CF2 268.0 1.499 +CH1E CF3 268.0 1.497 +CH1E CH1E 268.0 1.53 +CH1E CH2E 268.0 1.53 +CH1E CH3E 268.0 1.53 +CH1E CT 268.0 1.53 +CH1E CUA1 300.0 1.51 +CH1E CUA2 300.0 1.51 +CH1E CUY1 350.0 1.46 +CH1E N5R 390.0 1.47 +CH1E N6R 390.0 1.47 +CH1E NO2 414.0 1.46 +CH1E NP 386.0 1.46 +CH1E NT 390.0 1.47 +CH1E NX 390.0 1.46 +CH1E OE 380.0 1.42 +CH1E OS 365.0 1.46 +CH1E OT 340.0 1.43 +CH1E PT 326.0 1.85 +CH1E SE 237.0 1.80 +CH1E SH1E 226.0 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+MSR XF 300.0 2.51 +MTA CT 250.0 2.066 +MTA MTA 350.0 2.68 +MTA O 300.0 1.984 +MTA OE 300.0 1.910 +MTA XBR 300.0 2.412 +MTA XCL 100.0 2.227 +MTB XBR 300.0 2.626 +MTB XCL 100.0 2.478 +MTB XI 300.0 2.829 +MTC MTC 350.0 2.10 +MTC O 300.0 1.662 +MTC OE 300.0 1.935 +MTC SE 300.0 2.300 +MTC XCL 250.0 2.41 +MTH O 300.0 2.42 +MTH XBR 300.0 2.72 +MTH XCL 100.0 2.58 +MTH XF 300.0 2.14 +MTI CT 300.0 2.14 +MTI O 300.0 1.96 +MTI XBR 300.0 2.339 +MTI XCL 250.0 2.170 +MTI XF 300.0 1.745 +MTI XI 300.0 2.546 +MTL MTL 250.0 3.68 +MTL XF 300.0 2.29 +MTM XBR 300.0 2.583 +MTM XCL 100.0 2.437 +MTM XI 300.0 2.786 +MU O 300.0 2.37 +MU XBR 300.0 2.66 +MU XCL 100.0 2.53 +MU XF 300.0 2.06 +MV N 300.0 1.651 +MV O 144.0 1.611 +MV OS 200.0 1.960 +MV XBR 300.0 2.276 +MV XCL 250.0 2.142 +MV XF 300.0 1.729 +MW CM 300.0 2.05 +MW MW 350.0 2.275 +MW O 250.0 1.925 +MW PT 300.0 2.518 +MW SE 300.0 2.345 +MW XCL 100.0 2.248 +MYB XBR 300.0 2.571 +MYB XCL 100.0 2.425 +MYB XI 300.0 2.774 +MZN C5R 50.0 2.280 +MZN CT 300.0 1.929 +MZN O 300.0 2.099 +MZN XBR 300.0 2.204 +MZN XCL 100.0 2.062 +MZN XI 300.0 2.401 +MZR O 300.0 1.921 +MZR OE 300.0 2.102 +MZR XBR 300.0 2.465 +MZR XCL 267.0 2.350 +MZR XF 300.0 1.902 +MZR XI 300.0 2.660 +FE NP 500.0 2.09 !added by gwo +THETAS ! BOND ANGLES; bond angles +C C C 70.0 106.5! FROM B. R. GELIN THESIS WITH HARMONIC +C C CR1E 70.0 122.5! OF H ANGLES. +CR1E C NP 65.0 122.5 +C NP FE 50.0 128.0! FORCE CONSTANT FROM PARMFIX9 (added by Gwo-Yu) +C CR1E CH2E 90.0 122.0 +C CR1E C 90.0 126.5 +NP FE NP 50.0 90.0 +CT B OE 45.0 110.0 +H B CT 35.0 109.47 +H B OE 35.0 109.47 +H B H 35.0 115.0 +H B HMU 35.0 105.0 +HMU B HMU 35.0 120.0 +OE B OE 35.0 112.0 +OE B OT 35.0 112.0 +OT B OT 35.0 112.0 +SE B SE 70.0 120.0 +SE B XCL 70.0 120.0 +XF B XF 50.0 109.47 +C C C6R 65.0 120.0 +C C CF1 44.0 118.0 +C C CF2 44.0 118.0 +C C CF3 44.0 118.0 +C C CH1E 65.0 118.0 +C C CH2E 65.0 118.0 +C C CH3E 65.0 118.0 +C C CT 44.0 118.0 +C C CUA1 65.0 120.0 +C C CUA2 65.0 120.0 +C C CUA3 65.0 120.0 +C C N 65.0 120.0 +C C NP 65.0 120.0 +C C NT 65.0 120.0 +C C NX 65.0 115.5 +C C O 80.0 120.0 +C C OA 83.0 120.9 +C C OAC 80.0 120.0 +C C OK 80.0 120.0 +C C OS 60.0 117.5 +C C OT 75.0 114.5 +C C PT 70.0 108.0 +C C SE 60.0 120.0 +C5R C CUA1 70.0 117.5 +C5R C CUA2 70.0 117.5 +C5R C CUA3 70.0 117.5 +C5R C NC 70.0 120.0 +C5R C NP 70.0 117.5 +C5R C O 85.0 121.5 +C5R C OA 80.0 121.0 +C5R C OAC 85.0 121.5 +C5R C OC 85.0 118.5 +C5R C OK 90.0 121.5 +C5R C OS 60.0 115.0 +C5R C OT 60.0 115.0 +C5RP C NC 70.0 120.0 +C5RP C OC 85.0 118.5 +C6R C C6R 86.0 120.0 +C6R C CR66 70.0 120.0 +C6R C CUA1 70.0 117.5 +C6R C CUA2 70.0 117.5 +C6R C CUA3 70.0 117.5 +C6R C CUY1 85.0 112.5 +C6R C CUY2 85.0 112.5 +C6R C N 70.0 126.0 +C6R C N5R 85.0 108.0 +C6R C N6R 62.0 114.1 +C6R C NC 70.0 120.0 +C6R C NP 70.0 117.5 +C6R C O 86.0 127.0 +C6R C OA 80.0 124.5 +C6R C OAC 86.0 121.1 +C6R C OC 85.0 118.5 +C6R C OE 86.0 125.3 +C6R C OK 90.0 121.5 +C6R C OS 60.0 110.0 +C6R C OT 60.0 115.0 +C6R C XF 75.0 110.5 +C6RE C N6R 62.0 114.1 +C6RE C NP 65.0 120.0 +C6RE C O 86.0 125.3 +C6RE C OS 40.0 120.0 +C6RP C CUA1 70.0 117.5 +C6RP C CUA2 70.0 117.5 +C6RP C CUA3 70.0 117.5 +C6RP C NC 70.0 120.0 +C6RP C OA 80.0 121.0 +C6RP C OC 86.0 118.5 +C6RP C OK 90.0 121.5 +C6RP C OS 60.0 115.0 +C6RP C OT 60.0 115.0 +CF1 C C5R 70.0 117.0 +CF1 C C6R 70.0 117.0 +CF1 C CT 78.0 117.0 +CF1 C CT3 78.0 117.0 +CF1 C CT4 78.0 117.0 +CF1 C CUA1 70.0 117.5 +CF1 C CUA2 70.0 117.5 +CF1 C CUA3 70.0 117.5 +CF1 C N 58.0 120.0 +CF1 C N5R 60.0 117.0 +CF1 C N6R 60.0 117.0 +CF1 C NC 58.0 120.0 +CF1 C NP 44.0 113.0 +CF1 C NT 55.0 123.6 +CF1 C NX 64.0 112.9 +CF1 C O 98.0 121.9 +CF1 C OA 62.0 124.8 +CF1 C OAC 66.0 125.0 +CF1 C OC 85.0 118.5 +CF1 C OK 75.0 121.5 +CF1 C OS 60.0 111.0 +CF1 C OT 54.0 108.5 +CF1 C SE 67.0 123.2 +CF1 C SK 67.0 123.2 +CF1 C XBR 45.0 111.0 +CF1 C XCL 59.0 118.0 +CF1 C XF 75.0 118.0 +CF1 C XI 40.0 118.0 +CF2 C C5R 70.0 117.0 +CF2 C C6R 70.0 117.0 +CF2 C CT 78.0 117.0 +CF2 C CT3 78.0 117.0 +CF2 C CT4 78.0 117.0 +CF2 C CUA1 70.0 117.5 +CF2 C CUA2 70.0 117.5 +CF2 C CUA3 70.0 117.5 +CF2 C N 58.0 120.0 +CF2 C N5R 60.0 117.0 +CF2 C N6R 60.0 117.0 +CF2 C NC 58.0 120.0 +CF2 C NP 44.0 113.0 +CF2 C NT 55.0 123.6 +CF2 C NX 64.0 112.9 +CF2 C O 98.0 121.9 +CF2 C OA 62.0 124.8 +CF2 C OAC 66.0 125.0 +CF2 C OC 85.0 118.5 +CF2 C OK 75.0 121.5 +CF2 C OS 60.0 111.0 +CF2 C OT 54.0 108.5 +CF2 C SE 67.0 123.2 +CF2 C SK 67.0 123.2 +CF2 C XBR 45.0 111.0 +CF2 C XCL 59.0 118.0 +CF2 C XF 75.0 118.0 +CF2 C XI 40.0 118.0 +CF3 C C5R 70.0 117.0 +CF3 C C6R 70.0 117.0 +CF3 C CT 78.0 117.0 +CF3 C CT3 78.0 117.0 +CF3 C CT4 78.0 117.0 +CF3 C CUA1 70.0 117.5 +CF3 C CUA2 70.0 117.5 +CF3 C CUA3 70.0 117.5 +CF3 C N 58.0 120.0 +CF3 C N5R 60.0 117.0 +CF3 C N6R 60.0 117.0 +CF3 C NC 58.0 120.0 +CF3 C NP 44.0 113.0 +CF3 C NT 55.0 123.6 +CF3 C NX 64.0 112.9 +CF3 C O 98.0 121.9 +CF3 C OA 62.0 124.8 +CF3 C OAC 66.0 125.0 +CF3 C OC 85.0 118.5 +CF3 C OK 75.0 121.5 +CF3 C OS 60.0 111.0 +CF3 C OT 54.0 108.5 +CF3 C SE 67.0 123.2 +CF3 C SK 67.0 123.2 +CF3 C XBR 45.0 111.0 +CF3 C XCL 59.0 118.0 +CF3 C XF 75.0 118.0 +CF3 C XI 40.0 118.0 +CH1E C C5R 70.0 117.0 +CH1E C C6R 70.0 117.0 +CH1E C CF1 65.0 117.0 +CH1E C CF2 65.0 117.0 +CH1E C CF3 65.0 117.0 +CH1E C CH1E 65.0 117.0 +CH1E C CH2E 65.0 117.0 +CH1E C CH3E 65.0 117.0 +CH1E C CT 65.0 117.0 +CH1E C CUA1 70.0 117.5 +CH1E C CUA2 70.0 117.5 +CH1E C CUA3 70.0 117.5 +CH1E C N5R 58.0 120.0 +CH1E C N6R 58.0 120.0 +CH1E C NC 58.0 120.0 +CH1E C NP 64.0 113.9 +CH1E C NX 64.0 112.9 +CH1E C O 66.0 122.6 +CH1E C OA 80.0 122.0 +CH1E C OAC 66.0 122.6 +CH1E C OC 85.0 118.5 +CH1E C OK 90.0 121.5 +CH1E C OS 60.0 115.0 +CH1E C OT 60.0 115.0 +CH1E C XBR 59.0 118.0 +CH1E C XCL 59.0 118.0 +CH1E C XF 59.0 118.0 +CH1E C XI 59.0 118.0 +CH2E C C5R 70.0 117.0 +CH2E C C6R 70.0 117.0 +CH2E C CF1 65.0 117.0 +CH2E C CF2 65.0 117.0 +CH2E C CF3 65.0 117.0 +CH2E C CH2E 65.0 117.0 +CH2E C CH3E 65.0 117.0 +CH2E C CT 65.0 117.0 +CH2E C CUA1 70.0 117.5 +CH2E C CUA2 70.0 117.5 +CH2E C CUA3 70.0 117.5 +CH2E C N5R 60.0 117.0 +CH2E C N6R 60.0 117.0 +CH2E C NC 58.0 120.0 +CH2E C NP 64.0 113.9 +CH2E C NX 64.0 112.9 +CH2E C O 66.0 122.6 +CH2E C OA 80.0 121.0 +CH2E C OAC 66.0 122.6 +CH2E C OC 85.0 118.5 +CH2E C OK 90.0 121.5 +CH2E C OS 60.0 115.0 +CH2E C OT 60.0 115.0 +CH2E C XBR 59.0 118.0 +CH2E C XCL 59.0 118.0 +CH2E C XF 59.0 118.0 +CH2E C XI 59.0 118.0 +CH3E C C5R 70.0 117.0 +CH3E C C6R 70.0 117.0 +CH3E C CH3E 65.0 117.0 +CH3E C CT 65.0 117.0 +CH3E C CUA1 70.0 117.5 +CH3E C CUA2 70.0 117.5 +CH3E C CUA3 70.0 117.5 +CH3E C N5R 60.0 117.0 +CH3E C N6R 60.0 117.0 +CH3E C NC 58.0 120.0 +CH3E C NP 64.0 113.9 +CH3E C NX 64.0 112.9 +CH3E C O 66.0 122.6 +CH3E C OA 80.0 122.0 +CH3E C OAC 66.0 122.6 +CH3E C OC 85.0 118.5 +CH3E C OK 90.0 121.5 +CH3E C OS 60.0 115.0 +CH3E C OT 60.0 115.0 +CH3E C XBR 59.0 118.0 +CH3E C XCL 59.0 118.0 +CH3E C XF 59.0 118.0 +CH3E C XI 59.0 118.0 +CR56 C N6R 62.0 111.3 +CR56 C NP 62.0 120.0 +CR56 C O 86.0 128.8 +CR66 C NP 90.0 120.0 +CR66 C O 120.0 120.0 +CT C C5R 70.0 117.0 +CT C C6R 70.0 117.0 +CT C CT 58.0 117.0 +CT C CT3 78.0 117.0 +CT C CT4 78.0 117.0 +CT C CUA1 70.0 117.5 +CT C CUA2 70.0 117.5 +CT C CUA3 70.0 117.5 +CT C N 58.0 120.0 +CT C N5R 60.0 117.0 +CT C N6R 60.0 117.0 +CT C NC 58.0 120.0 +CT C NP 44.0 113.0 +CT C NT 55.0 123.6 +CT C NX 64.0 112.9 +CT C O 98.0 121.9 +CT C OA 62.0 124.8 +CT C OAC 66.0 124.0 +CT C OC 85.0 118.5 +CT C OE 75.0 114.0 +CT C OK 75.0 121.5 +CT C OS 60.0 113.5 +CT C OT 54.0 110.6 +CT C SE 67.0 114.1 +CT C SK 67.0 123.2 +CT C XBR 45.0 111.0 +CT C XCL 59.0 118.0 +CT C XF 75.0 118.0 +CT C XI 40.0 118.0 +CT3 C NP 75.0 120.0 +CT3 C O 75.0 121.5 +CT3 C OA 75.0 121.5 +CT3 C OAC 75.0 125.0 +CT3 C OK 75.0 121.5 +CT3 C OS 75.0 111.0 +CT4 C NP 64.0 113.9 +CT4 C O 75.0 121.5 +CT4 C OA 75.0 121.5 +CT4 C OK 75.0 121.5 +CUA1 C CUA1 55.0 120.0 +CUA1 C N 55.0 119.0 +CUA1 C N5R 55.0 119.0 +CUA1 C N6R 55.0 119.0 +CUA1 C NC 55.0 119.0 +CUA1 C NP 55.0 119.0 +CUA1 C NT 55.0 119.0 +CUA1 C NX 55.0 119.0 +CUA1 C O 40.0 120.0 +CUA1 C OA 85.0 124.6 +CUA1 C OAC 40.0 120.0 +CUA1 C OC 40.0 120.0 +CUA1 C OK 40.0 120.0 +CUA1 C OS 40.0 120.0 +CUA1 C OT 40.0 120.0 +CUA1 C SE 60.0 120.0 +CUA1 C XCL 40.0 120.0 +CUA2 C N5R 55.0 119.0 +CUA2 C N6R 55.0 119.0 +CUA2 C NC 55.0 119.0 +CUA2 C NP 55.0 119.0 +CUA2 C NX 55.0 119.0 +CUA2 C O 40.0 120.0 +CUA2 C OA 85.0 124.0 +CUA2 C OAC 40.0 120.0 +CUA2 C OC 40.0 120.0 +CUA2 C OK 40.0 120.0 +CUA2 C OS 40.0 120.0 +CUY1 C CUY1 55.0 120.0 +CUY1 C CUY2 55.0 120.0 +CUY1 C O 80.0 120.0 +CUY1 C OA 55.0 123.0 +CUY1 C OAC 80.0 120.0 +CUY1 C OT 55.0 116.5 +CUY2 C CUY2 55.0 120.0 +CUY2 C O 80.0 120.0 +CUY2 C OA 55.0 123.0 +HA C C 38.0 115.1 +HA C C5R 45.0 117.0 +HA C C6R 45.0 114.5 +HA C CF1 45.0 117.0 +HA C CF2 45.0 117.0 +HA C CF3 45.0 117.0 +HA C CH1E 45.0 117.0 +HA C CH2E 45.0 117.0 +HA C CH3E 45.0 117.0 +HA C CT 45.0 115.2 +HA C CUA1 38.0 115.0 +HA C CUA2 38.0 110.0 +HA C CUA3 38.0 110.0 +HA C HA 30.0 120.0 +HA C N 55.0 124.0 +HA C N5R 55.0 120.0 +HA C N6R 55.0 118.0 +HA C NC 55.0 120.0 +HA C NP 55.0 110.4 +HA C NT 55.0 120.0 +HA C O 50.0 124.5 +HA C OA 38.0 124.0 +HA C OAC 50.0 123.5 +HA C OE 50.0 120.0 +HA C OS 52.0 111.5 +HA C OT 52.0 110.0 +HA C PUA1 50.0 120.0 +HA C SE 40.0 124.0 +HA C XBR 40.0 120.0 +HA C XCL 40.0 120.0 +HA C XF 40.0 120.0 +HA C XI 40.0 120.0 +MCO C MCO 55.0 120.0 +MCO C O 55.0 120.0 +MSI C O 50.0 120.0 +MSI C OAC 50.0 120.0 +N C NC 50.0 120.0 +N C NP 50.0 108.0 +N C NT 50.0 126.0 +N C N 50.0 126.0 +N C NX 50.0 108.0 +N C O 70.0 120.0 +N C OE 50.0 117.0 +N C SE 50.0 114.0 +N C SK 50.0 180.0 +N C XBR 50.0 126.0 +N5R C N 70.0 126.0 +N5R C N5R 70.0 106.0 +N5R C NP 70.0 127.0 +N5R C NT 70.0 120.0 +N6R C N6R 62.0 117.0 +N6R C NP 70.0 119.8 +N6R C NT 62.0 117.0 +N6R C O 70.0 121.0 +NC C NC 70.0 120.0 +NC C NP 70.0 120.0 +NC C OE 70.0 120.0 +NP C NO2 65.0 126.0 +NP C NP 90.0 117.0 +NP C NT 70.0 122.5 +NP C NX 90.0 117.0 +NP C O 98.0 125.1 +NP C OA 84.0 122.0 +NP C OAC 98.0 125.1 +NP C OE 84.0 120.0 +NP C OS 95.0 115.5 +NP C SE 50.0 109.0 +NP C SK 50.0 123.9 +NP C SO2 50.0 136.5 +NP C XBR 50.0 126.0 +NP C XF 50.0 125.0 +NT C O 55.0 120.0 +NT C OAC 55.0 120.0 +NT C SE 55.0 126.5 +NX C NT 70.0 122.5 +NX C NX 70.0 118.0 +NX C O 98.0 124.5 +NX C OS 95.0 115.5 +NX C SE 65.0 120.0 +NX C SK 70.0 120.0 +O C OC 81.0 123.0 +O C OS 81.0 124.4 +O C OT 100.0 126.5 +O C SE 75.0 124.0 +O C XBR 121.0 116.5 +O C XCL 121.0 116.5 +O C XF 121.0 116.5 +O C XI 121.0 116.5 +OA C OS 81.0 123.5 +OA C OT 85.0 120.0 +OA C XBR 121.0 116.5 +OA C XCL 121.0 116.5 +OA C XF 121.0 116.5 +OA C XI 121.0 116.5 +OAC C OC 81.0 124.4 +OAC C OS 81.0 122.5 +OAC C OT 100.0 123.9 +OAC C XBR 121.0 116.5 +OAC C XCL 121.0 116.5 +OAC C XF 121.0 116.5 +OAC C XI 121.0 116.5 +OC C OC 85.0 123.0 +OC C OT 85.0 120.0 +OS C OS 81.0 111.5 +OS C OT 60.0 116.5 +OS C XBR 70.0 120.0 +OS C XCL 70.0 120.0 +OS C XF 70.0 120.0 +SE C SE 70.0 111.0 +SE C SK 60.0 120.0 +SE C SO2 50.0 136.5 +XF C PT 49.0 120.0 +XF C XF 50.0 120.0 +CT3 C3 O 55.0 150.0 +CT3 C3 OK 55.0 150.0 +CT4 C4 CT4 58.0 92.0 +CT4 C4 NX 45.0 92.0 +CT4 C4 O 55.0 134.0 +CT4 C4 OK 55.0 134.0 +MCO C4 MCO 55.0 90.0 +MCO C4 O 55.0 135.0 +NP C4 O 98.0 135.0 +NX C4 O 98.0 132.0 +C C5R C5R 70.0 128.0 +C C5R CR56 70.0 125.0 +C C5R N5R 70.0 126.0 +C C5R O5R 70.0 126.0 +C C5R S5R 70.0 126.0 +C5R C5R C5R 70.0 108.0 +C5R C5R C5RE 70.0 108.0 +C5R C5R C5RP 70.0 108.0 +C5R C5R C5RQ 70.0 108.0 +C5R C5R CR55 70.0 108.0 +C5R C5R CR56 70.0 107.0 +C5R C5R CUA1 90.0 126.0 +C5R C5R CUA2 90.0 126.0 +C5R C5R MBE 10.0 140.0 +C5R C5R MSE 70.0 126.0 +C5R C5R N5R 65.0 106.5 +C5R C5R N5RP 65.0 106.5 +C5R C5R NP 65.0 126.0 +C5R C5R NR55 65.0 107.0 +C5R C5R NR56 70.0 107.0 +C5R C5R O5R 95.0 111.0 +C5R C5R OE 65.0 126.0 +C5R C5R OK 65.0 126.0 +C5R C5R OS 80.0 126.0 +C5R C5R OT 65.0 126.0 +C5R C5R S5R 95.0 113.0 +C5R C5R SE 65.0 126.5 +C5R C5R XBR 65.0 126.0 +C5R C5R XCL 65.0 126.0 +C5R C5R XF 65.0 126.0 +C5R C5R XI 65.0 126.0 +C5RE C5R C5RE 65.0 108.0 +C5RE C5R CR55 65.0 108.0 +C5RE C5R CR56 65.0 107.0 +C5RE C5R CUA1 90.0 126.0 +C5RE C5R CUA2 90.0 126.0 +C5RE C5R CUA3 90.0 126.0 +C5RE C5R N5R 65.0 112.0 +C5RE C5R NR55 65.0 107.0 +C5RE C5R NR56 65.0 107.0 +C5RE C5R OE 65.0 126.0 +C5RE C5R OK 65.0 126.0 +C5RE C5R OS 80.0 126.0 +C5RE C5R OT 65.0 126.0 +C5RE C5R XBR 65.0 126.0 +C5RE C5R XCL 65.0 126.0 +C5RE C5R XF 65.0 126.0 +C5RE C5R XI 65.0 126.0 +C5RP C5R CR55 70.0 108.0 +C5RP C5R CR56 70.0 107.0 +C5RP C5R NR56 70.0 107.0 +C5RP C5R O5R 95.0 111.0 +C5RP C5R S5R 95.0 107.0 +C5RP C5R XBR 65.0 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25.0 126.0 +HA C5R N5RP 25.0 126.0 +HA C5R N6R 25.0 126.0 +HA C5R NR55 25.0 126.0 +HA C5R NR56 25.0 126.0 +HA C5R O5R 25.0 126.0 +HA C5R PUA1 25.0 120.0 +HA C5R S5R 25.0 126.0 +N5R C5R CUA1 90.0 127.0 +N5R C5R N5R 100.0 115.0 +N5R C5R N6R 70.0 104.0 +N5R C5R NP 70.0 127.0 +N5R C5R NR56 70.0 106.0 +N5R C5R NT 70.0 127.0 +N5R C5R O5R 100.0 112.0 +N5R C5R OE 50.0 126.0 +N5R C5R S5R 100.0 112.0 +N5R C5R XCL 55.0 127.0 +NP C5R O5R 65.0 126.0 +NP C5R S5R 65.0 126.0 +S5R C5R SO2 65.0 126.0 +C5R C5RE C5R 65.0 108.0 +C5R C5RE C5RE 65.0 108.0 +C5R C5RE N5R 65.0 112.0 +C5R C5RE O5R 65.0 112.0 +C5R C5RE S5R 65.0 112.0 +C5RE C5RE C5RE 65.0 108.0 +C5RE C5RE N5R 65.0 112.0 +C5RE C5RE O5R 65.0 112.0 +C5RE C5RE S5R 65.0 112.0 +CR55 C5RE C5R 65.0 107.0 +CR55 C5RE C5RE 65.0 107.0 +CR55 C5RE N5R 65.0 112.0 +CR55 C5RE O5R 65.0 112.0 +CR55 C5RE S5R 65.0 107.0 +CR56 C5RE C5R 65.0 107.0 +CR56 C5RE C5RE 65.0 107.0 +CR56 C5RE N5R 65.0 107.0 +CR56 C5RE NR56 65.0 107.0 +CR56 C5RE O5R 65.0 107.0 +CR56 C5RE S5R 65.0 107.0 +N5R C5RE N5R 65.0 104.0 +N5R C5RE O5R 65.0 104.0 +N5R C5RE S5R 65.0 104.0 +C5R C5RP C5R 70.0 108.0 +C5R C5RP C6RP 70.0 126.0 +C5R C5RP CR55 70.0 108.0 +C5R C5RP CR56 70.0 107.0 +C5R C5RP N5R 65.0 112.0 +C5R C5RP N5RP 65.0 112.0 +C5R C5RP NR55 65.0 107.0 +C5R C5RP NR56 70.0 107.0 +C5R C5RP S5R 95.0 108.0 +C5RP C5RP C5R 70.0 126.0 +C5RP C5RP N5R 65.0 126.0 +C5RP C5RP O5R 70.0 126.0 +C5RP C5RP S5R 70.0 126.0 +CR55 C5RP N5R 65.0 112.0 +CR55 C5RP N5RP 70.0 127.0 +CR55 C5RP O5R 95.0 110.0 +CR55 C5RP S5R 95.0 114.0 +HA C5RP N5R 25.0 122.0 +N5R C5RP C5RQ 60.0 127.0 +N5R C5RP C6RP 60.0 127.0 +N5R C5RP N5R 70.0 104.0 +N5R C5RP N5RP 70.0 106.0 +N5R C5RP O5R 100.0 112.0 +N5R C5RP S5R 100.0 112.0 +O5R C5RP C6RP 60.0 127.0 +S5R C5RP C6RP 60.0 127.0 +C5R C5RQ C5R 70.0 108.0 +C5R C5RQ N5R 65.0 112.0 +C5R C5RQ NR55 65.0 107.0 +C5RP C5RQ C5R 70.0 108.0 +C5RP C5RQ N5R 65.0 126.0 +C5RP C5RQ O5R 70.0 126.0 +C5RP C5RQ S5R 70.0 126.0 +CR55 C5RQ N5R 65.0 112.0 +CR55 C5RQ O5R 95.0 110.0 +CR55 C5RQ S5R 95.0 114.0 +N5R C5RQ C5RQ 60.0 127.0 +N5R C5RQ C6RP 60.0 127.0 +N5R C5RQ N5R 70.0 104.0 +N5R C5RQ O5R 100.0 112.0 +N5R C5RQ S5R 100.0 112.0 +O5R C5RQ C6RP 60.0 127.0 +S5R C5RQ C6RP 60.0 127.0 +C C6R C 70.0 120.0 +C C6R C6RE 70.0 120.0 +C C6R C6RP 70.0 120.0 +C C6R C6RQ 70.0 120.0 +C C6R CH3E 70.0 120.0 +C C6R CQ66 70.0 120.0 +C C6R CR66 70.0 120.0 +C C6R CS66 70.0 120.0 +C C6R CT 70.0 120.0 +C C6R N 70.0 120.0 +C C6R N6R 70.0 120.0 +C C6R N6RP 70.0 120.0 +C C6R NP 70.0 120.0 +C C6R NR66 70.0 120.0 +C C6R O6R 70.0 120.0 +C C6R P6R 70.0 120.0 +C6R C6R C 70.0 120.0 +C6R C6R C6R 70.0 120.0 +C6R C6R C6RE 70.0 120.0 +C6R C6R C6RP 70.0 120.0 +C6R C6R C6RQ 70.0 120.0 +C6R C6R CF1 70.0 120.0 +C6R C6R CF2 70.0 120.0 +C6R C6R CF3 70.0 120.0 +C6R C6R CQ66 70.0 123.0 +C6R C6R CR56 70.0 120.0 +C6R C6R CR66 70.0 123.0 +C6R C6R CS66 70.0 123.0 +C6R C6R CT 70.0 122.0 +C6R C6R CT3 70.0 122.0 +C6R C6R CUA1 90.0 120.0 +C6R C6R CUA2 90.0 120.0 +C6R C6R CUA3 90.0 120.0 +C6R C6R CUY1 90.0 118.0 +C6R C6R 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106.0 +C5R N5RP C5RP 70.0 127.0 +C5R N5RP C6RP 70.0 127.0 +C5R N5RP CR55 70.0 106.0 +C5R N5RP CR56 70.0 106.0 +C5R N5RP N5R 70.0 106.0 +C5R N5RP O5R 70.0 106.0 +C5R N5RP S5R 70.0 106.0 +C5RP N5RP CR55 70.0 106.0 +C5RP N5RP CR56 70.0 106.0 +C5RP N5RP N5R 70.0 106.0 +C6RP N5RP N5R 70.0 127.0 +C N6R C 116.0 126.4 +C N6R C6R 116.0 125.3 +C N6R C6RE 116.0 125.3 +C N6R CH1E 70.0 117.6 +C N6R CH3E 70.0 120.0 +C N6R CQ66 70.0 120.0 +C N6R CR56 70.0 120.0 +C N6R CR66 70.0 120.0 +C N6R CS66 70.0 120.0 +C N6R CT 70.0 120.0 +C N6R CUA1 70.0 120.0 +C N6R CUA2 70.0 120.0 +C N6R CUA3 70.0 120.0 +C N6R H 35.0 119.3 +C N6R NR56 70.0 120.0 +C N6R NR66 70.0 120.0 +C N6R P6R 70.0 120.0 +C N6R S6R 116.0 125.3 +C N6R SO2 116.0 125.3 +C5R N6R CR56 70.0 120.0 +C5R N6R N6R 70.0 120.0 +C5R N6R NR56 70.0 120.0 +C6R N6R C6R 70.0 115.5 +C6R N6R C6RE 70.0 120.0 +C6R N6R C6RP 70.0 120.0 +C6R N6R C6RQ 70.0 120.0 +C6R N6R CQ66 70.0 120.0 +C6R N6R CR56 70.0 120.0 +C6R N6R CR66 70.0 120.0 +C6R N6R CS66 70.0 120.0 +C6R N6R N5R 70.0 120.0 +C6R N6R N6R 70.0 108.0 +C6R N6R NR56 70.0 120.0 +C6R N6R NR66 70.0 120.0 +C6R N6R O 70.0 120.0 +C6R N6R P6R 70.0 120.0 +C6RE N6R C6RE 65.0 120.0 +C6RE N6R CQ66 65.0 120.0 +C6RE N6R CR66 65.0 120.0 +C6RP N6R C6RP 70.0 120.0 +C6RP N6R CR56 70.0 120.0 +C6RP N6R N5R 70.0 120.0 +C6RP N6R NR56 70.0 120.0 +C6RP N6R NR66 70.0 120.0 +CH1E N6R C6R 70.0 120.0 +CH1E N6R C6RE 70.0 120.0 +CH1E N6R CR56 70.0 120.0 +CH1E N6R CR66 70.0 120.0 +CH1E N6R NR66 70.0 120.0 +CH2E N6R C6R 70.0 120.0 +CH2E N6R C6RE 70.0 120.0 +CH2E N6R CR56 70.0 120.0 +CH2E N6R CR66 70.0 120.0 +CH2E N6R NR66 70.0 120.0 +CH3E N6R C6R 70.0 120.0 +CH3E N6R C6RE 70.0 120.0 +CH3E N6R CR56 70.0 120.0 +CH3E N6R CR66 70.0 120.0 +CH3E N6R NR66 70.0 120.0 +CR56 N6R C6RE 70.0 111.0 +CR56 N6R N5R 70.0 120.0 +CR56 N6R N6R 70.0 120.0 +CR56 N6R N6RP 70.0 120.0 +CR66 N6R C6RP 65.0 120.0 +CR66 N6R C6RQ 65.0 120.0 +CR66 N6R CR66 65.0 120.0 +CT N6R C6R 70.0 120.0 +CT N6R C6RE 70.0 120.0 +CT N6R CQ66 70.0 120.0 +CT N6R CR56 70.0 120.0 +CT N6R CR66 70.0 120.0 +CT N6R CS66 70.0 120.0 +CT N6R CUA1 70.0 120.0 +CT N6R CUA2 70.0 120.0 +CT N6R CUA3 70.0 120.0 +CT N6R NR56 70.0 120.0 +CT N6R NR66 70.0 120.0 +H N6R C6R 30.0 120.0 +H N6R C6RE 30.0 120.0 +H N6R CQ66 30.0 120.0 +H N6R CR56 30.0 120.0 +H N6R CR66 30.0 120.0 +H N6R CS66 30.0 120.0 +H N6R NR56 30.0 120.0 +H N6R NR66 30.0 120.0 +H N6R S6R 30.0 120.0 +H N6R SO1 30.0 120.0 +H N6R SO2 30.0 120.0 +H N6R SO3 30.0 120.0 +C6R N6RP C6R 70.0 120.0 +C6R N6RP C6RP 70.0 120.0 +C6R N6RP C6RQ 70.0 120.0 +C6R N6RP CR66 70.0 120.0 +C6R N6RP N6R 70.0 120.0 +C6RE N6RP C6RE 65.0 120.0 +C6RP N6RP C6RP 70.0 120.0 +C6RP N6RP N5R 70.0 120.0 +C6RP N6RP NR66 70.0 120.0 +CR66 N6RP C6RP 65.0 120.0 +CR66 N6RP C6RQ 65.0 120.0 +CR66 N6RP CR66 65.0 120.0 +C NC CT 44.0 117.6 +HC NC C 35.0 120.0 +HC NC CT 35.0 120.0 +HC NC HC 40.0 120.0 +C NO2 O 65.0 117.0 +C5R NO2 O 58.0 117.0 +C6R NO2 O 58.0 117.0 +CH1E NO2 O 58.0 117.0 +CH2E NO2 O 58.0 117.0 +CH3E NO2 O 58.0 117.0 +CT NO2 O 58.0 117.0 +N NO2 O 58.0 117.0 +NP NO2 O 180.0 117.0 +O NO2 O 160.0 127.0 +OE NO2 O 58.0 111.5 +C NP C 60.0 120.0 +C NP C5R 60.0 120.0 +C NP C6R 60.0 120.0 +C NP CF1 60.0 115.0 +C NP CF2 60.0 115.0 +C NP CF3 60.0 115.0 +C NP CH1E 44.0 117.6 +C NP CH2E 44.0 117.6 +C NP CH3E 44.0 117.6 +C NP CR56 70.0 120.0 +C NP CR66 60.0 120.0 +C NP CT 44.0 117.6 +C NP CUA1 60.0 120.0 +C NP CUA2 60.0 120.0 +C NP CUA3 60.0 120.0 +C NP CUY1 60.0 120.0 +C NP N 50.0 120.0 +C NP N5R 50.0 107.0 +C NP NO2 50.0 126.0 +C NP NP 80.0 120.0 +C NP NT 60.0 120.0 +C NP OE 50.0 120.0 +C NP OS 50.0 120.0 +C NP OT 50.0 120.0 +C NP SO2 60.0 115.0 +C NP SO3 60.0 120.0 +C NP XCL 60.0 120.0 +C5R NP CT 80.0 120.0 +C5R NP OT 65.0 120.0 +C5R NP SO1 80.0 120.0 +C5R NP SO2 80.0 120.0 +C6R NP C6R 80.0 120.0 +C6R NP CF1 80.0 120.0 +C6R NP CF2 80.0 120.0 +C6R NP CF3 80.0 120.0 +C6R NP CT 80.0 120.0 +C6R NP CUA1 60.0 120.0 +C6R NP CUA2 60.0 120.0 +C6R NP CUA3 60.0 120.0 +C6R NP N 60.0 180.0 +C6R NP NP 50.0 120.0 +C6R NP NT 60.0 120.0 +C6R NP OT 50.0 120.0 +C6R NP PUA1 50.0 120.0 +C6R NP SO2 50.0 120.0 +C6R NP SO3 50.0 120.0 +C6R NP XCL 60.0 120.0 +CH1E NP C5R 77.5 120.0 +CH1E NP C6R 77.5 120.0 +CH1E NP CH1E 60.0 120.0 +CH1E NP CH2E 60.0 120.0 +CH1E NP CH3E 60.0 120.0 +CH1E NP CT 60.0 120.0 +CH1E NP CUA1 77.5 120.0 +CH1E NP CUA2 77.5 120.0 +CH1E NP CUA3 77.5 120.0 +CH1E NP PT 60.0 120.0 +CH1E NP SO1 60.0 120.0 +CH1E NP SO2 60.0 120.0 +CH2E NP C5R 77.5 120.0 +CH2E NP C6R 77.5 120.0 +CH2E NP CH2E 60.0 120.0 +CH2E NP CH3E 60.0 120.0 +CH2E NP CT 60.0 120.0 +CH2E NP CUA1 77.5 120.0 +CH2E NP CUA2 77.5 120.0 +CH2E NP CUA3 77.5 120.0 +CH2E NP PT 55.0 120.0 +CH2E NP SO1 60.0 120.0 +CH2E NP SO2 60.0 120.0 +CH3E NP C5R 77.5 120.0 +CH3E NP C6R 77.5 120.0 +CH3E NP CH3E 60.0 120.0 +CH3E NP CT 60.0 120.0 +CH3E NP CUA1 77.5 120.0 +CH3E NP CUA2 77.5 120.0 +CH3E NP CUA3 77.5 120.0 +CH3E NP PT 55.0 120.0 +CH3E NP SO1 60.0 120.0 +CH3E NP SO2 60.0 120.0 +CT NP CT 80.0 120.5 +CT NP CUA1 80.0 120.0 +CT NP CUA2 80.0 120.0 +CT NP CUA3 80.0 120.0 +CT NP CUY1 60.0 120.0 +CT NP CUY2 60.0 120.0 +CT NP N 50.0 120.0 +CT NP NO2 40.0 120.5 +CT NP NP 60.0 120.0 +CT NP NT 50.0 120.0 +CT NP OT 50.0 120.0 +CT NP SO1 60.0 120.0 +CT NP SO2 43.0 120.0 +CT NP SO3 43.0 120.0 +CT NP XCL 60.0 120.0 +CT4 NP C 44.0 117.6 +CUA1 NP CUA1 60.0 120.0 +CUA1 NP NP 60.0 120.0 +CUA1 NP SO2 80.0 120.0 +CUA2 NP NP 60.0 120.0 +CUA2 NP SO2 80.0 120.0 +H NP C 18.0 119.7 +H NP C5R 30.0 120.0 +H NP C6R 30.0 120.0 +H NP CF1 23.0 120.0 +H NP CF2 23.0 120.0 +H NP CF3 23.0 120.0 +H NP CH1E 23.0 120.8 +H NP CH2E 23.0 120.8 +H NP CH3E 23.0 120.8 +H NP CT 18.0 119.8 +H NP CT4 23.0 120.8 +H NP CUA1 35.0 120.0 +H NP CUA2 35.0 120.0 +H NP CUA3 35.0 120.0 +H NP CUY1 35.0 120.0 +H NP H 18.0 117.6 +H NP N 35.0 126.0 +H NP NO2 35.0 120.0 +H NP NP 35.0 120.0 +H NP NT 35.0 120.0 +H NP OT 35.0 120.0 +H NP PT 35.0 120.0 +H NP SO1 30.0 120.0 +H NP SO2 30.0 120.0 +MCU NP C 80.0 120.0 +MCU NP N 80.0 120.0 +NP NP NT 50.0 115.0 +NP NP OE 50.0 120.0 +NP NP PUA1 50.0 120.0 +OT NP CH1E 50.0 120.0 +OT NP CH2E 50.0 120.0 +OT NP N 50.0 120.0 +SO3 NP H 40.0 120.0 +CPH1 NR1 CPH2 130.0 107.5 +CPH1 NR1 H 30.0 125.5 +CPH2 NR1 H 30.0 127.0 +CPH1 NR2 CPH2 130.0 104.0 +CPH1 NR3 CPH2 145.0 108.0 +CPH1 NR3 H 25.0 126.0 +CPH2 NR3 H 25.0 126.0 +C5RE NR55 C5R 65.0 133.0 +C5RE NR55 CR55 65.0 107.0 +C5RE NR55 N5R 65.0 107.0 +C5RP NR55 C5R 70.0 133.0 +C5RP NR55 C5RP 70.0 133.0 +C5RP NR55 C5RQ 70.0 133.0 +C5RP NR55 CR55 70.0 107.0 +C5R NR56 C6R 70.0 134.0 +C5R NR56 CR56 70.0 106.0 +C5R NR56 N6R 70.0 134.0 +C5RP NR56 C6R 70.0 133.0 +C5RP NR56 C6RP 70.0 133.0 +C5RP NR56 C6RQ 70.0 133.0 +C5RP NR56 CR56 70.0 107.0 +C6R NR56 CR56 70.0 120.0 +C6R NR56 N5R 70.0 134.0 +C6RP NR56 CR56 70.0 120.0 +C6RP NR56 N5R 70.0 134.0 +CR56 NR56 N6R 70.0 120.0 +N5R NR56 CR56 70.0 106.0 +C6R NR66 C6R 70.0 120.0 +C6R NR66 C6RP 70.0 120.0 +C6R NR66 C6RQ 70.0 120.0 +C6R NR66 CQ66 70.0 120.0 +C6R NR66 CR56 70.0 120.0 +C6R NR66 CR66 70.0 120.0 +C6R NR66 CS66 70.0 120.0 +C6R NR66 N6R 70.0 120.0 +C6R NR66 N6RP 70.0 120.0 +C6RE NR66 C6RE 65.0 120.0 +C6RE NR66 CQ66 65.0 120.0 +C6RE NR66 CR66 65.0 120.0 +C6RP NR66 C6RP 70.0 120.0 +C6RP NR66 N6R 70.0 120.0 +C NT C5R 35.0 109.47 +C NT C6R 35.0 109.47 +C NT CF1 35.0 109.47 +C NT CF2 35.0 109.47 +C NT CF3 35.0 109.47 +C NT CH1E 35.0 109.47 +C NT CH2E 35.0 109.47 +C NT CH3E 35.0 109.47 +C NT CT 35.0 109.47 +C NT CUA1 35.0 109.47 +C NT CUA2 35.0 109.47 +C NT CUA3 35.0 109.47 +C NT N 35.0 109.47 +C5R NT C5R 35.0 109.47 +C5R NT C6R 35.0 109.47 +C6R NT C6R 35.0 109.47 +C6R NT CF1 35.0 109.47 +C6R NT CF2 35.0 109.47 +C6R NT CF3 35.0 109.47 +C6R NT CH2E 35.0 109.47 +C6R NT CT 35.0 109.47 +C6R NT MAL 35.0 109.47 +CF1 NT CF1 56.0 106.0 +CF1 NT CF2 56.0 106.0 +CF1 NT CF3 56.0 106.0 +CF1 NT CT 56.0 106.0 +CF2 NT CF2 56.0 106.0 +CF2 NT CF3 56.0 106.0 +CH1E NT C5R 35.0 109.47 +CH1E NT C6R 35.0 109.47 +CH1E NT CH1E 35.0 109.47 +CH1E NT CH2E 35.0 109.47 +CH1E NT CH3E 35.0 109.47 +CH1E NT CT 35.0 109.47 +CH1E NT CUA1 30.0 109.47 +CH1E NT CUA2 30.0 109.47 +CH1E NT CUA3 30.0 109.47 +CH2E NT C5R 35.0 109.47 +CH2E NT CH2E 35.0 109.47 +CH2E NT CH3E 35.0 109.47 +CH2E NT CT 35.0 109.47 +CH2E NT CUA1 30.0 109.47 +CH2E NT CUA2 30.0 109.47 +CH2E NT CUA3 30.0 109.47 +CH3E NT C5R 35.0 109.47 +CH3E NT C6R 35.0 109.47 +CH3E NT CH3E 35.0 109.47 +CH3E NT CT 35.0 109.47 +CT NT C5R 35.0 109.47 +CT NT CT 35.0 110.5 +CT NT CT4 56.0 110.5 +CT NT LP 55.0 109.47 +CT NT MAL 35.0 109.47 +CT NT MSI 35.0 118.5 +CT NT NP 35.0 109.47 +CT NT NT 45.0 105.00 +CT NT O 45.0 109.47 +CT NT OE 35.0 109.47 +CT NT PT 55.0 109.47 +CT NT SO2 95.0 118.00 +CT NT SO3 95.0 118.0 +CT NT XCL 60.0 107.1 +CT3 NT CT3 45.0 60.0 +CT4 NT CT4 45.0 114.5 +CT4 NT NT 45.0 114.5 +CUA1 NT CT 35.0 109.47 +CUA1 NT CUA1 35.0 109.47 +CUA1 NT CUA2 35.0 109.47 +CUA1 NT CUA3 35.0 109.47 +CUA1 NT H 35.0 109.47 +CUA1 NT NP 35.0 109.47 +CUA2 NT CT 35.0 109.47 +CUA2 NT CUA2 35.0 109.47 +CUA2 NT H 35.0 109.47 +H NT C 35.0 109.47 +H NT C5R 35.0 109.47 +H NT C6R 35.0 109.47 +H NT CF1 35.0 109.47 +H NT CF2 35.0 109.47 +H NT CF3 35.0 109.47 +H NT CH1E 35.0 109.47 +H NT CH2E 35.0 109.47 +H NT CH3E 35.0 109.47 +H NT CT 42.0 110.5 +H NT CT3 35.0 107.0 +H NT CT4 35.0 107.0 +H NT H 42.0 106.9 +H NT HC 35.0 107.0 +H NT LP 55.0 109.47 +H NT N 35.0 109.47 +H NT NP 35.0 120.00 +H NT NT 48.0 109.47 +H NT OE 35.0 109.47 +H NT PT 45.0 109.47 +HC NT CH1E 35.0 109.47 +HC NT CH2E 35.0 109.47 +HC NT CH3E 35.0 109.47 +HC NT CT 35.0 109.47 +HC NT HC 40.0 109.47 +NP NT NP 35.0 107.00 +MAL NT MAL 55.0 109.47 +MCU NT C6R 72.0 130.0 +MCU NT CT 72.0 130.0 +MCU NT H 35.0 109.5 +MCU NT HC 35.0 107.0 +MCU NT NP 72.0 130.0 +MCU NT NT 72.0 130.0 +MSI NT MSI 26.0 127.7 +SO2 NT C 35.0 109.47 +SO2 NT C5R 50.0 120.0 +SO2 NT C6R 50.0 120.0 +SO2 NT CH1E 50.0 120.0 +SO2 NT CH2E 50.0 120.0 +SO2 NT CH3E 50.0 120.0 +SO2 NT H 50.0 109.47 +SO2 NT OE 45.0 104.00 +SO3 NT H 50.0 109.47 +C NX C 60.0 120.0 +C NX CH1E 50.0 121.0 +C NX CH2E 50.0 126.0 +C NX CP3 65.0 120.0 +C NX CT 65.0 117.6 +C NX CUA1 50.0 126.0 +C NX CUA2 50.0 126.0 +C NX CUA3 50.0 126.0 +C NX H 32.0 126.0 +C4 NX CT 45.0 135.0 +C4 NX CT4 45.0 90.0 +C4 NX CUA1 45.0 118.0 +C4 NX H 35.0 135.0 +C4 NX OE 45.0 135.0 +C4 NX SO3 45.0 135.0 +C6R NX C 60.0 120.0 +C6R NX CT 60.0 120.0 +CH1E NX CH1E 60.0 120.0 +CH1E NX CH2E 70.0 120.0 +CH1E NX CT 60.0 120.0 +CH2E NX CH2E 60.0 120.0 +CH2E NX CT 60.0 120.0 +CT NX CP3 95.0 120.0 +CT NX CT 95.0 117.0 +CT NX CT3 45.0 60.0 +CT NX CT4 45.0 135.0 +CT NX CUA1 60.0 120.0 +CT NX H 32.0 126.0 +CT3 NX H 35.0 150.0 +CT4 NX CUA1 55.0 110.0 +CT4 NX H 35.0 135.0 +CT4 NX OE 45.0 135.0 +CT4 NX SO3 45.0 135.0 +CUA2 NX CUA2 50.0 109.0 +PT NX C 60.0 180.0 +PT NX PT 60.0 180.0 +C O LP 55.0 120.0 +LP O LP 55.0 120.0 +MCU O C 100.0 130.0 +MAL O2M MAL 58.0 141.5 +MAL O2M MSI 58.0 141.5 +MSI O2M MSI 0.0 0.0 +MSI O2M OSH 0.0 0.0 +OSH O2M OSH 0.0 0.0 +C5R O5R C5R 100.0 106.0 +C5R O5R C5RE 70.0 106.0 +C5R O5R C5RP 70.0 106.0 +C5R O5R C5RQ 70.0 106.0 +C5R O5R CR55 100.0 108.0 +C5R O5R CR56 100.0 108.0 +C5R O5R N5R 70.0 108.0 +C5R O5R N5RP 70.0 106.0 +C5R O5R NR55 70.0 107.0 +C5R O5R S5R 70.0 107.0 +C5RE O5R C5RE 65.0 106.0 +C5RE O5R CR55 65.0 106.0 +C5RE O5R CR56 65.0 106.0 +C5RP O5R C5RP 70.0 106.0 +C5RP O5R C5RQ 70.0 106.0 +C5RP O5R CR55 70.0 106.0 +C5RP O5R CR56 70.0 106.0 +CH1E O5R C5R 70.0 127.0 +CH1E O5R C5RE 70.0 127.0 +CH1E O5R C5RP 70.0 127.0 +CH1E O5R CR55 70.0 127.0 +CH1E O5R CR56 70.0 127.0 +CH2E O5R C5R 70.0 127.0 +CH2E O5R C5RE 70.0 127.0 +CH2E O5R C5RP 70.0 127.0 +CH2E O5R CR55 70.0 127.0 +CH2E O5R CR56 70.0 127.0 +CH3E O5R C5R 70.0 127.0 +CH3E O5R C5RE 70.0 127.0 +CH3E O5R C5RP 70.0 127.0 +CH3E O5R CR55 70.0 127.0 +CH3E O5R CR56 70.0 127.0 +CR56 O5R CR56 100.0 108.0 +CT O5R C5R 70.0 127.0 +CT O5R C5RP 70.0 127.0 +CT O5R C5RQ 70.0 127.0 +CT O5R C6RE 70.0 127.0 +CT O5R CR55 70.0 127.0 +CT O5R CR56 70.0 127.0 +H O5R C5R 30.0 127.0 +H O5R C5RE 30.0 127.0 +H O5R C5RP 30.0 127.0 +H O5R C5RQ 30.0 127.0 +H O5R CR55 30.0 127.0 +H O5R CR56 30.0 127.0 +FE O5R C5R 0.0 127.0 +N5R O5R N5R 90.0 106.0 +C6R O6R C6R 60.0 120.0 +C6R O6R CQ66 60.0 120.0 +C6R O6R CR66 60.0 120.0 +C6R O6R CS66 60.0 120.0 +C6RE O6R C6RE 65.0 120.0 +CR66 O6R CR66 70.0 120.0 +CR66 OC C6RP 70.0 120.0 +B OE CT 45.0 130.0 +C OE C 116.0 126.4 +C OE C6R 122.0 118.0 +C OE C6RE 116.0 125.3 +C OE CF1 70.0 120.0 +C OE CF2 70.0 120.0 +C OE CF3 70.0 120.0 +C OE CH1E 70.0 117.6 +C OE CH3E 70.0 120.0 +C OE CT 70.0 120.0 +C OE CUA1 70.0 120.0 +C OE CUA2 70.0 120.0 +C OE CUA3 70.0 120.0 +C OE H 35.0 119.3 +C OE S6R 116.0 125.3 +C OE SO1 116.0 125.3 +C OE SO2 116.0 125.3 +C OE SO3 116.0 125.3 +C5R OE C5R 61.0 110.0 +C5R OE C6R 61.0 110.0 +C6R OE C6R 61.0 110.0 +C6R OE C6RE 70.0 120.0 +C6R OE CQ66 70.0 120.0 +C6R OE CR56 70.0 120.0 +C6R OE CR66 70.0 120.0 +C6R OE CUA1 70.0 120.0 +C6R OE CUA2 70.0 120.0 +C6R OE CUA3 70.0 120.0 +C6R OE MSI 58.0 118.0 +C6R OE NP 60.0 110.0 +C6R OE SO3 61.0 110.0 +C6R OE SO4 61.0 110.0 +C6RE OE C6RE 65.0 120.0 +C6RE OE C6RP 65.0 120.0 +C6RE OE CR56 65.0 120.0 +C6RE OE CR66 65.0 120.0 +CF1 OE CF1 85.0 111.0 +CF1 OE CF2 85.0 111.0 +CF1 OE CF3 85.0 111.0 +CF1 OE CT 85.0 111.0 +CF1 OE XF 85.0 100.8 +CF2 OE CF2 85.0 111.0 +CF2 OE CF3 85.0 111.0 +CF2 OE CT 85.0 111.0 +CF2 OE XF 85.0 100.8 +CF3 OE CF3 85.0 109.5 +CF3 OE CT 85.0 111.0 +CF3 OE XF 85.0 100.8 +CH1E OE C5R 61.0 110.0 +CH1E OE C5RE 122.0 118.0 +CH1E OE C5RP 122.0 118.0 +CH1E OE C6R 61.0 110.0 +CH1E OE C6RE 122.0 118.0 +CH1E OE C6RP 122.0 118.0 +CH1E OE CH1E 70.0 112.0 +CH1E OE CH2E 70.0 108.0 +CH1E OE CH3E 70.0 111.0 +CH1E OE CR55 122.0 118.0 +CH1E OE CR56 122.0 118.0 +CH1E OE CR66 122.0 118.0 +CH1E OE CT 70.0 111.0 +CH2E OE C5R 61.0 110.0 +CH2E OE C5RE 122.0 118.0 +CH2E OE C5RP 122.0 118.0 +CH2E OE C6R 61.0 110.0 +CH2E OE C6RE 122.0 118.0 +CH2E OE C6RP 122.0 118.0 +CH2E OE CH2E 70.0 111.0 +CH2E OE CH3E 70.0 111.0 +CH2E OE CR55 122.0 118.0 +CH2E OE CR56 122.0 118.0 +CH2E OE CR66 122.0 118.0 +CH2E OE CT 70.0 111.0 +CH3E OE C5R 61.0 110.0 +CH3E OE C5RE 122.0 118.0 +CH3E OE C5RP 122.0 118.0 +CH3E OE C6R 61.0 110.0 +CH3E OE C6RE 122.0 118.0 +CH3E OE C6RP 122.0 118.0 +CH3E OE CH3E 70.0 111.0 +CH3E OE CR55 122.0 118.0 +CH3E OE CR56 122.0 118.0 +CH3E OE CR66 122.0 118.0 +CH3E OE CT 70.0 111.0 +CR66 OE CR66 70.0 120.0 +CT OE C5R 61.0 110.0 +CT OE C5RE 122.0 118.0 +CT OE C5RP 122.0 118.0 +CT OE C5RQ 122.0 118.0 +CT OE C6R 61.0 108.0 +CT OE C6RE 122.0 118.0 +CT OE C6RP 122.0 118.0 +CT OE CR55 122.0 118.0 +CT OE CR56 122.0 118.0 +CT OE CR66 122.0 118.0 +CT OE CT 58.0 112.4 +CT OE CUA1 70.0 112.5 +CT OE CUA2 70.0 112.5 +CT OE CUA3 70.0 112.5 +CT OE MSI 58.0 118.0 +CT OE N 50.0 110.0 +CT OE NO2 61.0 110.0 +CT OE NP 50.0 110.0 +CT OE NT 50.0 108.0 +CT OE PT 50.0 110.0 +CT OE SE 50.0 110.0 +CT OE SO3 60.0 118.0 +CT OE SO4 60.0 118.0 +CT3 OE CT3 45.0 60.0 +CT4 OE CT4 45.0 95.0 +CT4 OE CUA1 45.0 112.5 +SH1E FE NP 50.0 90.0! Added 5-13-02 by Karl Clodfelter from 1bu7a +CH2E SH1E FE 50.0 105.2 +CUA1 OE CUA1 70.0 109.47 +CUA1 OE CUA2 70.0 109.47 +CUA1 OE MSI 70.0 130.0 +CUA1 OE N 70.0 111.0 +CUA1 OE NP 70.0 111.0 +H OE C6R 50.0 109.47 +H OE CT 50.0 109.47 +MAL OE MAL 55.0 120.0 +MCU OE C6R 100.0 128.6 +MCU OE CT 100.0 128.6 +FE OE CT 0.0 118.0 +MSE OE MSE 45.0 142.0 +NO2 OE NO2 50.0 110.0 +NX OE SO4 65.0 110.0 +H OH1 C6R 50.0 109.47 +H OH2 H 55.0 109.47122 +H OH2 LP 55.0 109.47122 +LP OH2 LP 55.0 109.47122 +FE OM OM 0.0 180.0 +C OS C 116.0 120.4 +C OS C5R 70.0 117.0 +C OS C6R 70.0 117.0 +C OS C6RE 70.0 119.0 +C OS CF1 75.0 120.0 +C OS CF2 75.0 120.0 +C OS CF3 75.0 120.0 +C OS CH1E 46.5 120.5 +C OS CH2E 46.5 120.5 +C OS CH3E 46.5 120.5 +C OS CT 83.0 115.9 +C OS CT4 83.0 114.5 +C OS CUA1 70.0 120.0 +C OS CUA2 70.0 120.0 +C OS CUA3 70.0 120.0 +C OS CUY1 70.0 119.0 +C OS H 35.0 119.3 +C OS S6R 116.0 125.3 +C OS SO1 116.0 125.3 +C OS SO2 116.0 125.3 +C OS SO3 116.0 125.3 +C5R OS C5R 122.0 118.0 +C5R OS C6R 122.0 118.0 +C5R OS PO4 85.0 118.0 +C5R OS SO4 47.6 120.5 +C6R OS C6R 122.0 118.0 +C6R OS C6RE 70.0 120.0 +C6R OS CQ66 70.0 120.0 +C6R OS CR56 70.0 120.0 +C6R OS CR66 70.0 120.0 +C6R OS OS 70.0 110.0 +C6R OS PO3 85.0 118.0 +C6R OS PO4 85.0 118.0 +C6R OS PT 85.0 118.0 +C6R OS SO4 47.6 120.5 +C6RE OS C6RE 65.0 120.0 +C6RE OS C6RP 65.0 120.0 +C6RE OS CR56 65.0 120.0 +C6RE OS CR66 65.0 120.0 +CH1E OS C5R 122.0 118.0 +CH1E OS C5RE 122.0 118.0 +CH1E OS C5RP 122.0 118.0 +CH1E OS C6R 122.0 118.0 +CH1E OS C6RE 122.0 118.0 +CH1E OS C6RP 122.0 118.0 +CH1E OS CH1E 70.0 111.0 +CH1E OS CH2E 70.0 111.0 +CH1E OS CH3E 70.0 111.0 +CH1E OS CR55 122.0 118.0 +CH1E OS CR56 122.0 118.0 +CH1E OS CR66 122.0 118.0 +CH1E OS CT 70.0 111.0 +CH1E OS PO4 85.0 118.0 +CH1E OS SO4 47.6 120.5 +CH2E OS C5R 122.0 118.0 +CH2E OS C5RE 122.0 118.0 +CH2E OS C5RP 122.0 118.0 +CH2E OS C6R 122.0 118.0 +CH2E OS C6RE 122.0 118.0 +CH2E OS C6RP 122.0 118.0 +CH2E OS CH2E 70.0 111.0 +CH2E OS CH3E 70.0 111.0 +CH2E OS CR55 122.0 118.0 +CH2E OS CR56 122.0 118.0 +CH2E OS CR66 122.0 118.0 +CH2E OS CT 70.0 111.0 +CH2E OS PO4 85.0 118.0 +CH2E OS SO4 47.6 120.5 +CH3E OS C5R 122.0 118.0 +CH3E OS C5RE 122.0 118.0 +CH3E OS C5RP 122.0 118.0 +CH3E OS C6R 122.0 118.0 +CH3E OS C6RE 122.0 118.0 +CH3E OS C6RP 122.0 118.0 +CH3E OS CH3E 70.0 111.0 +CH3E OS CR55 122.0 118.0 +CH3E OS CR56 122.0 118.0 +CH3E OS CR66 122.0 118.0 +CH3E OS CT 70.0 111.0 +CH3E OS PO4 85.0 118.0 +CH3E OS SO4 47.6 120.5 +CR66 OS CR66 70.0 120.0 +CT OS C5R 122.0 118.0 +CT OS C5RE 122.0 118.0 +CT OS C5RP 122.0 118.0 +CT OS C5RQ 122.0 118.0 +CT OS C6R 122.0 118.0 +CT OS C6RE 122.0 118.0 +CT OS C6RP 122.0 118.0 +CT OS CR55 122.0 118.0 +CT OS CR56 122.0 118.0 +CT OS CR66 122.0 118.0 +CT OS CT 70.0 111.0 +CT OS CUA1 70.0 111.0 +CT OS CUA2 70.0 111.0 +CT OS CUA3 70.0 111.0 +CT OS MAL 60.0 122.0 +CT OS MAS 60.0 122.0 +CT OS MSI 58.0 122.0 +CT OS OS 60.0 105.0 +CT OS PO4 85.0 118.0 +CT OS PT 85.0 118.0 +CT OS SO4 47.6 120.5 +H OS MAS 50.0 110.0 +H OS MSI 46.0 110.0 +H OS OS 50.0 110.0 +H OS PO4 58.0 111.5 +MAL OS MAL 62.0 138.0 +FE OS CT 0.0 118.0 +OS OS OS 70.0 119.0 +PO3 OS CT 50.0 111.5 +PO4 OS PO3 50.0 111.5 +PO4 OS PO4 50.0 131.0 +MSI OSH MSI 0.0 0.0 +MSI OSH O2M 0.0 0.0 +O2M OSH O2M 0.0 0.0 +MSI OSI MSI 7.5 149.0 +H OT B 45.0 112.0 +H OT C 57.0 112.5 +H OT C5R 50.0 109.47 +H OT C6R 50.0 109.47 +H OT CF1 58.0 106.0 +H OT CF2 58.0 106.0 +H OT CF3 58.0 106.0 +H OT CH1E 53.0 110.0 +H OT CH2E 53.0 110.0 +H OT CH3E 49.0 110.0 +H OT CT 58.0 106.0 +H OT CUA1 40.0 110.00 +H OT CUA2 49.0 110.0 +H OT CUA3 49.0 110.0 +H OT MAL 46.0 110.0 +H OT MAS 50.0 110.0 +H OT MSI 46.0 110.0 +H OT N 50.0 105.0 +H OT NP 50.0 112.5 +H OT PO3 58.0 111.5 +H OT PO4 58.0 111.5 +H OT PT 58.0 111.5 +H OT SO3 55.0 110.0 +H OT SO4 55.0 112.0 +HO OT C6R 50.0 109.47 +HO OT CH1E 53.0 106.7 +HO OT CH2E 53.0 106.7 +HO OT CH3E 53.0 106.7 +HO OT CT 59.0 106.7 +HO OT NP 50.0 106.7 +HO OT MSI 25.0 117.5 +HT OT HT 55.0 104.5 +CH3E OT CH3E 70.0 111.0 +HT OW HT 55.0 104.5 +C6R P6R C6R 70.0 120.0 +C6R PO3 O 135.0 113.0 +C6R PO3 OS 75.0 109.47 +C6R PO3 OT 75.0 109.47 +CT PO3 O 135.0 113.0 +CT PO3 OC 75.0 109.47 +CT PO3 OS 75.0 109.47 +CT PO3 OT 75.0 109.47 +O PO3 SK 50.0 102.6 +OC PO3 OC 144.0 109.47 +OS PO3 O 135.0 113.0 +OS PO3 OC 65.0 109.47 +OS PO3 OS 50.0 102.6 +OS PO3 OT 50.0 102.6 +OS PO3 SK 50.0 102.6 +OT PO3 O 135.0 113.0 +OT PO3 OT 78.1 109.47 +O PO4 OC 135.0 113.0 +O PO4 OS 135.0 113.0 +O PO4 OT 135.0 113.0 +OC PO4 OC 144.0 109.47 +OC PO4 OT 95.0 117.0 +OS PO4 OC 78.0 105.0 +OS PO4 OS 78.1 109.47 +OT PO4 OS 78.1 109.47 +OT PO4 OT 78.0 109.47 +C PT CT 29.0 120.0 +C PT NP 70.0 108.0 +C5R PT C5R 38.0 109.47 +C5R PT C6R 38.0 109.47 +C5R PT CT 38.0 109.47 +C6R PT C6R 65.0 103.5 +C6R PT CT 55.0 109.47 +C6R PT O 75.0 109.47 +C6R PT OS 55.0 109.47 +CH1E PT NP 55.0 109.47 +CH1E PT OC 55.0 109.47 +CH2E PT NP 55.0 109.47 +CH2E PT OC 55.0 109.47 +CH3E PT NP 55.0 109.47 +CT PT CT 35.0 99.0 +CT PT H 40.0 93.5 +CT PT MAL 30.0 95.0 +CT PT MRH 30.0 95.0 +CT PT MSI 30.0 92.0 +CT PT O 55.0 110.80 +CT PT OS 55.0 109.47 +CT PT OT 55.0 109.47 +CT PT PT 55.0 100.0 +CT PT SE 50.0 113.0 +CT PT SK 50.0 110.8 +CT PT XBR 35.0 113.0 +CT PT XCL 50.0 113.0 +CT PT XF 65.0 113.0 +CT PT XI 35.0 113.0 +CUA1 PT XCL 60.0 98.0 +CUA1 PT XF 60.0 93.0 +CUY1 PT CT 60.0 98.0 +CUY1 PT XCL 60.0 98.0 +CUY1 PT XF 60.0 98.0 +H PT H 55.0 93.0 +H PT PT 55.0 91.7 +MSE PT XF 45.0 110.0 +MSI PT MSI 36.0 90.5 +NP PT O 55.0 109.47 +NP PT OC 55.0 109.47 +NP PT OS 55.0 109.47 +NP PT SE 55.0 109.47 +NT PT CT 55.0 109.47 +NT PT NT 55.0 91.5 +NT PT O 55.0 109.47 +NT PT OS 55.0 91.5 +NT PT XCL 55.0 100.0 +NX PT C6R 60.0 120.0 +O PT O 135.0 110.0 +OC PT OC 55.0 109.47 +OC PT SE 55.0 109.47 +OE PT NT 55.0 90.5 +OE PT XCL 55.0 100.0 +OS PT O 75.0 110.0 +OS PT OS 55.0 109.47 +OS PT SK 75.0 109.47 +OS PT ST 55.0 109.47 +OS PT XCL 55.0 100.0 +OT PT O 75.0 110.0 +OT PT OT 78.1 109.47 +PT PT PT 55.0 109.47 +PT PT SE 55.0 109.47 +PT PT ST 55.0 109.47 +PT PT XF 55.0 95.0 +SE PT SE 55.0 100.5 +SE PT XBR 55.0 100.5 +SE PT XCL 55.0 100.5 +SE PT XF 55.0 107.50 +ST PT SK 75.0 109.47 +ST PT ST 55.0 109.47 +XBR PT XBR 50.0 100.0 +XCL PT XCL 50.0 100.0 +XF PT H 63.0 91.0 +XF PT XF 65.0 97.0 +XI PT XI 50.0 113.0 +C PUA1 CT 55.0 120.0 +C PUA1 PUA1 55.0 120.0 +C5R PUA1 CT 55.0 120.0 +C5R PUA1 PUA1 55.0 120.0 +C6R PUA1 C6R 55.0 120.0 +C6R PUA1 CT 55.0 120.0 +C6R PUA1 PUA1 55.0 120.0 +CT PUA1 CT 45.0 120.0 +CT PUA1 PUA1 45.0 120.0 +H PUA1 C 40.0 120.0 +H PUA1 NP 40.0 120.0 +HA PUA1 C 30.0 120.0 +HA PUA1 HA 30.0 120.0 +HA PUA1 PUA1 30.0 120.0 +NP PUA1 C 75.0 120.0 +C5R S5R C5R 90.0 98.0 +C5R S5R C5RE 70.0 106.0 +C5R S5R C5RP 90.0 98.0 +C5R S5R C5RQ 90.0 98.0 +C5R S5R CR55 90.0 98.0 +C5R S5R CR56 90.0 98.0 +C5R S5R N5R 90.0 98.0 +C5R S5R N5RP 90.0 98.0 +C5R S5R O5R 90.0 98.0 +C5RE S5R C5RE 65.0 106.0 +C5RE S5R CR55 65.0 106.0 +C5RE S5R CR56 65.0 106.0 +C5RP S5R C5RP 70.0 106.0 +C5RP S5R C5RQ 70.0 106.0 +C5RP S5R CR55 70.0 106.0 +C5RP S5R CR56 70.0 106.0 +CH1E S5R C5R 70.0 127.0 +CH1E S5R C5RE 70.0 127.0 +CH1E S5R C5RP 70.0 127.0 +CH1E S5R CR55 70.0 127.0 +CH1E S5R CR56 70.0 127.0 +CH1E S5R N5RP 70.0 127.0 +CH2E S5R C5R 70.0 127.0 +CH2E S5R C5RE 70.0 127.0 +CH2E S5R C5RP 70.0 127.0 +CH2E S5R CR55 70.0 127.0 +CH2E S5R CR56 70.0 127.0 +CH3E S5R C5R 70.0 127.0 +CH3E S5R C5RE 70.0 127.0 +CH3E S5R C5RP 70.0 127.0 +CH3E S5R CR55 70.0 127.0 +CH3E S5R CR56 70.0 127.0 +CR56 S5R CR56 90.0 108.0 +CR56 S5R O5R 90.0 98.0 +CT S5R C5R 70.0 127.0 +CT S5R C5RP 70.0 127.0 +CT S5R C5RQ 70.0 127.0 +CT S5R C6RE 70.0 127.0 +CT S5R CR55 70.0 127.0 +CT S5R CR56 70.0 127.0 +CT S5R N5R 70.0 127.0 +CT S5R N5RP 70.0 127.0 +CT S5R O5R 70.0 127.0 +H S5R C5R 30.0 127.0 +H S5R C5RE 30.0 127.0 +H S5R C5RP 30.0 127.0 +H S5R C5RQ 30.0 127.0 +H S5R CR55 30.0 127.0 +H S5R CR56 30.0 127.0 +H S5R N5R 30.0 127.0 +H S5R N5RP 30.0 127.0 +H S5R O5R 30.0 127.0 +FE S5R C5R 0.0 127.0 +N5R S5R N5R 70.0 98.0 +N5R S5R O5R 70.0 98.0 +O5R S5R O5R 70.0 98.0 +C S6R C 116.0 126.4 +C S6R C6R 116.0 125.3 +C S6R C6RE 116.0 125.3 +C S6R CH1E 70.0 117.6 +C S6R CH3E 70.0 120.0 +C S6R CT 70.0 120.0 +C S6R CUA1 70.0 120.0 +C S6R CUA2 70.0 120.0 +C S6R CUA3 70.0 120.0 +C S6R H 35.0 119.3 +C S6R S6R 116.0 125.3 +C S6R SO2 116.0 125.3 +C6R S6R C6R 70.0 120.0 +C6R S6R C6RE 70.0 120.0 +C6R S6R C6RP 90.0 120.0 +C6R S6R C6RQ 90.0 120.0 +C6R S6R CQ66 70.0 120.0 +C6R S6R CR56 70.0 120.0 +C6R S6R CR66 70.0 120.0 +C6RE S6R C6RE 65.0 120.0 +C6RE S6R CQ66 65.0 120.0 +C6RE S6R CR66 65.0 120.0 +CH1E S6R C6R 70.0 120.0 +CH1E S6R C6RE 70.0 120.0 +CH1E S6R CR56 70.0 120.0 +CH1E S6R CR66 70.0 120.0 +CH2E S6R C6R 70.0 120.0 +CH2E S6R C6RE 70.0 120.0 +CH2E S6R CR56 70.0 120.0 +CH2E S6R CR66 70.0 120.0 +CH3E S6R C6R 70.0 120.0 +CH3E S6R C6RE 70.0 120.0 +CH3E S6R CR56 70.0 120.0 +CH3E S6R CR66 70.0 120.0 +CR56 S6R C6RE 70.0 111.0 +CR66 S6R CR66 70.0 120.0 +CT S6R C6R 70.0 120.0 +CT S6R C6RE 70.0 120.0 +CT S6R CQ66 70.0 120.0 +CT S6R CR56 70.0 120.0 +CT S6R CR66 70.0 120.0 +CT S6R CS66 70.0 120.0 +CT S6R CUA1 70.0 120.0 +CT S6R CUA2 70.0 120.0 +CT S6R CUA3 70.0 120.0 +B SE B 65.0 96.9 +B SE SE 65.0 100.0 +C SE C 75.0 98.0 +C SE C6R 75.0 98.0 +C SE CT 75.0 98.0 +C SE CUA1 75.0 98.0 +C5R SE C5R 75.0 98.0 +C5R SE C6R 75.0 98.0 +C6R SE C6R 75.0 104.0 +C6R SE CUA1 75.0 104.0 +C6R SE CUA2 75.0 104.0 +C6R SE CUA3 75.0 104.0 +C6R SE OE 75.0 105.0 +CF1 SE CT 50.0 99.5 +CF2 SE CT 50.0 99.5 +CF3 SE CT 50.0 99.5 +CH1E SE C5R 75.0 98.0 +CH1E SE C6R 75.0 98.0 +CH1E SE CH1E 75.0 98.0 +CH1E SE CH2E 75.0 98.0 +CH1E SE CH3E 75.0 98.0 +CH1E SE CT 75.0 98.0 +CH2E SE C5R 75.0 98.0 +CH2E SE C6R 75.0 98.0 +CH2E SE CH2E 75.0 98.0 +CH2E SE CH3E 75.0 98.0 +CH2E SE CT 75.0 98.0 +CH3E SE C5R 75.0 98.0 +CH3E SE C6R 75.0 98.0 +CH3E SE CH3E 75.0 98.0 +CH3E SE CT 75.0 98.0 +CT SE C5R 75.0 98.0 +CT SE C6R 75.0 98.0 +CT SE CT 75.0 98.0 +CT SE CT4 75.0 98.0 +CT SE CUA1 75.0 102.0 +CT SE CUA2 75.0 102.0 +CT SE CUA3 75.0 98.0 +CT SE CUY1 75.0 102.0 +CT SE PT 75.0 98.0 +CT4 SE CUA1 50.0 98.0 +CUA1 SE CUA1 75.0 98.0 +CUA1 SE CUA2 75.0 98.0 +CUA1 SE CUA3 75.0 98.0 +CUA1 SE SE 75.0 98.0 +H SE C6R 50.0 109.47 +H SE CT 50.0 109.47 +MAS SE MAS 50.0 96.5 +MGE SE MGE 35.0 96.5 +MSI SE MSI 26.0 97.4 +N SE N 75.0 100.0 +SE SE SE 35.0 117.5 +PT SE PT 50.0 98.0 +C5R SO1 C5R 30.0 96.0 +C5R SO1 C6R 30.0 96.0 +C5R SO1 O 66.0 107.0 +C6R SO1 C6R 30.0 100.0 +C6R SO1 H 30.0 115.0 +C6R SO1 NP 30.0 97.0 +C6R SO1 O 66.0 105.0 +CH1E SO1 C5R 30.0 96.0 +CH1E SO1 C6R 30.0 96.0 +CH1E SO1 CH1E 30.0 96.0 +CH1E SO1 CH2E 30.0 96.0 +CH1E SO1 CH3E 30.0 96.0 +CH1E SO1 CT 30.0 96.0 +CH1E SO1 O 66.0 107.0 +CH2E SO1 C5R 30.0 96.0 +CH2E SO1 C6R 30.0 96.0 +CH2E SO1 CH2E 30.0 96.0 +CH2E SO1 CH3E 30.0 96.0 +CH2E SO1 CT 30.0 96.0 +CH2E SO1 O 66.0 107.0 +CH3E SO1 C5R 30.0 96.0 +CH3E SO1 C6R 30.0 96.0 +CH3E SO1 CH3E 30.0 96.0 +CH3E SO1 CT 30.0 96.0 +CH3E SO1 O 66.0 107.0 +CR66 SO1 CR66 70.0 115.0 +CR66 SO1 O 70.0 115.0 +CT SO1 C5R 30.0 96.0 +CT SO1 C6R 30.0 96.0 +CT SO1 CT 30.0 96.0 +CT SO1 O 66.0 107.0 +NP SO1 O 75.0 105.5 +H SO1 CR66 50.0 115.0 +H SO1 O 50.0 109.47 +C SO2 N5R 70.0 108.5 +C SO2 N6R 70.0 108.5 +C SO2 NC 70.0 108.5 +C SO2 NP 70.0 108.5 +C SO2 NT 70.0 108.5 +C SO2 O 70.0 108.5 +C5R SO2 C5R 21.0 103.0 +C5R SO2 C6R 21.0 103.0 +C5R SO2 N5R 70.0 108.5 +C5R SO2 N6R 70.0 108.5 +C5R SO2 NC 70.0 108.5 +C5R SO2 NP 70.0 108.5 +C5R SO2 NT 70.0 108.5 +C5R SO2 O 69.0 109.0 +C6R SO2 C6R 21.0 103.0 +C6R SO2 N 70.0 106.0 +C6R SO2 N5R 70.0 108.5 +C6R SO2 N6R 70.0 120.0 +C6R SO2 NC 70.0 108.5 +C6R SO2 NP 70.0 106.0 +C6R SO2 NT 70.0 107.0 +C6R SO2 O 69.0 109.0 +CH1E SO2 C5R 21.0 103.0 +CH1E SO2 C6R 21.0 103.0 +CH1E SO2 CH1E 21.0 103.0 +CH1E SO2 CH2E 21.0 103.0 +CH1E SO2 CH3E 21.0 103.0 +CH1E SO2 CT 21.0 103.0 +CH1E SO2 N5R 70.0 108.5 +CH1E SO2 N6R 70.0 108.5 +CH1E SO2 NC 70.0 108.5 +CH1E SO2 NP 70.0 108.5 +CH1E SO2 NT 70.0 108.5 +CH1E SO2 O 69.0 109.0 +CH2E SO2 C5R 21.0 103.0 +CH2E SO2 C6R 21.0 103.0 +CH2E SO2 CH2E 21.0 103.0 +CH2E SO2 CH3E 21.0 103.0 +CH2E SO2 CT 21.0 103.0 +CH2E SO2 N5R 70.0 108.5 +CH2E SO2 N6R 70.0 108.5 +CH2E SO2 NC 70.0 108.5 +CH2E SO2 NP 70.0 108.5 +CH2E SO2 NT 70.0 108.5 +CH2E SO2 O 69.0 109.0 +CH3E SO2 C5R 21.0 103.0 +CH3E SO2 C6R 21.0 103.0 +CH3E SO2 CH3E 21.0 103.0 +CH3E SO2 CT 21.0 103.0 +CH3E SO2 N5R 70.0 108.5 +CH3E SO2 N6R 70.0 108.5 +CH3E SO2 NC 70.0 108.5 +CH3E SO2 NP 70.0 108.5 +CH3E SO2 NT 70.0 108.5 +CH3E SO2 O 69.0 109.0 +CT SO2 C5R 21.0 103.0 +CT SO2 C6R 21.0 103.0 +CT SO2 CT 21.0 103.0 +CT SO2 CUA1 70.0 109.0 +CT SO2 CUA2 70.0 109.0 +CT SO2 CUA3 70.0 109.0 +CT SO2 N5R 70.0 108.5 +CT SO2 N6R 70.0 108.5 +CT SO2 NC 70.0 108.5 +CT SO2 NP 70.0 108.5 +CT SO2 NT 75.0 107.0 +CT SO2 O 69.0 110.5 +CUA1 SO2 NT 70.0 103.0 +CUA1 SO2 O 69.0 109.0 +CUA2 SO2 NT 70.0 103.0 +CUA2 SO2 O 69.0 109.0 +N SO2 O 75.0 107.5 +N5R SO2 O 75.0 107.5 +N6R SO2 O 75.0 107.5 +NC SO2 O 78.0 104.5 +NP SO2 O 75.0 107.5 +NT SO2 NP 75.0 108.5 +NT SO2 NT 70.0 108.5 +NT SO2 O 78.0 104.5 +O SO2 O 118.0 119.5 +C5R SO3 O 69.0 109.0 +C5R SO3 OT 55.0 109.0 +C6R SO3 O 69.0 109.0 +C6R SO3 OC 55.0 109.0 +C6R SO3 OE 55.0 109.0 +C6R SO3 OT 55.0 109.0 +CH1E SO3 O 69.0 109.0 +CH2E SO3 O 69.0 109.0 +CH3E SO3 O 69.0 109.0 +CT SO3 O 69.0 109.0 +CT SO3 OC 55.0 109.0 +CT SO3 OE 55.0 109.0 +CT SO3 OT 55.0 109.0 +CUA1 SO3 O 69.0 109.0 +CUA1 SO3 OT 55.0 109.0 +CUA2 SO3 O 69.0 109.0 +CUA2 SO3 OT 55.0 109.0 +NP SO3 O 75.0 107.5 +NP SO3 OT 55.0 109.0 +NX SO3 O 75.0 109.0 +NX SO3 OT 75.0 109.0 +O SO3 NT 78.0 107.5 +O SO3 O 118.0 118.0 +O SO3 OC 75.0 109.0 +O SO3 OE 75.0 109.0 +O SO3 OT 75.0 109.0 +OC SO3 OC 75.0 109.0 +OT SO3 NT 55.0 109.0 +OT SO3 OT 55.0 109.0 +O SO4 O 118.0 124.0 +O SO4 OC 75.0 108.0 +O SO4 OE 75.0 109.0 +O SO4 OS 135.0 109.47 +O SO4 OT 75.0 109.0 +OC SO4 OC 75.0 108.0 +OC SO4 OE 75.0 108.0 +OC SO4 OT 95.0 109.47 +OS SO4 OC 78.0 108.0 +OS SO4 OS 48.1 102.6 +OT SO4 OE 55.0 109.0 +OT SO4 OS 48.1 102.6 +OT SO4 OT 78.0 101.5 +C6R ST ST 50.0 104.2 +CF1 ST CT 50.0 95.0 +CF2 ST CT 50.0 95.0 +CF2 ST XF 15.0 90.0 +CF3 ST CT 50.0 95.0 +CH1E ST CH1E 50.0 99.5 +CH1E ST CH2E 50.0 99.5 +CH1E ST CH3E 50.0 99.5 +CH1E ST CT 50.0 99.5 +CH1E ST ST 50.0 104.2 +CH2E ST CH2E 50.0 99.5 +CH2E ST CH3E 50.0 99.5 +CH2E ST CT 50.0 99.5 +CH2E ST ST 50.0 104.2 +CH3E ST ST 50.0 104.2 +CT ST CT 50.0 99.5 +CT ST FE 50.0 100.5 +CT ST PT 73.0 103.0 +CT ST ST 53.0 103.0 +CUA1 ST ST 50.0 103.0 +CUA2 ST ST 50.0 103.0 +H ST CT 50.0 109.47 +H ST CT4 50.0 109.47 +H ST H 55.0 92.1 +OC ST OC 85.0 109.47 +PT ST PT 50.0 98.0 +ST ST PT 50.0 99.5 +XF ST XF 85.0 90.0 +C6R MAL NT 35.0 109.47 +CT MAL CT 50.0 122.00 +CT MAL CUY1 30.0 109.47 +CT MAL HA 30.0 120.00 +CT MAL MAL 30.0 120.0 +CT MAL NT 30.0 102.3 +CT MAL OE 30.0 95.0 +CT MAL OS 30.0 98.7 +CT MAL PT 40.0 95.0 +HA MAL HA 30.0 120.0 +NT MAL NT 50.0 109.47 +OE MAL OE 40.0 120.0 +OS MAL OS 155.0 109.47 +OS MAL OT 155.0 109.47 +OSH MAL OSH 48.150 109.47 +OT MAL OT 155.0 109.47 +XCL MAL XCL 40.0 120.0 +XF MAL XF 60.0 120.0 +MAS MAS SE 35.0 109.47 +MSI MAS MSI 30.0 93.8 +OE MAS C6R 100.0 109.47 +OE MAS CT 85.0 109.47 +OE MAS OE 125.0 109.47 +OS MAS C6R 100.0 109.47 +OS MAS CT 85.0 109.47 +OS MAS OE 125.0 109.47 +OS MAS OS 125.0 109.47 +OS MAS OT 125.0 109.47 +OT MAS C6R 100.0 109.47 +OT MAS OT 125.0 109.47 +SE MAS SE 35.0 109.47 +C5R MBE C5R 10.0 50.0 +C5R MBE CT 30.0 149.7 +CT MBE CT 30.0 180.0 +C MCO C 35.0 90.0 +C MCO CM 35.0 90.0 +C4 MCO C4 35.0 90.0 +C4 MCO CM 35.0 109.47 +C4 MCO MCO 35.0 45.0 +CM MCO CM 25.0 109.47 +CM MCO MCO 25.0 109.47 +CM MCR CM 5.0 109.47 +XCL MCR XCL 60.0 113.3 +XF MCR XF 60.0 111.9 +NP MCU NP 85.0 88.4 +NP MCU NT 85.0 88.4 +NT MCU XCL 30.0 90.0 +O MCU NP 125.0 88.4 +O MCU OE 125.0 88.4 +O MCU XCL 55.0 90.0 +OE MCU NP 125.0 88.4 +OE MCU NT 125.0 88.4 +OE MCU OE 125.0 88.4 +OE MCU XCL 55.0 90.0 +XCL MCU XCL 15.0 160.0 +CM FE CM 5.0 90.0 +HA FE CM 5.0 90.0 +HA FE HA 30.0 100.0 +N5R FE N5R 10.0 90.0 +OE FE OE 0.0 90.0 +ST FE ST 50.0 105.0 +CT MGE CT 30.0 109.47 +OSH MGE OSH 48.150 109.47 +SE MGE SE 35.0 109.47 +SE MGE XBR 35.0 109.47 +C5R MMG CT 30.0 149.7 +CT MMG CT 30.0 180.0 +XCL MNI XCL 75.0 180.0 +XCL MPD XCL 57.0 180.0 +XCL MPT XCL 75.0 180.0 +C5R MSE CF1 35.0 98.5 +C5R MSE CF2 35.0 98.5 +C5R MSE CF3 35.0 98.5 +C5R MSE CT 35.0 98.5 +C5R MSE CUA1 35.0 98.5 +C5R MSE CUA2 35.0 98.5 +C5R MSE XBR 35.0 98.5 +C5R MSE XF 35.0 98.5 +C6R MSE CT 50.0 98.5 +C6R MSE NT 35.0 98.5 +C6R MSE XBR 35.0 98.5 +C6R MSE XF 35.0 98.5 +CT MSE CT 50.0 95.0 +CT MSE CUA1 50.0 95.0 +CT MSE CUA2 50.0 95.0 +CT MSE CUY1 50.0 98.5 +CT MSE NP 50.0 104.3 +CUA1 MSE CUA1 35.0 95.0 +CUA1 MSE CUA2 35.0 94.5 +H MSE C5R 35.0 98.0 +H MSE C6R 35.0 98.0 +H MSE CF1 35.0 98.0 +H MSE CF2 35.0 98.0 +H MSE CF3 35.0 98.0 +H MSE CT 35.0 98.0 +H MSE CUA1 35.0 98.0 +H MSE CUA2 35.0 98.0 +H MSE CUY1 35.0 98.0 +H MSE MSE 35.0 98.0 +H MSE NP 35.0 98.0 +H MSE NT 35.0 98.0 +MSE MSE CF1 35.0 98.0 +MSE MSE CF2 35.0 98.0 +MSE MSE CF3 35.0 98.0 +MSE MSE CT 35.0 98.0 +MSE MSE CUA1 35.0 98.0 +MSE MSE MSI 35.0 95.0 +MSE MSE PT 35.0 95.0 +O MSE XF 55.0 92.0 +OE MSE XF 85.0 94.1 +XF MSE XF 60.0 94.1 +CH3E MSI CH3E 79.0 114.0 +CH3E MSI HA 35.0 109.47 +CH3E MSI OE 50.0 114.0 +CH3E MSI OSI 50.0 114.0 +CH3E MSI OT 50.0 114.0 +CT MSI C6R 50.0 109.47 +CT MSI CT 79.0 113.0 +CT MSI CUY1 70.0 109.47 +CT MSI HA 30.0 111.20 +CT MSI NT 50.0 109.47 +CT MSI XCL 50.0 109.47 +HA MSI C6R 30.0 109.47 +HA MSI HA 27.5 108.60 +HA MSI MSIU 30.0 109.47 +HA MSI NT 30.0 109.47 +HA MSI O2M 30.0 109.47 +HA MSI OSI 30.0 109.47 +HA MSI OT 27.5 109.47 +HA MSI PT 30.0 109.47 +MSI MSI CT 61.0 109.47 +MSI MSI HA 30.0 109.47 +MSI MSI MSI 45.0 109.47 +MSI MSI OE 50.0 106.0 +MSI MSI OS 50.0 106.0 +MSI MSI OSH 0.0 0.0 +MSI MSI OSI 50.0 106.0 +O2M MSI O2M 0.0 0.0 +O2M MSI OSH 0.0 0.0 +OE MSI CT 85.0 109.47 +OE MSI HA 50.0 109.47 +OE MSI O2M 67.0 107.0 +OE MSI OE 67.0 109.47 +OE MSI OSI 67.0 107.00 +OE MSI OT 67.0 109.47 +OS MSI CT 85.0 109.47 +OS MSI HA 50.0 109.90 +OS MSI O2M 67.0 109.47 +OS MSI OS 67.0 109.47 +OS MSI OT 67.0 109.47 +OSH MSI OSH 48.150 109.47 +OSI MSI CT 85.0 105.47 +OSI MSI OSI 127.0 109.47 +OT MSI CT 85.0 109.47 +OT MSI OSI 127.0 109.47 +OT MSI OT 127.0 109.47 +XCL MSI XCL 55.0 109.47 +CT MSIU CT 50.0 114.0 +CT MSIU CUA1 50.0 123.0 +CT MSIU HA 35.0 120.0 +CT MSIU MSI 50.0 120.0 +CUA1 MSIU HA 35.0 120.0 +CUA1 MSIU MSI 65.0 119.0 +MSI MSIU MSI 50.0 122.0 +OSH MTI OSH 48.150 109.47 +XCL MV XCL 50.0 111.3 +XF MV XF 60.0 111.2 +CM MW CM 5.0 90.0 +C5R MZN CT 30.0 149.7 +XCL MZR XCL 50.0 116.6 +PHI ! TORSIONS (DIHEDRAL ANGLES); torsions (dihedral angles) +X FE NP X 0.05 4 0.0!added by gwo +X SH1E FE X 0.0 4 0.0!Added 5-13-02 by Karl Clodfelter from 1bu7a +CH1E C N CH1E 10.0 2 180.0! PRO ISOM. BARRIER 20 KCAL/MOL. +CH2E C N CH1E 10.0 2 180.0 +CR1E C C CR1E 5.0 2 180.0! => TRP OOP. VIB 170CM 1 +CR1E C C C 2.5 2 180.0! SEE BEHLEN ET AL JCP 75:5685 81 +CR1E C C NH1 2.5 2 180.0 +X C CR1E X 10.0 2 180.0! DIHEDRAL PER BOND RATHER +X C NC2 X 8.2 2 180.0! 1.6 FROM 1.8 TO COINCIDE WITH +X C NH1 X 8.2 2 180.0! THE EXPERIMENTAL BARRIER. +X C NH2 X 8.2 2 180.0 +X C OH1 X 1.8 2 180.0 +X CH1E N X 0.3 3 0.0! FROM HAGLER ET AL TABULATION OF +X CH1E NH1 X 0.3 3 0.0! EXP. DATA AND 6 31G CALC. +X CH1E NH2 X 1.8 3 0.0! PROTONATED SECONDARY AMINE +X CH1E NH3 X 0.6 3 0.0! 1/PROTON SO 3 FOR THE BOND +X CH1E OH1 X 0.5 3 0.0! CHANGED TO ROUGHLY MEOH +X CH2E N X 0.3 3 0.0! SEE CH1E COMMENTS +X CH2E NH1 X 0.3 3 0.0 +X CH2E NH2 X 0.6 3 0.0 +X CH2E NH3 X 0.6 3 0.0 +X CH2E OH1 X 0.5 3 0.0 +X CH2E S X 1.2 2 0.0 +X CT NC2 X 0.3 3 0.0 +X CT NH1 X 0.3 3 0.0 +X CT NH2 X 0.6 3 0.0 +X CT NH3 X 0.6 3 0.0 +X CT OH1 X 0.5 3 0.0 +X CT S X 1.2 2 0.0 +X FE NR X 0.05 4 0.0 +X FE CM X 0.05 4 0.0 +X FE OM X 0.00 4 0.0 +X S S X 4.0 2 0.0! FROM EXP. NMR BARRIER +H B HMU B 0.5 4 180.0 +HMU B HMU B 0.5 2 0.0 +X B CT X 0.5 3 0.0 +X B OE X 0.5 3 0.0 +X B OT X 0.5 3 0.0 +X B SE X 2.0 2 0.0 +C C CT HA 0.12 2 180.0 +C C NP CT4 2.6 2 180.0 +C C NP H 2.6 2 180.0 +C6R C NP C 2.6 2 180.0 +C6R C NP C6R 2.6 2 180.0 +C6R C NP CT 2.6 2 180.0 +C6R C NP H 2.6 2 180.0 +CH1E C NP CH1E 2.6 2 180.0 +CH1E C NP CH2E 2.6 2 180.0 +CH1E C NP H 0.8 1 180.0 +CH2E C NP CH1E 2.6 2 180.0 +CH2E C NP CH2E 2.6 2 180.0 +CH2E C NP H 0.8 1 180.0 +CH3E C NP CH1E 2.6 2 180.0 +CH3E C NP CH2E 2.6 2 180.0 +CH3E C NP CH3E 2.6 2 180.0 +CH3E C NP H 0.8 1 180.0 +CT C C OT 1.7 2 180.0 +CT C CT HA 0.16 2 180.0 +CT C NP C 2.6 2 180.0 +CT C NP C6R 2.6 2 180.0 +CT C NP CT 2.6 2 180.0 +CT C NP CUA1 2.6 2 180.0 +CT C NP H 1.19 1 180.0 +CT C NP NP 2.6 2 180.0 +CT C OS CT 0.49 1 0.0 +CT C OS CT 2.65 2 180.0 +HA C CT CT 0.00 1 180.0 +HA C NP CT 1.05 1 0.0 +HA C NP H 2.6 2 180.0 +HA C NP NP 2.6 2 180.0 +N6R C NP C 2.6 2 180.0 +N6R C NP H 2.6 2 180.0 +NC C NP CH2E 2.6 2 180.0 +NC C NP CT 2.6 2 180.0 +NC C NP H 2.6 2 180.0 +NP C CH1E NP 0.35 2 180.0 +NP C CT NP 0.25 3 180.0 +NP C CT NX 2.50 3 180.0 +NP C NP CT 2.6 2 180.0 +NP C NP H 2.6 2 180.0 +NX C NP C 2.6 2 180.0 +NX C NP H 2.6 2 180.0 +O C C6R C6R 1.3 2 180.0 +O C C6RE C6RE 1.3 2 180.0 +O C CUA1 CUA1 1.5 1 0.0 +O C CUA2 CUA2 1.5 1 0.0 +O C NP C 2.6 2 180.0 +O C NP C6R 2.6 2 180.0 +O C NP CH1E 2.6 2 180.0 +O C NP CH2E 2.6 2 180.0 +O C NP CH3E 2.6 2 180.0 +O C NP CT 2.6 2 180.0 +O C NP CT4 2.6 2 180.0 +O C NP CUA1 2.6 2 180.0 +O C NP H 2.6 2 180.0 +OA C CT CT 0.26 1 0.0 +OA C CT CT 1.70 3 180.0 +OA C CT HA 0.30 3 180.0 +OA C CUA1 CUA1 2.2 1 0.0 +OA C CUA2 CUA2 1.8 1 0.0 +OAC C CT CT 0.40 3 180.0 +OAC C OS CT 0.27 1 0.0 +OAC C OS CT 2.65 2 180.0 +OAC C OT H 0.03 1 180.0 +OK C CT CT 0.55 1 180.0 +OK C CT CT 0.25 4 180.0 +OK C CUA1 CUA1 0.8 1 0.0 +OS C NP CT 2.6 2 180.0 +OS C NP H 2.6 2 180.0 +OT C CT CT 0.60 1 0.0 +OT C CT HA 0.05 3 0.0 +X C C X 0.5 2 180.0 +X C C5R X 2.5 2 180.0 +X C C5RP X 2.3 2 180.0 +X C C5RQ X 2.3 2 180.0 +X C C6R X 0.5 2 180.0 +X C C6RE X 1.5 2 180.0 +X C C6RP X 2.3 2 180.0 +X C CF1 X 0.10 3 180.0 +X C CF2 X 0.10 3 180.0 +X C CF3 X 0.02 3 180.0 +X C CH1E X 0.10 3 180.0 +X C CH2E X 0.10 3 180.0 +X C CR56 X 2.05 2 180.0 +X C CR66 X 2.05 2 180.0 +X C CT X 0.05 3 180.0 +X C CT3 X 0.05 3 180.0 +X C CT4 X 0.05 3 180.0 +X C CUA1 X 0.9 2 180.0 +X C CUA2 X 0.9 2 180.0 +X C CUY1 X 0.7 2 180.0 +X C CUY2 X 0.7 2 180.0 +X C MCO X 0.15 3 0.0 +X C N X 2.05 2 180.0 +X C N5R X 2.05 2 180.0 +X C N6R X 2.05 2 180.0 +X C NC X 2.05 2 180.0 +X C NO2 X 0.25 2 180.0 +X C NP X 2.6 2 180.0 +X C NT X 0.16 2 0.0 +X C NX X 2.6 2 180.0 +X C O5R X 2.05 2 180.0 +X C OE X 2.0 2 180.0 +X C OS X 2.5 2 180.0 +X C OT X 1.20 2 180.0 +X C PUA1 X 1.00 2 180.0 +X C S5R X 4.1 2 180.0 +X C S6R X 2.05 2 180.0 +X C SE X 2.0 2 180.0 +X C SO2 X 0.6 3 0.0 +X C3 CT3 X 0.5 2 180.0 +X C3 CUA1 X 0.5 2 180.0 +X C4 CT4 X 0.5 2 180.0 +X C4 CUA1 X 0.5 2 180.0 +X C4 MCO X 0.15 3 0.0 +X C4 NX X 2.6 2 180.0 +C5R C5R C5R C5R 3.1 2 180.0 +C5R C5R C5R HA 3.5 2 180.0 +HA C5R C5R HA 2.5 2 180.0 +X C5R C5R X 3.1 2 180.0 +X C5R C5RE X 3.1 2 180.0 +X C5R C5RP X 3.1 2 180.0 +X C5R C5RQ X 3.1 2 180.0 +X C5R CR55 X 3.1 2 180.0 +X C5R CR56 X 3.1 2 180.0 +X C5R MBE X 0.02 5 60.0 +X C5R MSE X 0.1 2 180.0 +X C5R N X 2.75 2 180.0 +X C5R N5R X 2.05 2 180.0 +X C5R N5RP X 2.05 2 180.0 +X C5R NC X 2.05 2 180.0 +X C5R NO2 X 1.15 2 180.0 +X C5R NP X 2.05 2 180.0 +X C5R NR55 X 3.1 2 180.0 +X C5R NR56 X 3.1 2 180.0 +X C5R NT X 0.1 3 0.0 +X C5R NX X 0.45 2 180.0 +X C5R O5R X 2.05 2 180.0 +X C5R OE X 1.5 2 180.0 +X C5R OS X 1.5 2 180.0 +X C5R OT X 0.5 2 180.0 +X C5R PUA1 X 0.5 2 180.0 +X C5R S5R X 2.05 2 180.0 +X C5R SE X 0.4 3 0.0 +X C5R SO1 X 0.5 3 0.0 +X C5R SO2 X 0.6 3 0.0 +X C5R SO4 X 0.1 3 0.0 +X C5RE N5R X 1.12 2 180.0 +N5R C5RP C6RP C6R 0.04 2 180.0 +S5R C5RP C6RP C6R 0.04 2 180.0 +X C5RP C5RP X 0.20 2 180.0 +X C5RP C6RP X 0.80 2 180.0 +X C5RP N5R X 2.05 2 180.0 +X C5RP N5RP X 0.80 2 180.0 +X C5RP O5R X 2.05 2 180.0 +X C5RP S5R X 2.05 2 180.0 +X C5RQ C5RQ X 1.12 2 180.0 +X C5RQ C6RP X 1.12 2 180.0 +X C5RQ N5R X 2.05 2 180.0 +X C5RQ O5R X 2.05 2 180.0 +X C5RQ S5R X 2.05 2 180.0 +C6R C6R C6R C6R 2.8 2 180.0 +C6R C6R C6R HA 3.0 2 180.0 +HA C6R C6R HA 2.5 2 180.0 +X C6R C6R X 3.1 2 180.0 +X C6R C6RE X 3.1 2 180.0 +X C6R C6RP X 3.1 2 180.0 +X C6RE C6RP X 3.1 2 180.0 +X C6R C6RQ X 3.1 2 180.0 +X C6R CQ66 X 3.1 2 180.0 +X C6R CR56 X 3.1 2 180.0 +X C6R CR66 X 3.1 2 180.0 +X C6R CS66 X 3.1 2 180.0 +X C6R CT3 X 0.1 3 0.0 +X C6R MAL X 0.15 3 0.0 +X C6R MSE X 0.1 2 180.0 +X C6R MSI X 0.16 2 0.0 +X C6R N X 1.00 2 180.0 +X C6R N5R X 2.05 2 180.0 +X C6R N6R X 2.05 2 180.0 +X C6R N6RP X 2.05 2 180.0 +X C6R NC X 2.05 2 180.0 +X C6R NO2 X 1.12 2 180.0 +X C6R NP X 0.5 2 180.0 +X C6R NR56 X 3.1 2 180.0 +X C6R NR66 X 3.1 2 180.0 +X C6R NT X 0.1 3 0.0 +X C6R NX X 0.45 2 180.0 +X C6R O6R X 3.1 2 180.0 +X C6R OE X 1.4 2 180.0 +X C6R OS X 0.5 2 180.0 +X C6R OT X 0.5 2 180.0 +X C6R P6R X 3.1 2 180.0 +X C6R PO3 X 0.5 3 0.0 +X C6R PT X 0.5 3 0.0 +X C6R PUA1 X 0.5 2 180.0 +X C6R S6R X 2.05 2 180.0 +X C6R SE X 0.4 3 0.0 +X C6R SO1 X 0.5 3 0.0 +X C6R SO2 X 0.6 3 0.0 +X C6R SO3 X 0.6 3 0.0 +X C6R SO4 X 0.1 3 0.0 +X C6R ST X 0.4 3 0.0 +X C6RE C6RE X 0.6 2 180.0 +X C6RE CR56 X 3.1 2 180.0 +X C6RE CR66 X 3.1 2 180.0 +X C6RE N6R X 3.1 2 180.0 +X C6RE NR56 X 3.1 2 180.0 +X C6RE NR66 X 3.1 2 180.0 +X C6RE O6R X 3.1 2 180.0 +C6RE C6RP C6RP C6RE 0.65 2 180.0 +X C6RP C6RP X 0.8 2 180.0 +X C6RP C6RQ X 3.1 2 180.0 +X C6RP CR66 X 3.1 2 180.0 +X C6RP N5RP X 0.8 2 180.0 +X C6RP N6R X 3.1 2 180.0 +X C6RP N6RP X 0.8 2 180.0 +X C6RP NR56 X 3.1 2 180.0 +X C6RP O6R X 3.1 2 180.0 +X C6RP OC X 5.0 2 180.0 +X C6RP OE X 1.0 2 180.0 +X C6RP OS X 1.0 2 180.0 +X C6RP P6R X 3.1 2 180.0 +X C6RP S6R X 2.5 2 180.0 +X C6RQ C6RQ X 0.8 2 180.0 +X C6RQ N6R X 3.1 2 180.0 +X C6RQ N6RP X 3.1 2 180.0 +CT CF1 OE CT 0.35 1 0.0 +CT CF1 OE CT 1.3 3 0.0 +CT CF1 OT HO 0.10 1 180.0 +HA CF1 OT HO 0.12 3 0.0 +OE CF1 OE CT 1.0 1 180.0 +XF CF1 CF1 XF 1.9 1 180.0 +XF CF1 CT CT 0.25 1 0.0 +X CF1 CF1 X 0.15 3 0.0 +X CF1 CF2 X 0.15 3 0.0 +X CF1 CF3 X 0.15 3 0.0 +X CF1 CT X 0.13 3 0.0 +X CF1 CUA1 X 0.35 3 0.0 +X CF1 CUA2 X 0.35 3 0.0 +X CF1 CUY1 X 0.10 3 0.0 +X CF1 N X 0.10 3 0.0 +X CF1 NP X 0.25 3 0.0 +X CF1 NT X 0.13 3 0.0 +X CF1 OE X 0.27 3 0.0 +X CF1 OS X 0.33 3 0.0 +X CF1 OT X 0.53 3 0.0 +X CF1 PO3 X 0.03 3 0.0 +X CF1 PT X 0.16 3 0.0 +X CF1 PUA1 X 0.1 3 0.0 +X CF1 SE X 0.27 3 0.0 +X CF1 SO1 X 0.33 3 0.0 +X CF1 SO2 X 0.4 3 0.0 +X CF1 SO3 X 0.4 3 0.0 +X CF1 ST X 0.12 3 0.0 +CT CF2 OE CT 0.35 1 0.0 +CT CF2 OE CT 1.3 3 0.0 +CT CF2 OT HO 0.10 1 180.0 +HA CF2 OT HO 0.12 3 0.0 +OE CF2 OE CT 1.0 1 180.0 +X CF2 CF2 X 0.15 3 0.0 +X CF2 CF3 X 0.15 3 0.0 +X CF2 CT X 0.15 3 0.0 +X CF2 CUA1 X 0.35 3 0.0 +X CF2 CUA2 X 0.35 3 0.0 +X CF2 CUY1 X 0.10 3 0.0 +X CF2 N X 0.10 3 0.0 +X CF2 NP X 0.25 3 0.0 +X CF2 NT X 0.13 3 0.0 +X CF2 OE X 0.27 3 0.0 +X CF2 OS X 0.33 3 0.0 +X CF2 OT X 0.53 3 0.0 +X CF2 PO3 X 0.03 3 0.0 +X CF2 PT X 0.16 3 0.0 +X CF2 PUA1 X 0.1 3 0.0 +X CF2 SE X 0.27 3 0.0 +X CF2 SO1 X 0.33 3 0.0 +X CF2 SO2 X 0.4 3 0.0 +X CF2 SO3 X 0.4 3 0.0 +X CF2 ST X 0.12 3 0.0 +X CF3 CF3 X 0.01 3 0.0 +X CF3 CT X 0.12 3 0.0 +X CF3 CUA1 X 0.35 3 0.0 +X CF3 CUA2 X 0.35 3 0.0 +X CF3 CUY1 X 0.10 3 0.0 +X CF3 N X 0.10 3 0.0 +X CF3 NP X 0.25 3 0.0 +X CF3 NT X 0.13 3 0.0 +X CF3 OE X 0.15 3 0.0 +X CF3 SE X 0.12 3 0.0 +X CF3 ST X 0.12 3 0.0 +X CH1E C5R X 0.5 3 0.0 +X CH1E C6R X 0.5 3 0.0 +X CH1E CH1E X 0.4 3 0.0 +X CH1E CH2E X 0.6 3 0.0 +X CH1E CT X 0.28 3 0.0 +X CH1E CUA1 X 0.25 3 0.0 +X CH1E CUA2 X 0.25 3 0.0 +X CH1E CUY1 X 0.1 3 0.0 +X CH1E N5R X 0.08 3 0.0 +X CH1E N6R X 0.08 3 0.0 +X CH1E NO2 X 0.05 3 0.0 +X CH1E NP X 0.17 3 0.0 +X CH1E NT X 0.1 3 0.0 +X CH1E NX X 0.08 3 0.0 +X CH1E OE X 0.65 3 0.0 +X CH1E OS X 0.5 3 0.0 +X CH1E OT X 0.25 3 0.0 +X CH1E PT X 0.16 3 0.0 +X CH1E SE X 0.4 3 0.0 +X CH1E SO1 X 0.5 3 0.0 +X CH1E SO2 X 0.6 3 0.0 +X CH1E ST X 0.2 3 0.0 +X CH2E C5R X 0.1 3 0.0 +X CH2E C6R X 0.1 3 0.0 +X CH2E CH2E X 1.6 3 0.0 +X CH2E CT X 1.6 3 0.0 +X CH2E CUA1 X 0.35 3 0.0 +X CH2E CUA2 X 0.35 3 0.0 +X CH2E CUY1 X 0.1 3 0.0 +X CH2E N6R X 0.35 3 0.0 +X CH2E NO2 X 0.6 3 0.0 +X CH2E NP X 0.35 3 0.0 +X CH2E NT X 0.2 3 0.0 +X CH2E NX X 0.15 3 0.0 +X CH2E OE X 0.65 3 0.0 +X CH2E OS X 0.5 3 0.0 +X CH2E OT X 0.25 3 0.0 +X CH2E SE X 0.8 3 0.0 +X CH2E SO1 X 1.0 3 0.0 +X CH2E SO2 X 1.2 3 0.0 +X CH2E ST X 0.6 3 0.0 +X CQ66 CQ66 X 3.1 2 180.0 +X CQ66 CR56 X 3.1 2 180.0 +X CQ66 CR66 X 3.1 2 180.0 +X CQ66 CS66 X 3.1 2 180.0 +X CR55 CR55 X 3.1 2 180.0 +X CR55 CR56 X 3.1 2 180.0 +X CR55 NR55 X 3.1 2 180.0 +X CR56 CR56 X 3.1 2 180.0 +X CR56 CR66 X 3.1 2 180.0 +X CR56 N5R X 3.1 2 180.0 +X CR56 N6R X 3.1 2 180.0 +X CR56 NP X 3.1 2 180.0 +X CR56 NR56 X 3.1 2 180.0 +X CR56 O5R X 3.1 2 180.0 +X CR56 S5R X 3.1 2 180.0 +X CR66 CR66 X 3.1 2 180.0 +X CR66 CS66 X 3.1 2 180.0 +X CR66 N6R X 3.1 2 180.0 +X CR66 N6RP X 3.1 2 180.0 +X CR66 NP X 3.1 2 180.0 +X CR66 NR66 X 3.1 2 180.0 +X CR66 O6R X 3.1 2 180.0 +X CR66 P6R X 3.1 2 180.0 +X CR66 SO1 X 3.1 1 180.0 +X CS66 CS66 X 3.1 2 180.0 +C CT CT OE 0.85 3 0.0 +CT CT CT CT 0.70 1 0.0 +CT CT CT CT 0.13 3 0.0 +CT CT CT NO2 0.45 1 180.0 +CT CT CT NT 0.82 1 0.0 +CT CT CT OE 0.55 1 0.0 +CT CT CT OT 0.65 1 0.0 +CT CT CT XCL 0.05 1 0.0 +CT CT CT XF 0.40 1 0.0 +CT CT CUA1 CUA1 0.12 1 0.0 +CT CT CUA1 CUA1 4.4 3 180.0 +CT CT CUA2 CUA2 0.12 1 0.0 +CT CT CUA2 CUA2 4.4 3 180.0 +CT CT CUA3 CUA3 0.12 1 0.0 +CT CT CUA3 CUA3 4.4 3 180.0 +CT CT N5R N5R 0.07 3 0.0 +CT CT NT CT 1.15 1 0.0 +CT CT NT H 0.07 1 0.0 +CT CT OE CT 0.82 1 0.0 +CT CT OE CT 0.25 3 0.0 +CT CT OS C 0.10 3 0.0 +CT CT OT HO 0.35 1 0.0 +CT CT OT HO 0.35 3 0.0 +CT CT ST H 0.38 1 0.0 +CUA1 CT CT NP 0.85 3 0.0 +HA CT CUA1 CUA1 2.0 3 180.0 +HA CT CUA2 CUA2 2.0 3 180.0 +HA CT CUA3 CUA3 2.0 3 180.0 +HA CT OT HO 0.05 3 0.0 +NP CT CT OE 0.85 3 0.0 +NT CT NP CT 0.2 3 0.0 +OE CT OE CT 1.3 1 180.0 +OE CT OT HO 1.50 1 180.0 +OE CT OT HO 0.65 3 0.0 +OT CT CT OT 3.43 1 0.0 +OT CT CT OT 1.70 3 0.0 +XCL CT CT XCL 0.05 1 180.0 +XCL CT CUA1 CUA1 0.8 3 180.0 +XCL CT CUA2 CUA2 0.8 3 180.0 +XCL CT CUA3 CUA3 0.8 3 180.0 +X CT C5R X 0.01 6 0.0 +X CT C6R X 0.01 6 0.0 +X CT CT X 0.15 3 0.0 +X CT CT3 X 0.15 3 0.0 +X CT CT4 X 0.15 3 0.0 +X CT CUA1 X 1.2 3 180.0 +X CT CUA2 X 1.2 3 180.0 +X CT CUA3 X 1.2 3 180.0 +X CT CUY1 X 0.4 3 0.0 +X CT CUY2 X 0.4 3 0.0 +X CT MAL X 0.12 3 0.0 +X CT MMG X 0.15 3 0.0 +X CT MSE X 0.05 3 0.0 +X CT MSI X 0.09 3 0.0 +X CT MSIU X 0.10 3 0.0 +X CT MZN X 0.15 3 0.0 +X CT N X 0.07 3 0.0 +X CT N3 X 0.25 3 0.0 +X CT N5R X 0.15 6 180.0 +X CT N6R X 0.05 6 0.0 +X CT NC X 0.05 3 0.0 +X CT NO2 X 0.2 3 0.0 +X CT NP X 0.01 3 0.0 +X CT NT X 0.16 3 0.0 +X CT NX X 0.01 3 0.0 +X CT OE X 0.27 3 0.0 +X CT OS X 0.33 3 180.0 +X CT OT X 0.25 3 0.0 +X CT PO3 X 0.03 3 0.0 +X CT PT X 0.16 3 0.0 +X CT PUA1 X 0.1 3 0.0 +X CT SE X 0.45 4 0.0 +X CT SO1 X 0.33 3 0.0 +X CT SO2 X 0.4 3 0.0 +X CT SO3 X 0.4 3 0.0 +X CT ST X 0.17 3 0.0 +X CT3 CT3 X 0.16 3 0.0 +X CT3 CUA1 X 0.25 2 180.0 +X CT3 CUA3 X 0.25 2 180.0 +X CT3 N3 X 0.5 2 180.0 +X CT3 NT X 0.50 2 180.0 +X CT3 OE X 0.50 3 0.0 +X CT4 CT4 X 0.09 3 0.0 +X CT4 CUA1 X 0.25 2 180.0 +X CT4 CUA2 X 0.25 2 180.0 +X CT4 CUA3 X 0.25 2 180.0 +X CT4 NP X 0.10 3 180.0 +X CT4 NT X 0.77 3 0.0 +X CT4 NX X 0.01 3 180.0 +X CT4 OE X 0.7 3 0.0 +X CT4 OS X 0.7 3 0.0 +X CT4 SE X 0.25 3 0.0 +X CT4 ST X 0.25 3 0.0 +CH2E CUA1 CUA1 CH2E 0.56 1 0.0 +CT CUA1 CUA1 CT 0.36 1 0.0 +CT CUA1 CUA1 CT 3.55 2 180.0 +CT CUA1 CUA1 NP 3.45 2 180.0 +CUA1 CUA1 CUA2 CUA2 1.20 1 0.0 +CUA1 CUA1 CUA3 CUA3 1.20 1 0.0 +CUA1 CUA1 OE CT 1.18 1 180.0 +CUA1 CUA1 OE CT 1.80 2 180.0 +CUA1 CUA1 SE CUA1 3.1 2 180.0 +HA CUA1 CUA1 CT 3.45 2 180.0 +HA CUA1 CUA1 HA 3.45 2 180.0 +HA CUA1 CUA1 NP 3.45 2 180.0 +HA CUA1 OE CT 0.50 3 0.0 +X CUA1 C5R X 0.7 2 180.0 +X CUA1 C6R X 0.7 2 180.0 +X CUA1 CUA1 X 3.55 2 180.0 +X CUA1 CUA2 X 1.05 2 180.0 +X CUA1 CUA3 X 1.05 2 180.0 +X CUA1 CUY1 X 0.5 2 180.0 +X CUA1 CUY2 X 0.5 2 180.0 +X CUA1 MSE X 0.1 2 180.0 +X CUA1 MSIU X 3.45 2 180.0 +X CUA1 N X 0.5 3 0.0 +X CUA1 N3 X 0.16 3 0.0 +X CUA1 N5R X 0.25 2 180.0 +X CUA1 NP X 0.25 2 180.0 +X CUA1 NT X 0.16 3 0.0 +X CUA1 NX X 0.25 2 180.0 +X CUA1 OE X 2.5 2 180.0 +X CUA1 OS X 2.5 2 180.0 +X CUA1 OT X 1.5 2 180.0 +X CUA1 PT X 0.25 2 0.0 +X CUA1 SE X 1.5 3 0.0 +X CUA1 SO2 X 0.6 3 0.0 +X CUA1 ST X 0.1 3 0.0 +C5R CUA2 C5R N5R 1.25 2 180.0 +C5R CUA2 CUA2 NX 2.5 2 180.0 +CT CUA2 CUA2 CT 0.56 1 0.0 +CUA2 CUA2 C5R NX 2.5 2 180.0 +CUA2 CUA2 CUA3 CUA3 1.20 1 0.0 +X CUA2 C5R X 0.8 2 180.0 +X CUA2 C6R X 0.8 2 180.0 +X CUA2 CUA2 X 3.55 2 180.0 +X CUA2 CUA3 X 1.05 2 180.0 +X CUA2 CUY1 X 0.5 2 180.0 +X CUA2 CUY2 X 0.5 2 180.0 +X CUA2 MSE X 0.1 2 180.0 +X CUA2 N X 0.5 3 0.0 +X CUA2 N3 X 0.16 3 0.0 +X CUA2 N5R X 0.25 2 180.0 +X CUA2 NP X 0.25 2 180.0 +X CUA2 NT X 0.16 3 0.0 +X CUA2 NX X 0.25 2 180.0 +X CUA2 OE X 1.5 2 0.0 +X CUA2 OT X 1.5 2 180.0 +X CUA2 SE X 1.5 3 0.0 +X CUA2 SO2 X 0.6 3 0.0 +X CUA2 ST X 0.1 3 0.0 +CT CUA3 CUA3 CT 0.56 1 0.0 +X CUA3 CUA3 X 3.45 2 180.0 +X CUA3 OE X 1.5 2 0.0 +X CUY1 C5R X 0.5 2 0.0 +X CUY1 C6R X 0.5 2 0.0 +X CUY1 CUY1 X 0.05 4 0.0 +X CUY1 OS X 1.5 3 0.0 +X CUY2 C6R X 1.0 2 0.0 +X N N X 7.0 2 180.0 +X N NO2 X 2.5 2 180.0 +X N NP X 2.5 2 180.0 +X N NT X 1.75 2 180.0 +X N OE X 0.5 3 0.0 +X N OT X 1.3 3 0.0 +X N SE X 2.0 3 0.0 +X N SO2 X 1.75 3 0.0 +X N3 N3 X 1.50 2 0.0 +X N5R N5R X 2.25 2 0.0 +X N5R N5RP X 2.25 2 0.0 +X N5R NP X 2.25 2 0.0 +X N5R NR56 X 2.25 2 0.0 +X N5R O5R X 2.25 2 0.0 +X N5R S5R X 2.25 2 0.0 +X N5R SO2 X 0.6 3 0.0 +X N6R NR56 X 2.25 2 0.0 +X NP NO2 X 2.6 2 180.0 +X NP NP X 1.25 2 180.0 +X NP NT X 0.1 3 0.0 +X NP OE X 0.25 3 0.0 +X NP OS X 0.25 3 0.0 +X NP OT X 0.25 3 0.0 +X NP PT X 0.5 2 180.0 +X NP PUA1 X 1.00 2 0.0 +X NP SO1 X 1.25 2 0.0 +X NP SO2 X 1.25 3 0.0 +X NP SO3 X 1.25 3 0.0 +X NT MAL X 0.1 3 0.0 +X NT MSI X 0.3 3 0.0 +X NT NT X 0.23 3 0.0 +X NT OE X 0.12 3 0.0 +X NT PT X 0.16 3 0.0 +X NT SO2 X 0.4 3 0.0 +X NX OE X 0.25 3 0.0 +X NX PT X 0.5 2 180.0 +X NX SO2 X 0.4 3 0.0 +X NX SO3 X 0.4 3 0.0 +X O5R S5R X 2.25 2 0.0 +X OE NO2 X 1.20 2 180.0 +X OE PT X 0.10 3 0.0 +X OE SE X 0.10 3 0.0 +X OE SO3 X 0.08 3 0.0 +X OE SO4 X 0.07 3 0.0 +X OS OS X 0.70 2 0.0 +X OS PO3 X 0.07 3 0.0 +X OS PO4 X 0.07 3 0.0 +X OS PT X 0.07 3 0.0 +X OS SO4 X 0.07 3 0.0 +X OT PO3 X 0.07 3 0.0 +X OT PO4 X 0.07 3 0.0 +X OT PT X 0.07 3 0.0 +X OT SO3 X 0.07 3 0.0 +X OT SO4 X 0.07 3 0.0 +X PT PT X 0.20 2 0.0 +X PT SE X 0.33 3 0.0 +X PT ST X 0.33 3 0.0 +X PUA1 PUA1 X 2.0 2 0.0 +X SE SE X 2.0 2 0.0 +X ST ST X 4.5 2 0.0 +X MAL MAL X 0.1 3 0.0 +X MAL OE X 0.03 3 0.0 +X MAL OS X 0.26 3 0.0 +X MAL OT X 0.26 3 0.0 +X MAL PT X 0.26 3 0.0 +X MAS MAS X 0.15 3 0.0 +X MAS OS X 0.26 3 0.0 +X MAS OT X 0.26 3 0.0 +X MAS SE X 0.15 3 0.0 +X MCO MCO X 0.05 3 0.0 +X MCU N5R X 5.0 2 0.0 +X MCU NT X 2.5 2 0.0 +X MCU O X 5.0 2 0.0 +X MCU OE X 5.0 2 0.0 +X FE ST X 1.0 3 0.0 +X MGE CT X 0.15 3 0.0 +X MGE SE X 0.15 3 0.0 +X MSE MSE X 2.5 2 0.0 +X MSE OE X 0.3 3 0.0 +X MSE PT X 0.3 3 0.0 +OSI MSI OSI MSI 0.27 3 180.0 +OT MSI OSI MSI 0.27 3 180.0 +X MSI MSI X 0.16 3 0.0 +X MSI MSIU X 0.25 3 0.0 +X MSI O2M X 0.27 3 0.0 +X MSI OE X 0.55 3 0.0 +X MSI OS X 0.27 3 0.0 +X MSI OSI X 0.27 3 0.0 +X MSI OT X 0.10 3 0.0 +X MSI PT X 0.25 3 0.0 +IMPHI ! IMPROPER ANGLES; improper angles +FE X X NP 20.0 0 0.0! +C X X CR1E 25.0 0 0.0 +B X X XCL 55.0 0 35.26439 +C C OT O 65.0 0 0.0 +C C OT OAC 65.0 0 0.0 +C C5R OS OAC 147.0 0 0.0 +C C6R OS OAC 147.0 0 0.0 +C CH1E OS OAC 147.0 0 0.0 +C CH1E OT OAC 147.0 0 0.0 +C CH2E OS OAC 147.0 0 0.0 +C CH2E OT OAC 147.0 0 0.0 +C CH3E OS OAC 147.0 0 0.0 +C CH3E OT OAC 147.0 0 0.0 +C CT C OK 72.0 0 0.0 +C CT OS O 147.0 0 0.0 +C CT OS OAC 147.0 0 0.0 +C CT OT O 147.0 0 0.0 +C CT OT OAC 147.0 0 0.0 +C HA C OA 70.0 0 0.0 +C HA OS O 80.0 0 0.0 +C HA OS OAC 80.0 0 0.0 +C HA OT O 72.0 0 0.0 +C HA OT OAC 72.0 0 0.0 +C OC OC CH1E 100.0 0 0.0 +C OC OC CH2E 100.0 0 0.0 +C OC OC CH3E 100.0 0 0.0 +C OC OC CT 100.0 0 0.0 +C OT CT OAC 147.0 0 0.0 +C OT CUA1 OAC 147.0 0 0.0 +C X X C 100.0 0 0.0 +C X X C5R 90.0 0 0.0 +C X X C5RP 100.0 0 0.0 +C X X C5RQ 100.0 0 0.0 +C X X C6R 100.0 0 0.0 +C X X C6RE 100.0 0 0.0 +C X X C6RP 100.0 0 0.0 +C X X CH2E 60.0 0 0.0 +C X X CH3E 60.0 0 0.0 +C X X CQ66 100.0 0 0.0 +C X X CR56 100.0 0 0.0 +C X X CR66 100.0 0 0.0 +C X X CS66 100.0 0 0.0 +C X X CT 60.0 0 0.0 +C X X CUA1 100.0 0 0.0 +C X X CUA2 100.0 0 0.0 +C X X N 45.0 0 0.0 +C X X N5R 90.0 0 0.0 +C X X N6R 90.0 0 0.0 +C X X NC 90.0 0 0.0 +C X X NO2 90.0 0 0.0 +C X X NP 60.0 0 0.0 +C X X NR56 90.0 0 0.0 +C X X NR66 90.0 0 0.0 +C X X NT 90.0 0 0.0 +C X X NX 60.0 0 0.0 +C X X O 147.0 0 0.0 +C X X O5R 90.0 0 0.0 +C X X OA 78.0 0 0.0 +C X X OAC 147.0 0 0.0 +C X X OC 100.0 0 0.0 +C X X OE 90.0 0 0.0 +C X X OK 66.0 0 0.0 +C X X OS 40.0 0 0.0 +C X X OT 80.0 0 0.0 +C X X PUA1 90.0 0 0.0 +C X X S5R 90.0 0 0.0 +C X X S6R 90.0 0 0.0 +C X X SK 45.0 0 0.0 +C X X XBR 45.0 0 0.0 +C X X XCL 45.0 0 0.0 +C X X XF 45.0 0 0.0 +C X X XI 45.0 0 0.0 +C3 X X OK 125.0 0 0.0 +C4 X X NX 5.0 0 0.0 +C4 X X O 125.0 0 0.0 +C4 X X OK 125.0 0 0.0 +C5R X X C5R 130.0 0 0.0 +C5R X X C5RE 90.0 0 0.0 +C5R X X C5RP 130.0 0 0.0 +C5R X X C5RQ 130.0 0 0.0 +C5R X X CH1E 130.0 0 0.0 +C5R X X CH2E 130.0 0 0.0 +C5R X X CH3E 130.0 0 0.0 +C5R X X CR55 90.0 0 0.0 +C5R X X CR56 90.0 0 0.0 +C5R X X CT 130.0 0 0.0 +C5R X X CUA1 130.0 0 0.0 +C5R X X CUA2 130.0 0 0.0 +C5R X X CUY1 70.0 0 0.0 +C5R X X CUY2 70.0 0 0.0 +C5R X X MSE 45.0 0 0.0 +C5R X X N5R 90.0 0 0.0 +C5R X X N5RP 90.0 0 0.0 +C5R X X NP 40.0 0 0.0 +C5R X X NR55 90.0 0 0.0 +C5R X X NR56 90.0 0 0.0 +C5R X X O5R 40.0 0 0.0 +C5R X X OC 150.0 0 0.0 +C5R X X OE 150.0 0 0.0 +C5R X X OK 30.0 0 0.0 +C5R X X OS 90.0 0 0.0 +C5R X X OT 150.0 0 0.0 +C5R X X S5R 90.0 0 0.0 +C5R X X SE 90.0 0 0.0 +C5R X X SO2 45.0 0 0.0 +C5R X X XBR 90.0 0 0.0 +C5R X X XCL 90.0 0 0.0 +C5R X X XF 90.0 0 0.0 +C5R X X XI 90.0 0 0.0 +C5RE X X C5RE 90.0 0 0.0 +C5RE X X CR55 90.0 0 0.0 +C5RE X X CR56 90.0 0 0.0 +C5RE X X N5R 90.0 0 0.0 +C5RE X X NR55 90.0 0 0.0 +C5RE X X NR56 90.0 0 0.0 +C5RE X X O5R 40.0 0 0.0 +C5RE X X S5R 40.0 0 0.0 +C5RP X X C5RP 130.0 0 0.0 +C5RP X X C6RP 130.0 0 0.0 +C5RP X X N5R 130.0 0 0.0 +C5RP X X N5RP 130.0 0 0.0 +C5RP X X S5R 130.0 0 0.0 +C5RQ X X C5RQ 130.0 0 0.0 +C6R X X C5R 40.0 0 0.0 +C6R X X C6R 15.0 0 0.0 +C6R X X C6RE 40.0 0 0.0 +C6R X X C6RP 140.0 0 0.0 +C6R X X C6RQ 140.0 0 0.0 +C6R X X CH1E 130.0 0 0.0 +C6R X X CH2E 130.0 0 0.0 +C6R X X CH3E 130.0 0 0.0 +C6R X X CQ66 130.0 0 0.0 +C6R X X CR56 90.0 0 0.0 +C6R X X CR66 130.0 0 0.0 +C6R X X CS66 130.0 0 0.0 +C6R X X CT 130.0 0 0.0 +C6R X X CT3 130.0 0 0.0 +C6R X X CUA1 90.0 0 0.0 +C6R X X CUA2 90.0 0 0.0 +C6R X X CUY1 90.0 0 0.0 +C6R X X CUY2 90.0 0 0.0 +C6R X X MAL 90.0 0 0.0 +C6R X X MSE 45.0 0 0.0 +C6R X X MSI 90.0 0 0.0 +C6R X X N 90.0 0 0.0 +C6R X X N5R 90.0 0 0.0 +C6R X X N6R 90.0 0 0.0 +C6R X X N6RP 90.0 0 0.0 +C6R X X NO2 90.0 0 0.0 +C6R X X NP 90.0 0 0.0 +C6R X X NR56 90.0 0 0.0 +C6R X X NT 110.0 0 0.0 +C6R X X NX 90.0 0 0.0 +C6R X X O 90.0 0 0.0 +C6R X X O6R 90.0 0 0.0 +C6R X X OC 90.0 0 0.0 +C6R X X OE 150.0 0 0.0 +C6R X X OK 30.0 0 0.0 +C6R X X OS 90.0 0 0.0 +C6R X X OT 150.0 0 0.0 +C6R X X P6R 90.0 0 0.0 +C6R X X PO3 90.0 0 0.0 +C6R X X PT 90.0 0 0.0 +C6R X X S6R 40.0 0 0.0 +C6R X X SE 90.0 0 0.0 +C6R X X SO1 130.0 0 0.0 +C6R X X SO2 90.0 0 0.0 +C6R X X SO3 90.0 0 0.0 +C6R X X ST 90.0 0 0.0 +C6R X X XBR 90.0 0 0.0 +C6R X X XCL 90.0 0 0.0 +C6R X X XF 90.0 0 0.0 +C6R X X XI 90.0 0 0.0 +C6RE X X C6RE 05.0 0 0.0 +C6RE X X C6RP 90.0 0 0.0 +C6RE X X CQ66 90.0 0 0.0 +C6RE X X CR56 90.0 0 0.0 +C6RE X X CR66 90.0 0 0.0 +C6RE X X CS66 90.0 0 0.0 +C6RE X X N6R 90.0 0 0.0 +C6RE X X N6RP 90.0 0 0.0 +C6RE X X NP 90.0 0 0.0 +C6RE X X NR56 90.0 0 0.0 +C6RE X X NR66 90.0 0 0.0 +C6RE X X O6R 90.0 0 0.0 +C6RE X X P6R 90.0 0 0.0 +C6RP X X C6RP 130.0 0 0.0 +C6RP X X C6RQ 90.0 0 0.0 +C6RP X X CQ66 90.0 0 0.0 +C6RP X X CR56 90.0 0 0.0 +C6RP X X CR66 90.0 0 0.0 +C6RP X X CS66 90.0 0 0.0 +C6RP X X N5RP 90.0 0 0.0 +C6RP X X N6R 90.0 0 0.0 +C6RP X X N6RP 90.0 0 0.0 +C6RP X X NR66 90.0 0 0.0 +C6RP X X O6R 90.0 0 0.0 +C6RP X X P6R 90.0 0 0.0 +C6RQ X X C6RQ 130.0 0 0.0 +CH1E OE CH1E N5R 55.0 0 32.0 +CH1E OE CH1E N6R 55.0 0 32.0 +CH1E OE CH2E N5R 55.0 0 32.0 +CH1E OE CH2E N6R 55.0 0 32.0 +CH1E X X C 55.0 0 35.26439 +CH1E X X CH1E 55.0 0 32.0 +CH1E X X CH2E 55.0 0 32.0 +CH1E X X CH3E 55.0 0 35.26439 +CH1E X X CT 55.0 0 35.26439 +CH1E X X OE 55.0 0 35.26439 +CH1E X X OS 55.0 0 35.26439 +CH1E X X OT 55.0 0 35.26439 +CH1E X X XBR 55.0 0 35.26439 +CH1E X X XCL 55.0 0 35.26439 +CH1E X X XF 55.0 0 35.26439 +CH1E X X XI 55.0 0 35.26439 +CQ66 X X CQ66 90.0 0 0.0 +CQ66 X X CR66 90.0 0 0.0 +CQ66 X X CS66 90.0 0 0.0 +CQ66 X X N6R 150.0 0 0.0 +CQ66 X X NR66 150.0 0 0.0 +CQ66 X X O6R 150.0 0 0.0 +CQ66 X X S6R 40.0 0 0.0 +CR55 X X CR55 90.0 0 0.0 +CR55 X X CR56 90.0 0 0.0 +CR56 X X C5RP 90.0 0 0.0 +CR56 X X CQ66 90.0 0 0.0 +CR56 X X CR56 90.0 0 0.0 +CR56 X X CR66 90.0 0 0.0 +CR56 X X N5R 90.0 0 0.0 +CR56 X X N6R 90.0 0 0.0 +CR56 X X N6RP 90.0 0 0.0 +CR56 X X NP 90.0 0 0.0 +CR56 X X NR56 90.0 0 0.0 +CR56 X X NR66 90.0 0 0.0 +CR56 X X O5R 40.0 0 0.0 +CR56 X X OE 40.0 0 0.0 +CR56 X X OS 40.0 0 0.0 +CR56 X X S5R 90.0 0 0.0 +CR66 X X CR66 90.0 0 0.0 +CR66 X X CS66 90.0 0 0.0 +CR66 X X N6R 150.0 0 0.0 +CR66 X X N6RP 150.0 0 0.0 +CR66 X X NR66 150.0 0 0.0 +CR66 X X NP 90.0 0 0.0 +CR66 X X O6R 150.0 0 0.0 +CR66 X X OC 90.0 0 0.0 +CR66 X X OE 40.0 0 0.0 +CR66 X X OS 40.0 0 0.0 +CR66 X X P6R 90.0 0 0.0 +CR66 X X S6R 40.0 0 0.0 +CR66 X X SO1 90.0 0 0.0 +CS66 X X CS66 90.0 0 0.0 +CT X X CUA1 70.0 0 0.0 +CT X X CUA2 70.0 0 0.0 +CT X X CUA3 70.0 0 0.0 +CT X X MSI 55.0 0 35.26439 +CT X X N 45.0 0 0.0 +CT X X N3 35.0 0 0.0 +CT X X N5R 90.0 0 0.0 +CT X X N6R 90.0 0 0.0 +CT X X NP 45.0 0 0.0 +CT X X NT 55.0 0 35.26439 +CT X X NX 35.0 0 0.0 +CUA1 X X CF1 50.0 0 0.0 +CUA1 X X CF2 50.0 0 0.0 +CUA1 X X CF3 50.0 0 0.0 +CUA1 X X CT3 150.0 0 0.0 +CUA1 X X CT4 180.0 0 0.0 +CUA1 X X CUA1 150.0 0 0.0 +CUA1 X X CUA2 62.0 0 0.0 +CUA1 X X CUA3 62.0 0 0.0 +CUA1 X X MSE 45.0 0 0.0 +CUA1 X X MSIU 70.0 0 0.0 +CUA1 X X N 45.0 0 0.0 +CUA1 X X N3 45.0 0 0.0 +CUA1 X X NP 45.0 0 0.0 +CUA1 X X OE 45.0 0 0.0 +CUA1 X X OT 45.0 0 0.0 +CUA1 X X PT 45.0 0 0.0 +CUA1 X X SE 45.0 0 0.0 +CUA1 X X SO2 45.0 0 0.0 +CUA1 X X XBR 90.0 0 0.0 +CUA1 X X XCL 90.0 0 0.0 +CUA1 X X XF 90.0 0 0.0 +CUA1 X X XI 90.0 0 0.0 +CUA2 X X CF1 50.0 0 0.0 +CUA2 X X CF2 50.0 0 0.0 +CUA2 X X CF3 50.0 0 0.0 +CUA2 X X CT3 150.0 0 0.0 +CUA2 X X CT4 180.0 0 0.0 +CUA2 X X CUA2 70.0 0 0.0 +CUA2 X X CUA3 62.0 0 0.0 +CUA2 X X MSE 45.0 0 0.0 +CUA2 X X N3 45.0 0 0.0 +CUA2 X X OE 45.0 0 0.0 +CUA2 X X OT 45.0 0 0.0 +CUA2 X X SE 45.0 0 0.0 +CUA2 X X XBR 90.0 0 0.0 +CUA2 X X XCL 90.0 0 0.0 +CUA2 X X XF 90.0 0 0.0 +CUA2 X X XI 90.0 0 0.0 +CUA3 X X CT3 150.0 0 0.0 +CUA3 X X CT4 180.0 0 0.0 +CUA3 X X CUA3 70.0 0 0.0 +H CPH1 CPH2 NR1 0.45 0 0.0 +H CPH1 CPH2 NR3 1.2 0 0.0 +H CPH2 CPH1 NR1 0.45 0 0.0 +H CPH2 CPH1 NR3 1.2 0 0.0 +H X X N3 35.0 0 0.0 +H X X N5R 35.0 0 0.0 +H X X N6R 35.0 0 0.0 +HA CPH1 NR1 CPH1 0.5 0 0.0 +HA CPH1 NR2 CPH1 0.5 0 0.0 +HA CPH1 NR3 CPH1 1.0 0 0.0 +HA NR1 CPH1 CPH1 0.5 0 0.0 +HA NR1 NR2 CPH2 0.5 0 0.0 +HA NR2 CPH1 CPH1 0.5 0 0.0 +HA NR2 NR1 CPH2 0.5 0 0.0 +HA X X C 53.0 0 0.0 +HA X X C5R 75.0 0 0.0 +HA X X C6R 75.0 0 0.0 +HA X X CUA1 75.0 0 0.0 +HA X X CUA2 75.0 0 0.0 +HA X X CUA3 75.0 0 0.0 +HA X X MSI 55.0 0 35.26439 +HC X X NC 45.0 0 0.0 +N X X N 45.0 0 0.0 +N5R X X CH1E 45.0 0 0.0 +N5R X X CH2E 45.0 0 0.0 +N5R X X CUA1 90.0 0 0.0 +N5R X X N5R 90.0 0 0.0 +N5R X X NR56 90.0 0 0.0 +N5R X X O5R 50.0 0 0.0 +N5R X X OC 90.0 0 0.0 +N5R X X S5R 45.0 0 0.0 +N5R X X SO2 45.0 0 0.0 +N6R X X CH1E 45.0 0 0.0 +N6R X X CH2E 45.0 0 0.0 +N6R X X N6R 90.0 0 0.0 +N6R X X N6RP 90.0 0 0.0 +N6R X X NR56 90.0 0 0.0 +N6R X X NR66 90.0 0 0.0 +N6R X X O 50.0 0 0.0 +N6R X X OE 40.0 0 0.0 +N6R X X OS 40.0 0 0.0 +N6R X X S6R 40.0 0 0.0 +NC HC HC C 90.0 0 0.0 +NO2 X X CT 45.0 0 0.0 +NO2 X X N 35.0 0 0.0 +NO2 X X NO2 35.0 0 0.0 +NO2 X X O 45.0 0 0.0 +NO2 X X OE 45.0 0 0.0 +NP H H C 45.0 0 0.0 +NP NC NC C 100.0 0 0.0 +NP X X CH2E 60.0 0 0.0 +NP X X CH3E 60.0 0 0.0 +NP X X H 18.0 0 0.0 +NP X X N 45.0 0 0.0 +NP X X NO2 67.0 0 0.0 +NP X X NP 65.0 0 0.0 +NP X X NT 45.0 0 0.0 +NP X X OT 45.0 0 0.0 +NP X X PT 45.0 0 0.0 +NP X X SO2 45.0 0 0.0 +NP X X SO3 45.0 0 0.0 +NX X X CH1E 60.0 0 0.0 +NX X X CH2E 60.0 0 0.0 +NX X X CUA1 45.0 0 0.0 +NX X X H 18.0 0 0.0 +NX X X OE 45.0 0 0.0 +NX X X SO2 45.0 0 0.0 +NX X X SO3 45.0 0 0.0 +O5R X X O5R 90.0 0 0.0 +OE X X CT 40.0 0 0.0 +OE X X MAL 40.0 0 0.0 +OE X X OE 40.0 0 0.0 +OE X X OS 40.0 0 0.0 +OE X X S6R 40.0 0 0.0 +OE X X SE 5.0 0 0.0 +OS X X OS 40.0 0 0.0 +OS X X S6R 40.0 0 0.0 +PT X X CT 55.0 0 35.26439 +PT X X H 35.0 0 35.26439 +PT X X MSI 15.0 0 35.26439 +PT X X NT 15.0 0 35.26439 +PT X X PT 15.0 0 35.26439 +PT X X SE 15.0 0 35.26439 +PT X X XCL 15.0 0 35.26439 +PUA1 X X H 35.0 0 0.0 +PUA1 X X HA 35.0 0 0.0 +PUA1 X X PUA1 65.0 0 0.0 +S6R X X S6R 40.0 0 0.0 +SO1 X X O 5.0 0 0.0 +MAL X X CT 5.0 0 0.0 +MAL X X NT 5.0 0 0.0 +MAL X X PT 5.0 0 -60.0 +MCU NT O NT 55.0 0 0.0 +MCU O NT O 55.0 0 0.0 +MCU X X N5R 90.0 0 0.0 +FE X X N5R 10.0 0 0.0 +FE X X O5R 0.0 0 0.0 +FE X X OE 0.0 0 0.0 +NBONDED NBXMOD 5 ATOM CDIEL SWITCH VATOM VDISTANCE VSWITCH - +CUTNB 15.0 CTOFNB 14.0 CTONNB 11.0 EPS 1.0 E14FAC 0.5 WMIN 1.5 +! +! EMIN Rmin These columns used for +! (kcal/mol) (A) 1-4 interactions +! +N* 1.10 -0.0900 1.830 1.10 -0.1 1.63 +P* 3.0 -0.100 1.900 +M* 0.01 -0.001 0.650 +S* 0.34 -0.043 1.890 +AR 1.641 18.00 1.88 +B 1.50 -0.01 1.17 +CR1E 1.35 -0.1200 2.100 1.35 -0.1 1.9 ! ring carbons +C 1.65 -0.1410 1.870 +C3 1.65 -0.1410 1.870 +C4 1.65 -0.1410 1.870 +C5R 1.65 -0.0500 2.040 1.65 -0.1 1.76 +C5RE 1.35 -0.0903 2.100 1.35 -0.1 1.90 +C5RP 1.65 -0.0500 2.040 +C5RQ 1.65 -0.0500 2.040 +C6R 1.65 -0.0500 2.040 1.65 -0.1 1.76 +C6RE 1.35 -0.0903 1.990 1.35 -0.1 1.99 +C6RP 1.65 -0.0500 2.040 +C6RQ 1.65 -0.0500 2.040 +CF1 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CF2 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CF3 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CH1E 1.35 -0.0486 2.265 1.35 -0.1 1.76 +CH2E 1.77 -0.1142 2.235 1.77 -0.1 1.76 +CH3E 2.17 -0.1811 2.165 2.17 -0.1 1.76 +CM 1.65 -0.0262 2.490 +CP3 1.65 -0.0903 1.800 +CPH1 1.65 -0.0903 1.800 +CPH2 1.65 -0.0903 1.800 +CQ66 1.65 -0.0500 2.040 +CR55 1.65 -0.0500 2.040 +CR56 1.65 -0.0500 2.040 +CR66 1.65 -0.0500 2.040 +CS66 1.65 -0.0500 2.040 +CT 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CT3 1.65 -0.0903 1.800 +CT4 1.65 -0.0903 1.800 +CUA1 1.65 -0.0400 1.960 1.65 -0.1 1.76 +CUA2 1.65 -0.0400 1.960 +CUA3 1.65 -0.0400 1.960 +CUY1 1.65 -0.0300 2.100 +CUY2 1.65 -0.0300 2.100 +H 0.044 -0.0498 0.800 +HA 0.1 -0.0420 1.330 +HC 0.044 -0.0498 0.600 +HE 0.205 2.00 1.4 +HMU 0.044 -0.042 1.400 +HO 0.044 -0.0498 0.760 +HT 0.044 -0.0498 0.920 +KR 2.484 36.00 2.02 +LP 0.00 -0.04598 0.2245 +N5R 0.0 -0.0900 1.720 +NE 0.396 10.00 1.54 +NR1 0.0 -0.2000 1.850 +NR2 0.0 -0.2000 1.850 +NR3 0.0 -0.2000 1.850 +NT 0.0 -0.1500 1.650 +O 0.84 -0.1591 1.550 0.84 -0.20 1.36 +O2M 0.84 -0.001 0.650 +O5R 0.84 -0.1591 1.600 +O6R 0.84 -0.1591 1.600 +OA 0.84 -0.1591 1.540 0.84 -0.20 1.36 +OAC 0.84 -0.1591 1.520 0.84 -0.20 1.36 +OC 2.14 -0.1591 1.660 +OE 0.84 -0.1591 1.600 0.84 -0.20 1.36 +OH2 0.00 -0.0758 1.739 +OK 0.84 -0.1591 1.550 0.84 -0.20 1.36 +OM 0.84 -0.1591 1.540 +OS 0.84 -0.1591 1.600 0.84 -0.20 1.36 +OSH 0.01 -0.1591 1.600 +OSI 0.84 -0.1591 1.830 +OT 0.84 -0.1521 1.550 0.84 -0.20 1.48 +OW 0.84 -0.1521 1.768 +PT 0.0 -0.100 1.800 +PUY1 0.0 -0.100 1.800 +RN 5.300 86.00 2.25 +SE 0.00 -0.043 1.970 +XAT 2.880 -0.3200 2.180 +XBR 2.880 -0.3200 2.180 +XCL 1.91 -0.2600 2.060 +XE 4.044 54.00 2.16 +XF 0.32 -0.1000 1.700 0.32 -0.15 1.55 +XI 4.690 -0.8000 2.040 +MAL 0.29 -0.250 2.660 +MAS 0.00 -0.060 2.000 +MBA 0.0 -0.160 1.900 +MBE 0.00 -0.003 1.100 +MCA 0.00 -0.060 1.744 +MCS 2.90 -0.00449 2.909 +MCU 0.00 -0.060 1.380 +FE 0.01 -0.020 1.465 +MGE 0.00 -0.045 1.700 +MK 1.93 -0.0100 2.350 +MLI 0.025 -0.007 1.236 +MMG 0.00 -0.045 1.439 +MMN 0.00 -0.700 1.600 +MNA 0.17 -0.026 1.650 +MNI 0.00 -0.050 1.000 +MPD 0.00 -0.010 1.340 +MPT 0.0 -0.010 1.330 +MRB 1.90 -0.00653 2.661 +MRH 2.90 -0.0250 1.570 +MRU 2.90 -0.0250 1.650 +MSI 0.10 -0.310 2.500 0.10 -0.20 2.20 +MSIU 0.10 -0.310 2.600 +MSN 2.9 -0.045 1.900 +MSR 0.0 -0.1719 1.977 +MYB 0.00 -0.060 1.755 +MZN 0.0 -0.250 1.090 +MZR 1.90 -0.0100 2.030 +! +NBFIX +! +!MSI MSI -0.2500 0.84 !this must be turned on if polarization used +!MAL MAL -0.2500 1.00 !this must be turned on if polarization used +!CT HO -0.15 3.00 +!HA HO -0.05 3.10 +!HT HT -0.04598 0.4490 +!HT OW -0.08363 1.9927 +!O2M MAL -0.1855 2.81 +!O2M MSI -0.1855 2.61 +!O2M O2M -0.5596 3.59 +!OSH MAL 0.0 0.000001 +!OSH MSI 0.0 0.000001 +!OSH O2M 0.0 0.000001 +!OSH OSH 0.0 0.000001 +!OW OW -0.152073 3.5365 +!FE N5R -0.05 2.70 +!FE OM -0.05 1.58 +HBOND AEXP 4 REXP 6 HAEX 4 AAEX 2 NOACCEPTORS HBNOEXCLUSIONS ALL - +CUTHB 0.5 CTOFHB 5.0 CTONHB 4.0 CUTHA 90.0 CTOFHA 90.0 CTONHA 90.0 +! +N* N* -3.00 3.00 +N* O* -3.50 2.90 +OT N* -4.00 2.85 +O* O* -4.25 2.75 +! + +VOLUME +H 0.310 +HA 0.310 !ADDED VOLUME -- POLAR H +HC 0.529 +HO 0.440 +HT 0.440 +C 12.403 +CH1E 12.257 +CH2E 35.356 +CH3E 40.947 +CR1E 18.583 +CR56 18.583 !ADDED VOLUME -- AROMATIC C +CR66 18.583 !ADDED VOLUME -- AROMATIC C +C5RE 18.583 !ADDED VOLUME -- AROMATIC C +C5R 12.403 !ADDED VOLUME -- AROMATIC C w/NO H +C6RE 18.583 !ADDED VOLUME -- AROMATIC C +C6R 12.403 !ADDED VOLUME -- AROMATIC C w/NO H +C6RP 12.403 !ADDED VOLUME -- THIS IS BASICALLY C6R?? +CUA1 12.403 !ADDED VOLUME -- DOUBLE BONDED C +CUY1 12.403 !ADDED VOLUME -- TRIPLE BONDED C +CUY2 12.403 !ADDED VOLUME -- TRIPLE BONDED C +CT 12.403 !ADDED VOLUME -- TETRAHEDRAL C +CM 0.000 +LP 0.000 +NX 0.000 !renamed from N to comform to parm.prm +N 16.611 !N IN UREA +N5R 1.879 !PYROLE RING IN TRP, HIS, etc. +N6R 1.879 !ADDED VOLUME - FRAGMENTS +NC 17.428 !NH's ON ARG -- SOMEWHERE BETWEEN NC2 & NH3?? +NT 15.521 !NH's on LYS +NR 16.611 +NP 1.879 +NH1 1.708 +NH2 18.677 +NH3 15.521 +NC2 19.336 +O 14.375 +OC 16.404 +OA 16.404 !THIS IS BASICALLY AN UNCHARGED CARBOXYL O +OAC 16.404 !"" FOR ACIDS +OT 21.427 !HYDROXYL +OS 21.427 !ESTER O -- THIS IS BASICALLY TETRAHEDRAL +OE 21.427 !ADDED VOLUME - ESTER O -- THIS IS BASICALLY TETRAHEDRAL +OW 21.427 !WATER +OH1 21.427 +OH2 21.427 !WATER +OM 20.545 +S 15.196 +SE 15.196 !GENERAL SULFUR +SH1E 28.529 !SULFUR IN SO4 FROM PARAM19 +ST 15.196 !TETRAHEDRAL SULFUR +FE 0.411 + +END diff --git a/test/data/BACE_4_rec_pdbamino.rtf b/test/data/BACE_4_rec_pdbamino.rtf new file mode 100644 index 0000000..21d0b1d --- /dev/null +++ b/test/data/BACE_4_rec_pdbamino.rtf @@ -0,0 +1,4327 @@ +* ... +* ... +* Copyright (c) 1986, 1987, 1988, 1989, 1990, 1991, 1992 +* Molecular Simulations Incorporated +* Confidential and Proprietary: All Rights Reserved +* ... +* .... +* TEMPLATE FOR CREATING CHARMm RTF file +* .... +* (%_m) replaced by first 4 characters of molecule name +* in QUANTA (if used) +* .. +* Build RTF for %m +* ... +* sorted alphabetically; metals follow organics +* Atom type numbers 201-229 are reserved for special QUANTA display atom types. +* Atom type numbers 235-253 are reserved for special XPLOR Engh and Huber types +* Last current active number is 253. +* + 22 0 +MASS 170 AR 39.948 Ar ! Argon +MASS 7 B 10.81 B ! Boron +MASS 14 C 12.01100 C ! Carbonyl or Guanidinium carbon +MASS 190 C3 12.01100 C ! Carbonyl carbon in 3-membered aliphatic ring +MASS 192 C4 12.01100 C ! Carbonyl carbons in 4-membered aliphatic ring +MASS 21 C5R 12.01100 C ! Aromatic carbon in a five membered ring +MASS 248 C5W 12.01100 C ! Aromatic carbon in a five membered ring E&H +MASS 23 C5RE 13.01900 C ! Extended aromatic carbon in five membered ring +MASS 28 C5RP 12.01100 C ! for Aryl-Aryl bond between C5R rings +MASS 189 C5RQ 12.01100 C ! for second Ar-Ar bond between C5RP rings (ortho) +MASS 22 C6R 12.01100 C ! Aromatic carbon in a six membered ring +MASS 243 CF 12.01100 C ! Aromatic carbon in 6 membered ring trp E&H +MASS 251 CY 12.01100 C ! Aromatic carbon in 6 membered ring tyr E&H +MASS 252 CY2 12.01100 C ! Aromatic carbon in 6 membered ring tyr E&H +MASS 24 C6RE 13.01900 C ! Extended aromatic carbon in six membered ring +MASS 244 CR1E 13.01900 C ! Extended aromatic carbon six membered ring E&H +MASS 250 CR1W 12.01100 C ! Extended aromatic carbon six ring trp E&H +MASS 29 C6RP 12.01100 C ! for Aryl-Aryl bond between C6R rings +MASS 194 C6RQ 12.01100 C ! Carbon of C6RP type ortho to C6RP pair +MASS 230 CF1 12.01100 C ! Carbon with one Fluorine +MASS 231 CF2 12.01100 C ! Carbon with two Fluorines +MASS 232 CF3 12.01100 C ! Carbons with three Fluorines +MASS 11 CH1E 13.01900 C ! Extended atom carbon with one hydrogen +MASS 12 CH2E 14.02700 C ! Extended atom carbon with two hydrogens +MASS 246 CH2P 14.02700 C ! Extended atom carbon with two h - pro E&H +MASS 237 CH2G 14.02700 C ! Extended atom carbon with two hydrogens E&H +MASS 13 CH3E 15.03500 C ! Extended atom carbon with three hydrogens +MASS 15 CM 12.01100 C ! Carbonmonoxide, or other triply bonded, carbon +MASS 199 CP3 12.01100 C ! Carbon on nitrogen in proline ring +MASS 197 CPH1 12.01100 C ! CG and CD2 carbons in histidine ring +MASS 238 C5 12.01100 C ! CG carbons in histidine ring E&H +MASS 239 CR1H 13.01900 C ! CD2 carbons in histidine ring E&H +MASS 198 CPH2 13.01900 C ! CE1 carbon in histidine ring +MASS 240 CRHH 13.01900 C ! CE1 carbon in histidine ring E&H +MASS 195 CQ66 12.01100 C ! Third adjacent pair of CR66 types in fused rings +MASS 25 CR55 12.01100 C ! Aromatic carbon-merged five membered rings +MASS 26 CR56 12.01100 C ! Aromatic carbon-merged five/six membered rings +MASS 249 CW 12.01100 C ! Aromatic carbon-merged five/six membered rings +MASS 27 CR66 12.01100 C ! Aromatic carbon-merged six membered rings +MASS 196 CS66 12.01100 C ! Second adjacent pair of CR66 types in fused rings +MASS 10 CT 12.01100 C ! Aliphatic carbon (tetrahedral) +MASS 191 CT3 12.01100 C ! in 3-membered aliphatic ring, usually tetrahedral +MASS 193 CT4 12.01100 C ! in 4-membered aliphatic ring, usually tetrahedral +MASS 16 CUA1 12.01100 C ! Carbon in double bond, first pair +MASS 17 CUA2 12.01100 C ! Carbon in double bond, second conjugated pair +MASS 20 CUA3 12.01100 C ! Carbon in double bond, third conjugated pair +MASS 18 CUY1 12.01100 C ! Carbon in triple bond, first pair +MASS 19 CUY2 12.01100 C ! Carbon in triple bond, second conjugated pair +MASS 1 H 1.00800 H ! Hydrogen bonding hydrogen (neutral group) +MASS 3 HA 1.00800 H ! Aliphatic or aromatic hydrogen +MASS 2 HC 1.00800 H ! Hydrogen bonding hydrogen (charged group) +MASS 168 HE 4.00260 He ! Helium +MASS 9 HMU 1.00800 H ! Mu-bonded hydrogen for metals and boron-hydride +MASS 8 HO 1.00800 H ! Hydrogen on an alcohol oxygen +MASS 4 HT 1.00800 H ! TIPS3P water model hydrogen +MASS 171 KR 83.80 Kr ! Krypton +MASS 5 LP 0.0 ! ST2 lone pair +MASS 31 N 14.00670 N ! Nitrogen; planar-valence of 3, i.e. nitrile, etc. +MASS 235 NH1 14.00670 N ! Nitrogen; planar-valence of 3 E&H - peptide +MASS 236 NH2 14.00670 N ! Nitrogen; planar-valence of 3 E&H - amide +MASS 241 NH3 14.00670 N ! Nitrogen; E&H - amino +MASS 245 NPX 14.00670 N ! Proline nitrogen, or similar E&H +MASS 234 N3 14.00670 N ! Nitrogen in a three membered ring +MASS 34 N5R 14.00670 N ! Nitrogen in a five membered aromatic ring +MASS 30 N5RP 14.00670 N ! for Ar-Ar bond between five membered rings +MASS 35 N6R 14.00670 N ! Nitrogen in a six membered aromatic ring +MASS 39 N6RP 14.00670 N ! for Aryl-Aryl bond between six membered rings +MASS 37 NC 14.00670 N ! Charged guanidinium-type nitrogen +MASS 186 NC2 14.00670 N ! for neutral guanidinium group - Arg sidechain +MASS 169 NE 20.179 Ne ! Neon +MASS 38 NO2 14.00670 N ! Nitrogen in nitro, or related, group +MASS 32 NP 14.00670 N ! Nitrogen in peptide, amide, or related, group +MASS 183 NR1 14.00670 N ! Protonated nitrogen in neutral histidine ring +MASS 184 NR2 14.00670 N ! Unprotonated nitrogen in neutral histidine ring +MASS 185 NR3 14.00670 N ! Nitrogens in charged histidine ring +MASS 182 NR55 14.00670 N ! N at fused bond between two 5-membered aromatics +MASS 180 NR56 14.00670 N ! N at fused bond between 5 and 6-membered aryls +MASS 181 NR66 14.00670 N ! N at fused bond between two 6-membered aromatics +MASS 36 NT 14.00670 N ! Nitrogen (tetrahedral), i.e. Amine, etc. +MASS 33 NX 14.00670 N ! Proline nitrogen, or similar +MASS 40 O 15.99940 O ! Carbonyl oxygen for amides, or related structures +MASS 56 O2M 15.99940 O ! Oxygen in Si-O-Al or Al-O-Al bond +MASS 52 O5R 15.99940 O ! Oxygen in 5 membered aromatic ring-radicals, etc. +MASS 53 O6R 15.99940 O ! Oxygen in 6 membered aromatic ring-radicals, etc. +MASS 41 OA 15.99940 O ! Carbonyl oxygen for aldehydes, or related +MASS 51 OAC 15.99940 O ! Carbonyl oxygen for acids, or related +MASS 43 OC 15.99940 O ! Charged oxygen +MASS 50 OE 15.99940 O ! Ether oxygen / Acetal oxygen +MASS 47 OH2 15.99940 O ! ST2 water model oxygen +MASS 42 OK 15.99940 O ! Carbonyl oxygen for ketones, or related +MASS 48 OM 15.99940 O ! Carbonmonoxide, or other triply bonded, oxygen +MASS 49 OS 15.99940 O ! Ester oxygen +MASS 57 OSH 0.00000 O ! Massless O for zeolites, or related cage cmpds. +MASS 55 OSI 15.99940 O ! Oxygen in Si-O-Si bond +MASS 45 OT 15.99940 O ! Hydroxyl oxygen (tetrahedral) or Ionizable acid +MASS 247 OH1 15.99940 O ! Hydroxyl oxygen (tetrahedral) E&H +MASS 46 OW 15.99940 O ! TIP3P water model oxygen +MASS 64 P6R 30.9738 P ! Phosphorous in aromatic 6-membered ring +MASS 61 PO3 30.9738 P ! Phosphorous bonded to three oxygens +MASS 62 PO4 30.9738 P ! Phosphorous bonded to four oxygens +MASS 60 PT 30.9738 P ! Phosphorous, general; usually tetrahedral +MASS 63 PUA1 30.9738 P ! Phosphorous double bond +MASS 233 PUY1 30.9738 P ! Triple bonded phosphorus +MASS 173 RN 222.0 Rn ! Radon +MASS 72 S5R 32.0600 S ! Sulphur in a five membered aromatic ring +MASS 73 S6R 32.0600 S ! Sulphur in a six membered aromatic ring +MASS 74 SE 32.060 S ! Thioether sulphur +MASS 242 SM 32.060 S ! Thioether sulphur E&H +MASS 253 S 32.060 S ! Thioether sulphur E&H +MASS 71 SH1E 33.06800 S ! Extended atom sulphur with one hydrogen +MASS 75 SK 32.060 S ! Thioketone sulphur +MASS 76 SO1 32.0600 S ! Sulphur bonded to one oxygen +MASS 77 SO2 32.0600 S ! Sulphur bonded to two oxygens +MASS 78 SO3 32.0600 S ! Sulphur bonded to three oxygens +MASS 79 SO4 32.0600 S ! Sulphur bonded to four oxygens +MASS 70 ST 32.06000 S ! Sulphur, general; usually tetrahedral +MASS 131 XAT 210.0 At ! Astatine +MASS 94 XBR 79.904 Br ! Bromine +MASS 93 XCL 35.45300 Cl ! Chlorine +MASS 172 XE 131.29 Xe ! Xenon +MASS 92 XF 18.99840 F ! Fluorine +MASS 95 XI 126.9045 I ! Iodine +MASS 126 MAC 227.0278 Ac ! Actinium +MASS 111 MAG 107.868 Ag ! Silver +MASS 91 MAL 26.9815 Al ! ALuminum +MASS 159 MAM 243.0 Am ! Americium +MASS 101 MAS 74.9216 As ! Arsenic +MASS 119 MAU 196.08 Au ! Gold +MASS 115 MBA 137.33 Ba ! Barium +MASS 6 MBE 9.01218 Be ! Beryllium +MASS 122 MBI 208.9804 Bi ! Bismuth +MASS 161 MBK 247.0 Bk ! Berkelium +MASS 84 MCA 40.080 Ca ! Calcium +MASS 112 MCD 112.41 Cd ! Cadmium +MASS 124 MCE 140.12 Ce ! Cerium +MASS 162 MCF 251.0 Cf ! Californium +MASS 160 MCM 247.0 Cm ! Curium +MASS 99 MCO 58.9332 Co ! Cobalt +MASS 98 MCR 51.996 Cr ! Chromium +MASS 89 MCS 132.9054 Cs ! Cesium +MASS 96 MCU 63.546 Cu ! Copper +MASS 150 MDY 162.50 Dy ! Dysprosium +MASS 152 MER 167.26 Er ! Erbium +MASS 163 MES 252.0 Es ! Einsteinium +MASS 147 MEU 151.96 Eu ! Europium +MASS 164 MFM 257.0 Fm ! Fermium +MASS 86 FE 55.847 Fe ! Iron +MASS 142 MFR 223.0 Fr ! Francium +MASS 135 MGA 69.72 Ga ! Gallium +MASS 148 MGD 157.25 Gd ! Gadolinium +MASS 136 MGE 72.59 Ge ! Germanium +MASS 175 MHA 262.0 Ha ! Hahnium +MASS 138 MHF 178.49 Hf ! Hafnium +MASS 120 MHG 200.59 Hg ! Mercury +MASS 151 MHO 164.9304 Ho ! Holmium +MASS 137 MIN 114.82 In ! Indium +MASS 140 MIR 192.22 Ir ! Iridium +MASS 83 MK 39.098 K ! Potassium +MASS 123 MLA 138.9055 La ! Lanthanum +MASS 80 MLI 6.941 Li ! Lithium +MASS 167 MLR 260.0 Lr ! Lawrencium +MASS 155 MLU 174.967 Lu ! Lutetium +MASS 165 MMD 258.0 Md ! Medelevium +MASS 82 MMG 24.305 Mg ! Magnesium +MASS 85 MMN 54.938 Mn ! Manganese +MASS 107 MMO 95.94 Mo ! Molybdenum +MASS 81 MNA 22.9898 Na ! Sodium +MASS 106 MNB 92.9064 Nb ! Niobium +MASS 144 MND 144.24 Nd ! Neodymium +MASS 100 MNI 58.69 Ni ! Nickel +MASS 166 MNO 259.0 No ! Nobelium +MASS 157 MNP 237.0482 Np ! Neptunium +MASS 117 MOS 190.2 Os ! Osmium +MASS 156 MPA 231.0359 Pa ! Protactinium +MASS 121 MPB 207.2 Pb ! Lead +MASS 110 MPD 106.42 Pd ! Palladium +MASS 145 MPM 145.0 Pm ! Promethium +MASS 130 MPO 209.0 Po ! Polonium +MASS 125 MPR 140.9077 Pr ! Praseodymium +MASS 118 MPT 195.08 Pt ! Platinum +MASS 158 MPU 244.0 Pu ! Plutonium +MASS 143 MRA 226.0254 Ra ! Radium +MASS 88 MRB 85.4678 Rb ! Rubidium +MASS 176 MRE 186.31 Re ! Rhenium +MASS 174 MRF 261.0 Rf ! Rutherfordium/Kurchatovium +MASS 109 MRH 102.9055 Rh ! Rhodium +MASS 108 MRU 101.07 Ru ! Ruthenium +MASS 114 MSB 121.75 Sb ! Antimony +MASS 133 MSC 44.9559 Sc ! Scandium +MASS 102 MSE 78.96 Se ! Selenium +MASS 90 MSI 28.0855 Si ! Silicon +MASS 177 MSIU 28.08550 Si ! Silicon when as double bond +MASS 146 MSM 150.36 Sm ! Samarium +MASS 113 MSN 118.69 Sn ! Tin +MASS 103 MSR 87.62 Sr ! Strontium +MASS 139 MTA 180.9479 Ta ! Tantalum +MASS 149 MTB 158.9254 Tb ! Terbium +MASS 132 MTC 98.0 Tc ! Technetium +MASS 129 MTE 127.60 Te ! Tellurium +MASS 127 MTH 232.0381 Th ! Thorium +MASS 134 MTI 47.88 Ti ! Titanium +MASS 141 MTL 204.383 Tl ! Thallium +MASS 153 MTM 168.9342 Tm ! Thulium +MASS 128 MU 238.0289 U ! Uranium +MASS 97 MV 50.9415 V ! Vanadium +MASS 116 MW 183.85 W ! Tungsten +MASS 104 MY 88.9059 Y ! Yttrium +MASS 154 MYB 173.04 Yb ! Ytterbium +MASS 87 MZN 65.38 Zn ! Zinc +MASS 105 MZR 91.22 Zr ! Zirconium + +DECL -CA +DECL -C +DECL -O +DECL -N +DECL +N +DECL +H +DECL +CA +DECL +CB +DECL +CG +DECL +CD +DECL +CE +DECL +CZ + + + +AUTOGENERATE ANGLES DIHE +DEFA FIRS NTER LAST CTER + +RESI ZN2 2.00 ! Zinc ion +GROUP +ATOM ZN MZN 2.00 +PATCHING FIRST NONE LAST NONE + +RESI ZN 2.00 ! Zinc ion, alt +GROUP +ATOM ZN MZN 2.00 +PATCHING FIRST NONE LAST NONE + +RESI CAL 2.00 ! Calcium ion +GROUP +ATOM CAL MCA 2.00 +PATCHING FIRST NONE LAST NONE + +RESI CA 2.00 ! Calcium ion, alt +GROUP +ATOM CA MCA 2.00 +PATCHING FIRST NONE LAST NONE + +! +! The following residue definitions comprise the 20 naturally occurring +! amino acids +! + +RESI ALA 0.00 ! Alanine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 + +RESI ARG 1.00 ! Arginine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH2E 0.10 +ATOM NE NP -0.40 +ATOM HE H 0.30 +ATOM CZ C 0.50 +GROU +ATOM NH1 NC -0.45 +ATOM HH11 HC 0.35 +ATOM HH12 HC 0.35 +GROU +ATOM NH2 NC -0.45 +ATOM HH21 HC 0.35 +ATOM HH22 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD NE NE HE +BOND NE CZ CZ NH1 CZ NH2 NH1 HH11 NH1 HH12 +BOND NH2 HH21 NH2 HH22 +IMPH N -C CA H C CA +N O CA N C CB +IMPH NE CD CZ HE CZ NH1 NH2 NE NH1 HH12 HH11 CZ +IMPH NH2 HH22 HH21 CZ +DONO H N +DONO HE NE +DONO HH11 NH1 +DONO HH12 NH1 +DONO HH21 NH2 +DONO HH22 NH2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD NE CZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD NE CZ NH1 0.0000 0.00 180.00 0.00 0.0000 +IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 +IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 +IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 +IC HH21 CZ *NH2 HH22 0.0000 0.00 180.00 0.00 0.0000 + +RESI ARGN 0.00 ! Neutral arginine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH2E 0.10 +ATOM NE NP -0.40 +ATOM HE H 0.30 +ATOM CZ C -0.20 +GROU +ATOM NH1 NC -0.45 +ATOM HH11 HC 0.35 +ATOM HH12 HC 0.35 +GROU +ATOM NH2 NC -0.30 +ATOM HH21 HC 0.25 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD NE NE HE +BOND NE CZ CZ NH1 CZ NH2 NH1 HH11 NH1 HH12 +BOND NH2 HH21 +IMPH N -C CA H C CA +N O CA N C CB +IMPH NE CD CZ HE CZ NH1 NH2 NE NH1 HH12 HH11 CZ +DONO H N +DONO HE NE +DONO HH11 NH1 +DONO HH12 NH1 +DONO HH21 NH2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD NE CZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD NE CZ NH1 0.0000 0.00 180.00 0.00 0.0000 +IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 +IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 +IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 + +RESI ASN 0.00 ! Asparagine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG C 0.55 +ATOM OD1 O -0.55 +GROU +ATOM ND2 NP -0.60 +ATOM HD21 H 0.30 +ATOM HD22 H 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD1 CG ND2 ND2 HD21 +BOND ND2 HD22 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG OD1 ND2 CB ND2 HD21 HD22 CG +! inverted for new IMPH rules +! IMPH CG ND2 CB OD1 ND2 HD21 HD22 CG +DONO H N +DONO HD21 ND2 +DONO HD22 ND2 +ACCE OD1 CG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 +IC OD1 CB *CG ND2 0.0000 0.00 180.00 0.00 0.0000 +IC OD1 CG ND2 HD21 0.0000 0.00 180.00 0.00 0.0000 +IC HD21 CG *ND2 HD22 0.0000 0.00 180.00 0.00 0.0000 + +RESI ASP -1.00 ! Aspartic acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C 0.14 +ATOM OD1 OC -0.57 +ATOM OD2 OC -0.57 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD1 CG OD2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG OD1 OD2 CB +DONO H N +ACCE OD1 CG +ACCE OD2 CG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 +IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 + + +RESI ASPH 0.00 ! Aspartic acid - Protonated +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C 0.70 +ATOM OD1 OAC -0.55 +ATOM OD2 OT -0.40 +ATOM HD H 0.25 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD1 CG OD2 OD2 HD +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG OD1 OD2 CB +DONO H N +DONO HD OD2 +ACCE OD1 CG +ACCE OD2 CG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 +IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG OD2 HD 0.0000 0.00 180.00 0.00 0.0000 + +RESI CYS 0.00 ! Cysteine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.19 +ATOM SG SH1E -0.19 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB SG +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB SG 0.0000 0.00 -170.00 0.00 0.0000 +IC C CA CB SG 0.0000 0.00 65.00 0.00 0.0000 + +RESI GLN 0.00 ! Glutamine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD C 0.55 +ATOM OE1 O -0.55 +GROU +ATOM NE2 NP -0.60 +ATOM HE21 H 0.30 +ATOM HE22 H 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD OE1 CD NE2 +BOND NE2 HE21 NE2 HE22 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CD OE1 NE2 CG NE2 HE21 HE22 CD +! inverted for new IMPH rules +! IMPH CD NE2 CG OE1 NE2 HE21 HE22 CD +DONO H N +DONO HE21 NE2 +DONO HE22 NE2 +ACCE OE1 CD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CG *CD NE2 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CD NE2 HE21 0.0000 0.00 180.00 0.00 0.0000 +IC HE21 CD *NE2 HE22 0.0000 0.00 180.00 0.00 0.0000 + +RESI GLU -1.00 ! Glutamic acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.00 +ATOM CD C 0.14 +ATOM OE1 OC -0.57 +ATOM OE2 OC -0.57 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD OE1 CD OE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CD OE1 OE2 CG +DONO H N +ACCE OE1 CD +ACCE OE2 CD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CG *CD OE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI GLUH 0.00 ! Glutamic acid-Protonated +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.00 +ATOM CD C 0.70 +ATOM OE1 OAC -0.55 +ATOM OE2 OT -0.40 +ATOM HE H 0.25 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD OE1 CD OE2 +BOND OE2 HE +IMPH N -C CA H C CA +N O CA N C CB +IMPH CD OE2 OE1 CG +DONO H N +DONO HE OE2 +ACCE OE1 CD +ACCE OE2 CD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD OE2 0.0000 0.00 180.00 0.00 0.0000 +IC OE2 CG *CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD OE2 HE 0.0000 0.00 180.00 0.00 0.0000 + +RESI GLY 0.00 ! Glycine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E 0.10 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +IMPH N -C CA H C CA +N O +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +PATC FIRS GLYP LAST CGLY + +RESI HIS 0.00 ! Histidine (uncharged with proton on nd1) +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM HD1 H 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM CE1 C5RE 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG ND1 CG CD2 ND1 HD1 +BOND ND1 CE1 CD2 NE2 CE1 NE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO H N +DONO HD1 ND1 +ACCE NE2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 + +RESI ILE 0.00 ! Isoleucine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH1E 0.00 +ATOM CG2 CH3E 0.00 +GROU +ATOM CG1 CH2E 0.00 +ATOM CD1 CH3E 0.00 !DB changed to CD1 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG1 CB CG2 CG1 CD1 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CB CG1 CG2 CA +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG1 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG1 CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CG1 CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 + +RESI LEU 0.00 ! Leucine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH1E 0.00 +ATOM CD1 CH3E 0.00 +ATOM CD2 CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD2 CD1 CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CB *CG CD2 0.0000 0.00 120.00 0.00 0.0000 + +RESI LYS 1.00 ! Lysine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +ATOM CD CH2E 0.00 +GROU +ATOM CE CH2E 0.25 +ATOM NZ NT -0.30 +ATOM HZ1 HC 0.35 +ATOM HZ2 HC 0.35 +ATOM HZ3 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD CE CE NZ +BOND NZ HZ1 NZ HZ2 NZ HZ3 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HZ1 NZ +DONO HZ2 NZ +DONO HZ3 NZ +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 +IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 + +RESI LYSN 0.00 ! Neutral Lysine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +ATOM CD CH2E 0.00 +GROU +ATOM CE CH2E 0.00 +ATOM NZ NT -0.30 +ATOM HZ1 H 0.15 +ATOM HZ2 H 0.15 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD CE CE NZ +BOND NZ HZ1 NZ HZ2 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HZ1 NZ +DONO HZ2 NZ +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 + +RESI MET 0.00 ! Methionine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.06 +ATOM SD SE -0.12 +ATOM CE CH3E 0.06 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG SD SD CE +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG SD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG SD CE 0.0000 0.00 180.00 0.00 0.0000 + +RESI PHE 0.00 ! Phenylalanine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C6R 0.00 +ATOM CD1 C6RE 0.00 +ATOM CD2 C6RE 0.00 +GROU +ATOM CE1 C6RE 0.00 +ATOM CE2 C6RE 0.00 +ATOM CZ C6RE 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 CD1 CE1 +BOND CD2 CE2 CE1 CZ CE2 CZ +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD1 CE1 CZ CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 +IMPH CZ CE2 CD2 CG CE2 CD2 CG CD1 CD2 CG CD1 CE1 +IMPH CG CD1 CD2 CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 +IC CA CB CG CD1 0.0000 0.00 90.00 0.00 0.0000 +IC CD1 CB *CG CD2 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CG CD1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.00 0.0000 + +RESI PRO 0.00 ! Proline +GROU +ATOM N NX -0.25 +ATOM CD CH2E 0.10 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N CD +BOND CA CB CB CG CG CD +IMPH N -C CA CD C CA +N O CA N C CB +ACCE O C +IC -C CA *N CD 0.0000 0.00 180.00 108.00 0.0000 +IC -C N CA C 0.0000 0.00 -75.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 +IC CA CB CG CD 0.0000 0.00 0.00 108.00 0.0000 !DB fix +PATC FIRS PROP + +RESI SER 0.00 ! Serine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.25 +ATOM OG OT -0.65 +ATOM HG HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB OG OG HG +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HG OG +ACCE OG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB OG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB OG HG 0.0000 0.00 180.00 0.00 0.0000 + + +RESI SEP -2.00 ! Phosphoserine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM OG OS -0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +GROU +ATOM P PO4 1.10 +ATOM O1P OC -0.90 +ATOM O2P OC -0.90 +ATOM O3P OC -0.90 +BOND N CA CA C C +N C O N H +BOND CA CB CB OG OG P +BOND P O1P P O2P P O3P +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE OG +ACCE O C +ACCE O1P O2P +ACCE O3P +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB OG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB OG P 0.0000 0.00 180.00 0.00 0.0000 +IC CB OG P O1P 0.0000 0.00 0.0 0.00 0.0000 +IC CB OG P O2P 0.0000 0.00 0.0 0.00 0.0000 +IC CB OG P O3P 0.0000 0.00 0.0 0.00 0.0000 + +RESI THR 0.00 ! Threonine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH1E 0.25 +ATOM OG1 OT -0.65 +ATOM HG1 HO 0.40 +GROU +ATOM CG2 CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB OG1 CB CG2 OG1 HG1 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CB OG1 CG2 CA +DONO H N +DONO HG1 OG1 +ACCE OG1 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB OG1 0.0000 0.00 180.00 0.00 0.0000 +IC OG1 CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 +IC CA CB OG1 HG1 0.0000 0.00 180.00 0.00 0.0000 + +RESI TRP 0.00 ! Tryptophan +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG C5R -0.03 +ATOM CD2 CR56 0.10 +ATOM CE2 CR56 -0.04 +ATOM CE3 C6RE -0.03 +GROU +ATOM CD1 C5RE 0.06 +ATOM NE1 N5R -0.36 +ATOM HE1 H 0.30 +GROU +ATOM CZ2 C6RE 0.00 +ATOM CZ3 C6RE 0.00 +ATOM CH2 C6RE 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 CD1 NE1 +BOND CD2 CE2 NE1 HE1 NE1 CE2 CD2 CE3 CE2 CZ2 +BOND CE3 CZ3 CZ2 CH2 CZ3 CH2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD1 CD2 CB NE1 CD1 CE2 HE1 CD2 CE2 CZ2 CH2 +IMPH CE2 CZ2 CH2 CZ3 CZ2 CH2 CZ3 CE3 CH2 CZ3 CE3 CD2 +IMPH CZ3 CE3 CD2 CE2 CE3 CD2 CE2 CZ2 CG CD1 NE1 CE2 +IMPH CD1 NE1 CE2 CD2 NE1 CE2 CD2 CG CE2 CD2 CG CD1 +IMPH CD2 CG CD1 NE1 CD2 CG CE3 CE2 CE2 NE1 CZ2 CD2 +DONO H N +DONO HE1 NE1 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CG CD1 NE1 0.0000 0.00 0.00 0.00 0.0000 +IC CE2 CD1 *NE1 HE1 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CG *CD2 CE3 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CD2 CE3 CZ3 0.0000 0.00 0.00 0.00 0.0000 +IC CE3 CD2 CE2 CZ2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CE2 CZ2 CH2 0.0000 0.00 0.00 0.00 0.0000 + +RESI TYR 0.00 ! Tyrosine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C6R 0.00 +GROU +ATOM CD1 C6RE 0.00 +ATOM CE1 C6RE 0.00 +GROU +ATOM CD2 C6RE 0.00 +ATOM CE2 C6RE 0.00 +GROU +ATOM CZ C6R 0.25 +ATOM OH OT -0.65 +ATOM HH HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 CD1 CE1 +BOND CD2 CE2 CE1 CZ CE2 CZ CZ OH OH HH +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD1 CD2 CB CZ CE1 CE2 OH CG CD1 CE1 CZ +IMPH CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 CZ CE2 CD2 CG +IMPH CE2 CD2 CG CD1 CD2 CG CD1 CE1 +DONO H N +DONO HH OH +ACCE OH +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 +IC CA CB CG CD1 0.0000 0.00 90.00 0.00 0.0000 +IC CD1 CB *CG CD2 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG CD1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.00 0.0000 +IC CE2 CE1 *CZ OH 0.0000 0.00 180.00 0.00 0.0000 +IC CE1 CZ OH HH 0.0000 0.00 180.00 0.00 0.0000 + +RESI VAL 0.00 ! Valine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH1E 0.00 +ATOM CG1 CH3E 0.00 +ATOM CG2 CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG1 CB CG2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CB CG2 CG1 CA +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG1 0.0000 0.00 180.00 0.00 0.0000 +IC CG1 CA *CB CG2 0.0000 0.00 120.00 0.00 0.0000 + +RESI HSC 1.00 ! Protonated HIS +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.10 +ATOM CG C5R 0.15 +ATOM CD2 C5RE 0.20 +GROU +ATOM ND1 N5R -0.30 +ATOM HD1 H 0.35 +GROU +ATOM CE1 C5RE 0.45 +GROU +ATOM NE2 N5R -0.30 +ATOM HE2 H 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG ND1 CG CD2 ND1 HD1 +BOND ND1 CE1 CD2 NE2 CE1 NE2 NE2 HE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 NE2 CD2 CE1 HE2 +DONO H N +DONO HD1 ND1 +DONO HE2 NE2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI HSD 0.00 ! Histidine isomer ( proton at ne2 ) +GROUP +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM CE1 C5RE 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM HE2 H 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG ND1 CG CD2 ND1 CE1 +BOND CD2 NE2 CE1 NE2 NE2 HE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG ND1 CD2 CB NE2 CE1 CD2 HE2 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO H N +DONO HE2 NE2 +ACCE ND1 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI ACE 0.00 +GROUP +ATOM C C 0.55 +ATOM O O -0.55 +ATOM CH3 CH3E 0.00 +BOND CH3 C C O C +N +IMPH C CH3 +N O +IC CH3 C +N +CA 0.00 0.00 180.00 0.00 0.00 +IC CH3 +N *C O 0.00 0.00 180.00 0.00 0.00 +PATCH FIRST NONE + +RESI PCA 0.00 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CD C 0.55 +ATOM OE O -0.55 +GROU +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N CD +BOND CA CB CB CG CG CD +BOND N H CD OE +IMPH N -C CA CD C CA +N O CA N C CB +IMPH CD N CG OE +ACCE O C +ACCE OE CD +IC -C CA *N CD 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 -75.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 +IC CA CB CG CD 0.0000 0.00 0.00 108.00 0.0000 +IC CA CD *N H 0.0000 0.00 180.00 0.00 0.0000 +IC N CG *CD OE 0.0000 0.00 180.00 0.00 0.0000 +PATC FIRS NONE LAST NONE + +RESI HYL 1.00 ! Hydroxylysine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH1E 0.25 +ATOM OD2 OT -.65 +ATOM HD2 HO 0.40 +GROU +ATOM CE CH2E 0.25 +ATOM NZ NT -0.30 +ATOM HZ1 HC 0.35 +ATOM HZ2 HC 0.35 +ATOM HZ3 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD CE CE NZ +BOND NZ HZ1 NZ HZ2 NZ HZ3 CD OD2 OD2 HD2 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HZ1 NZ +DONO HZ2 NZ +DONO HZ3 NZ +DONO HD2 OD2 +ACCE OD2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 +IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 +IC CE CG *CD OD2 0.0000 0.00 240.00 0.00 0.0000 +IC CG CD OD2 HD2 0.0000 0.00 180.00 0.00 0.0000 + +RESI HYP 0.00 ! Hydroxyproline +GROU +ATOM N NX -0.25 +ATOM CD1 CH2E 0.10 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH1E 0.25 +ATOM OD2 OT -.65 +ATOM HD21 HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N CD1 +BOND CA CB CB CG CG CD1 CG OD2 OD2 HD21 +IMPH N -C CA CD1 C CA +N O CA N C CB +IMPH CG CB CD1 OD2 +ACCE O C +ACCE OD2 +IC -C CA *N CD1 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 -60.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC C N *CA CB 0.0000 0.00 -120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 +IC CB CG OD2 HD21 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CB *CG OD2 0.0000 0.00 240.00 0.00 0.0000 +PATC FIRS HPRP + +RESI HSE 0.00 ! Homoserine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.25 +ATOM OD OT -0.65 +ATOM HD HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD OD HD +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HD OD +ACCE OD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG OD HD 0.0000 0.00 180.00 0.00 0.0000 + +RESI ORN 1.00 ! Ornithine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH2E 0.25 +ATOM NE NT -0.30 +ATOM HE1 HC 0.35 +ATOM HE2 HC 0.35 +ATOM HE3 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD NE +BOND NE HE1 NE HE2 NE HE3 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HE1 NE +DONO HE2 NE +DONO HE3 NE +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD NE HE1 0.0000 0.00 180.00 0.00 0.0000 +IC HE1 CD *NE HE2 0.0000 0.00 120.00 0.00 0.0000 +IC HE2 CD *NE HE3 0.0000 0.00 120.00 0.00 0.0000 + +RESI PEN 0.00 ! Penicillamine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CT 0.19 +ATOM CG1 CH3E 0.0 +ATOM CG2 CH3E 0.0 +ATOM SG SH1E -0.19 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB SG CB CG1 CB CG2 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB SG 0.0000 0.00 180.00 0.00 0.0000 +IC SG CA *CB CG1 0.0000 0.00 120.00 0.00 0.0000 +IC SG CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 + +RESI ALB 0.00 ! Beta alanine or 3-amino propionic acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E 0.10 +ATOM CB CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CB C C +N C O N H +BOND CA CB +IMPH N -C CA H C CB +N O +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA CB 0.0000 0.00 180.00 0.00 0.0000 +IC N CA CB C 0.0000 0.00 180.00 0.00 0.0000 +IC +N CB *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB C +N 0.0000 0.00 180.00 0.00 0.0000 +IC CB C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +PATCH FIRS GLYP + +RESI ABU 0.00 ! Gamma amino butyric acid or 4-amino butyric acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E 0.10 +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CG C C +N C O N H +BOND CA CB CB CG +IMPH N -C CA H C CG +N O +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA CB 0.0000 0.00 180.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG C 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CG *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CG C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +PATC FIRS GLYP + +! +! Water models +! + +RESI ST2 .000 ! NOW INCLUDES THE LONE PAIRS GIVING 5 ATOMS FOR ST2 +GROUP +ATOM OX2 OH2 .00 +ATOM HX1 H .24 +ATOM HX2 H .24 +ATOM LX1 LP -.24 +ATOM LX2 LP -.24 +BOND OX2 HX1 OX2 HX2 +BOND OX2 LX1 OX2 LX2 +! NOTE: NO DONORS OR ACCEPTORS FOR ST2 +PATC FIRS NONE LAST NONE + +RESI TIP3 .000 ! TIPS3P WATER MODEL +GROUP +ATOM OH2 OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND OH2 H1 OH2 H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE +ANGL H1 OH2 H2 +!ACCE OH2 +PATC FIRS NONE LAST NONE + +RESI OH2 .000 ! WATER +GROUP +ATOM OH2 OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND OH2 H1 OH2 H2 +ACCE OH2 +PATC FIRS NONE LAST NONE + +RESI HOH 0.0000 ! TIPS3P WATER MODEL FOR PDB CRYSTAL WATERS +GROUP +ATOM O OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND O H1 O H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE +ANGL H1 O H2 +!ACCE O +PATC FIRS NONE LAST NONE + +RESI WAT 0.0000 ! TIPS3P WATER MODEL FOR PDB CRYSTAL WATERS +GROUP +ATOM O OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND O H1 O H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE +ANGL H1 O H2 +!ACCE O +PATC FIRS NONE LAST NONE + +! The following patches generate NH3+ and COO- on the N and C terminal ends + +PRES NTER 0.95 +! This patch is used to provide a charged NH3+ group for the N-terminal +! This patch will NOT work with a GLY or PRO as the first residue (use +! GLYP or PROP, respectively) +! This patch will NOT work dehydro amino acids as the first residue +! (use NTRU) +GROU +ATOM N NT -0.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELE ATOM H +ATOM CA CH1E 0.20 +BOND HT1 N HT2 N HT3 N +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT1 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N HT3 0.0000 0.00 240.00 0.00 0.0000 + +PRES NTRA 0.95 +! This patch is used to provide a charged NH3+ group for the N-terminal +! with angle definitions. +! This patch will NOT work with a GLY or PRO as the first residue (use +! GLYP or PROP, respectively) +! This patch will NOT work dehydro amino acids as the first residue +! (use NTRU) +GROU +ATOM N NT -0.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELE ATOM H +ATOM CA CH1E 0.20 +BOND HT1 N HT2 N HT3 N +ANGLE HT1 N CA HT2 N CA HT3 N CA +ANGLE HT1 N HT2 HT2 N HT3 HT3 N HT1 +DIHE HT1 N CA C HT1 N CA HA HT1 N CA CB +DIHE HT2 N CA C HT2 N CA HA HT2 N CA CB +DIHE HT3 N CA C HT3 N CA HA HT3 N CA CB +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT1 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N HT3 0.0000 0.00 240.00 0.00 0.0000 + +PRES GLYP 0.95 +! N-terminus for glycine +GROUP +ATOM N NT -0.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELETE ATOM H +ATOM CA CH2E 0.20 +BOND HT1 N HT2 N HT3 N +!DIHE HT1 N CA C +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 60.00 0.00 0.0000 +IC HT3 CA *N HT2 0.0000 0.00 -60.00 0.00 0.0000 + +PRES PROP 0.95 +! N-terminal patch for PRO +GROUP +ATOM N NT -0.20 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM CD CH2E 0.25 +ATOM CA CH1E 0.20 +BOND HT1 N HT2 N +!DIHE HT1 N CA C +DONO HT1 N +DONO HT2 N +IC C CA N CD 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N CD 0.0000 0.00 120.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 + +! +! C-terminal patches +! + +PRES CTER -0.85 +! This patch is used to provide a charged COO- group for the C-terminal +GROU +ATOM C C 0.14 +ATOM O OC -0.57 +ATOM OXT OC -0.57 +ATOM CA CH1E 0.15 +BOND C OXT +!DIHE N CA C OXT +IMPH C OXT O CA +ACCE O C +ACCE OXT C +IC N CA C O 0.0 0.0 180.0 0.0 0.0 +IC CA O *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CGLY -0.85 +!This patch is used to provide a charged COO- group to Gly C-terminal +GROUP +ATOM C C 0.14 +ATOM O OC -0.57 +ATOM OXT OC -0.57 +ATOM CA CH2E 0.15 +BOND C O C OXT +IMPH C OXT O CA +ACCE O C +ACCE OXT C +IC N CA C O 0.0 0.0 180.0 0.0 0.0 +IC CA O *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CTRA -0.85 +! This patch is used to provide a charged COO- group for the C-terminal +! with angle definitions +GROU +ATOM CA CH1E 0.15 +ATOM C C 0.14 +ATOM O OC -0.57 +ATOM OXT OC -0.57 +BOND C OXT +ANGLE CA C OXT OXT C O +DIHE N CA C OXT N CA C O +DIHE HA CA C OXT HA CA C O +DIHE CB CA C OXT CB CA C O +IMPH C OXT O CA +ACCE O C +ACCE OXT C +IC N CA C OXT 0.0 0.0 180.0 0.0 0.0 +IC OXT CA *C O 0.0 0.0 180.0 0.0 0.0 + +! Other patches +! + +PRES DISU 0.00 +! Patch for disulphides. Patch requires two CYS residues. +GROUP +ATOM 1CB CH2E 0.19 +ATOM 1SG ST -0.19 +GROUP +ATOM 2SG ST -0.19 +ATOM 2CB CH2E 0.19 +BOND 1SG 2SG +ANGL 1CB 1SG 2SG 1SG 2SG 2CB +DIHE 1CA 1CB 1SG 2SG +DIHE 1CB 1SG 2SG 2CB +DIHE 1SG 2SG 2CB 2CA +IC 1CA 1CB 1SG 2SG 0.0 0.0 180.0 0.0 0.0 +IC 1CB 1SG 2SG 2CB 0.0 0.0 180.0 0.0 0.0 +IC 1SG 2SG 2CB 2CA 0.0 0.0 180.0 0.0 0.0 + +PRES LTOD 0.0 +! This patch converts an L-residue to a D-residue +DELE IMPR 1CA 1N 1C 1CB +IMPR 1CA 1C 1N 1CB +DELE IC N C *CA CB +IC N C *CA CB 0.00 0.00 240.00 0.00 0.00 + +! This section is from PDBPATCHA and includes PATCH residues +! for the C and N terminal ends of polypeptide chains. +! +! N-terminal patches other than the default NH3+ patch +! + +PRES NH2 -0.05 ! Deprotonated N-terminal (NH2) +DELETE ATOM HT3 +ATOM HT1 H .15 +ATOM HT2 H .15 +ATOM N NT -.35 +ATOM CA CH1E .00 ! change atom type for CA for GLY + +PRES DEAM 0.0000 ! Removes NH3 from N-terminus altogether +! ! Wont work in SEQ BUILDER ( bad seed) +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +DELETE ATOM N +ATOM CA CH2E .00 + +PRES DCOH 0.000 ! Removes COOH from the C-terminus +! ! Not recommended for PRO or GLY +DELETE ATOM O +DELETE ATOM OXT +DELETE ATOM C +ATOM CA CH2E 0.0 +IC -C -N CA CB 0.00 0.000 -60.0 0.00 0.00 + +PRES ACCP 0.95 ! N-terminal patch for ACC residue +GROUP +ATOM N NT -.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELETE ATOM H +ATOM CA CT 0.20 +BOND HT1 N HT2 N HT3 N +DIHE HT1 N CA C HT1 N CA CB1 +DIHE HT2 N CA C HT2 N CA CB1 +DIHE HT3 N CA C HT3 N CA CB1 +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 +IC HT3 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 + +PRES HPRP 1.00 +! N-terminal patch for HYP +GROUP +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM N NT -0.20 +ATOM CD1 CH2E 0.25 +ATOM CA CH1E 0.25 +BOND HT1 N HT2 N +!DIHE HT1 N CA C +DONO HT1 N +DONO HT2 N +IC C CA N CD1 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N CD1 0.0000 0.00 120.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 + +PRES NTRU 0.95 +! This patch is used to provide a charged NH3+ group for the N-terminal for +! dehydro amino acids +GROU + ATOM N NT -0.30 + ATOM HT1 HC 0.35 ! Check charges + ATOM HT2 HC 0.35 + ATOM HT3 HC 0.35 + DELETE ATOM HN + ATOM CA CUA1 0.20 +BOND HT1 N HT2 N HT3 N +THET HT1 N HT2 HT2 N HT3 HT2 N CA +THET HT1 N HT3 HT1 N CA HT3 N CA +DIHE HT1 N CA C HT1 N CA CB +DIHE HT2 N CA C HT2 N CA CB +DIHE HT3 N CA C HT3 N CA CB +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 +IC HT3 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 + +PRES NTME 0.35 +! N-methyl amino terminal group +ATOM CNT CH3E 0.35 +DELETE ATOM HT3 +DELETE IC HT1 CA *N HT3 +BOND N CNT +ANGL CA N CNT HT1 N CNT HT2 N CNT +DIHE CNT N CA C CNT N CA CB +IC HT1 CA *N CNT 0.0000 0.00 240.0 0.00 0.0000 + +PRES NDME .70 +! N,N-dimethyl terminal group +ATOM CNT1 CH3E 0.35 +ATOM CNT2 CH3E 0.35 +DELETE ATOM HT2 +DELETE ATOM HT3 +DELETE IC HT1 CA *N HT2 +DELETE IC HT1 CA *N HT3 +BOND N CNT1 N CNT2 +ANGL CA N CNT1 CA N CNT2 HT1 N CNT1 HT1 N CNT2 CNT1 N CNT2 +DIHE CNT1 N CA C +DIHE CNT2 N CA C +DIHE CNT1 N CA CB +DIHE CNT2 N CA CB +IC CNT1 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 +IC CNT2 CA *N CNT1 0.0000 0.00 120.00 0.00 0.0000 + +PRES N3ME 1.05 +! N,N,N-trimethyl terminal group +ATOM CNT1 CH3E 0.35 +ATOM CNT2 CH3E 0.35 +ATOM CNT3 CH3E 0.35 +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +BOND N CNT1 N CNT2 N CNT3 +ANGL CA N CNT1 CA N CNT2 CNT3 N CNT1 CNT3 N CNT2 CNT1 N CNT2 +ANGL CA N CNT3 +DIHE CNT1 N CA C +DIHE CNT1 N CA CB +DIHE CNT2 N CA C +DIHE CNT2 N CA CB +DIHE CNT3 N CA C +DIHE CNT3 N CA CB +IC C CA N CNT1 0.0000 0.00 180.00 0.00 0.0000 +IC CNT1 CA *N CNT2 0.0000 0.00 120.00 0.00 0.0000 +IC CNT1 CA *N CNT3 0.0000 0.00 240.00 0.00 0.0000 + +PRES NFA 0.00 +! This patch replaces the N-terminal with a fatty acid amide +! C13H27 +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CT2 CH2E 0.00 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +GROUP +ATOM CT3 CH2E 0.00 +ATOM CT4 CH2E 0.00 +ATOM CT5 CH2E 0.00 +ATOM CT6 CH2E 0.00 +ATOM CT7 CH2E 0.00 +ATOM CT8 CH2E 0.00 +ATOM CT9 CH2E 0.00 +ATOM CT10 CH2E 0.00 +ATOM CT11 CH2E 0.00 +ATOM CT12 CH2E 0.00 +ATOM CT13 CH2E 0.00 +ATOM CT14 CH3E 0.00 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND CT2 CNT CNT N CNT ONT N H +BOND CT2 CT3 CT3 CT4 CT4 CT5 CT5 CT6 CT6 CT7 +BOND CT7 CT8 CT8 CT9 CT9 CT10 CT10 CT11 CT11 CT12 +BOND CT12 CT13 CT13 CT14 +ANGL CA N H CA N CNT H N CNT CT3 CT4 CT5 +ANGL CT4 CT5 CT6 CT5 CT6 CT7 CT6 CT7 CT8 +ANGL CT7 CT8 CT9 CT8 CT9 CT10 CT10 CT11 CT12 CT12 CT13 CT14 +DIHE CT2 CNT N CA +DIHE ONT CNT N CA +DIHE CT2 CNT N H +DIHE ONT CNT N H +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE ONT N CA C +DIHE ONT N CA CB +DIHE N CNT CT2 CT3 CNT CT2 CT3 CT4 CT2 CT3 CT4 CT5 +DIHE CT3 CT4 CT5 CT6 CT4 CT5 CT6 CT7 CT5 CT6 CT7 CT8 +DIHE CT6 CT7 CT8 CT9 CT7 CT8 CT9 CT10 +DIHE CT8 CT9 CT10 CT11 CT9 CT10 CT11 CT12 CT10 CT11 CT12 CT13 +DIHE CT11 CT12 CT13 CT14 +IMPH CNT CT2 N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT CT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT CT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CT3 CT4 CT5 0.0000 0.00 180.00 0.00 0.0000 +IC CT3 CT4 CT5 CT6 0.0000 0.00 180.00 0.00 0.0000 +IC CT4 CT5 CT6 CT7 0.0000 0.00 180.00 0.00 0.0000 +IC CT5 CT6 CT7 CT8 0.0000 0.00 180.00 0.00 0.0000 +IC CT6 CT7 CT8 CT9 0.0000 0.00 180.00 0.00 0.0000 +IC CT7 CT8 CT9 CT10 0.0000 0.00 180.00 0.00 0.0000 +IC CT8 CT9 CT10 CT11 0.0000 0.00 180.00 0.00 0.0000 +IC CT9 CT10 CT11 CT12 0.0000 0.00 180.00 0.00 0.0000 +IC CT10 CT11 CT12 CT13 0.0000 0.00 180.00 0.00 0.0000 +IC CT11 CT12 CT13 CT14 0.0000 0.00 180.00 0.00 0.0000 + +PRES NFAG -0.05 +! This patch replaces the N-terminal with a fatty acid amide +! C13H27 +! This patch is specific for glycine at N terminus ( otherwise use NFA) +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CT2 CH2E -0.05 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E .10 +GROUP +ATOM CT3 CH2E 0.00 +ATOM CT4 CH2E 0.00 +ATOM CT5 CH2E 0.00 +ATOM CT6 CH2E 0.00 +ATOM CT7 CH2E 0.00 +ATOM CT8 CH2E 0.00 +ATOM CT9 CH2E 0.00 +ATOM CT10 CH2E 0.00 +ATOM CT11 CH2E 0.00 +ATOM CT12 CH2E 0.00 +ATOM CT13 CH2E 0.00 +ATOM CT14 CH3E 0.00 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND CT2 CNT CNT N CNT ONT N H +BOND CT2 CT3 CT3 CT4 CT4 CT5 CT5 CT6 CT6 CT7 +BOND CT7 CT8 CT8 CT9 CT9 CT10 CT10 CT11 CT11 CT12 +BOND CT12 CT13 CT13 CT14 +ANGL CA N H CA N CNT H N CNT CNT CT2 CT3 CT3 CT4 CT5 + +ANGL CT4 CT5 CT6 CT5 CT6 CT7 CT6 CT7 CT8 +ANGL CT7 CT8 CT9 CT8 CT9 CT10 CT10 CT11 CT12 CT12 CT13 CT14 +DIHE CT2 CNT N CA +DIHE ONT CNT N CA +DIHE CT2 CNT N H +DIHE ONT CNT N H +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE ONT N CA C +DIHE ONT N CA CB +DIHE N CNT CT2 CT3 CNT CT2 CT3 CT4 CT2 CT3 CT4 CT5 +DIHE CT3 CT4 CT5 CT6 CT4 CT5 CT6 CT7 CT5 CT6 CT7 CT8 +DIHE CT6 CT7 CT8 CT9 CT7 CT8 CT9 CT10 +DIHE CT8 CT9 CT10 CT11 CT9 CT10 CT11 CT12 CT10 CT11 CT12 CT13 +DIHE CT11 CT12 CT13 CT14 +IMPH CNT CT2 N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT CT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT CT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CT3 CT4 CT5 0.0000 0.00 180.00 0.00 0.0000 +IC CT3 CT4 CT5 CT6 0.0000 0.00 180.00 0.00 0.0000 +IC CT4 CT5 CT6 CT7 0.0000 0.00 180.00 0.00 0.0000 +IC CT5 CT6 CT7 CT8 0.0000 0.00 180.00 0.00 0.0000 +IC CT6 CT7 CT8 CT9 0.0000 0.00 180.00 0.00 0.0000 +IC CT7 CT8 CT9 CT10 0.0000 0.00 180.00 0.00 0.0000 +IC CT8 CT9 CT10 CT11 0.0000 0.00 180.00 0.00 0.0000 +IC CT9 CT10 CT11 CT12 0.0000 0.00 180.00 0.00 0.0000 +IC CT10 CT11 CT12 CT13 0.0000 0.00 180.00 0.00 0.0000 +IC CT11 CT12 CT13 CT14 0.0000 0.00 180.00 0.00 0.0000 + +PRES NGUA 0.95 +! N terminal guanidino group +! Not to be used for proline +! change atom type for CA for GLY and edit dihedrals +ATOM CA CH1E .10 +ATOM CNT C .50 +ATOM NT2 NC -.45 +ATOM NT3 NC -.45 +ATOM HT2A HC .35 +ATOM HT2B HC .35 +ATOM HT3A HC .35 +ATOM HT3B HC .35 +ATOM N NP -.40 +ATOM H H .25 +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +BOND N H N CNT +BOND CNT NT2 CNT NT3 NT2 HT2A NT2 HT2B +BOND NT3 HT3A NT3 HT3B +ANGL CA N H CA N CNT H N CNT +ANGL N CNT NT3 N CNT NT2 NT2 CNT NT3 +ANGL HT2A NT2 HT2B HT2A NT2 CNT HT2B NT2 CNT +ANGL HT3A NT3 HT3B HT3A NT3 CNT HT3B NT3 CNT +DIHE C CA N CNT CB CA N CNT +DIHE C CA N H CB CA N H +DIHE CA N CNT NT2 H N CNT NT2 +DIHE CA N CNT NT3 H N CNT NT3 +DIHE N CNT NT2 HT2A N CNT NT2 HT2B +DIHE NT3 CNT NT2 HT2A NT3 CNT NT2 HT2B +DIHE N CNT NT3 HT3A N CNT NT3 HT3B +DIHE NT2 CNT NT3 HT3A NT2 CNT NT3 HT3B +IMPH N CNT CA H CNT NT2 NT3 N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT NT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT NT2 HT2A 0.0000 0.00 180.00 0.00 0.0000 +IC HT2A CNT *NT2 HT2B 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT NT3 HT3A 0.0000 0.00 180.00 0.00 0.0000 +IC HT3A CNT *NT3 HT3B 0.0000 0.00 180.00 0.00 0.0000 +IC NT3 NT2 *CNT N 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 +DONO H N +DONO HT2A NT2 +DONO HT2B NT2 +DONO HT3A NT3 +DONO HT3B NT3 + +PRES NFRM 0.00 +! This patch replaces the N-terminal with a formamide group +! This patch will not work with PRO, HPRO, or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM HNT HA -0.00 +! change atom type for CA for GLY +ATOM CA CH1E .10 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND HNT CNT CNT N CNT ONT N H +ANGL CA N H CA N CNT H N CNT N CNT ONT N CNT HNT +ANGL ONT CNT HNT +DIHE HNT CNT N CA +DIHE ONT CNT N CA +DIHE HNT CNT N H +DIHE ONT CNT N H +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE H N CA C +DIHE H N CA CB +! This may need to be inverted for new IMPH rules +IMPH CNT HNT N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N HNT *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC HNT CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NACT 0.00 +! This patch replaces the N-terminal with an acetamide group +! This patch will not work with PRO as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CT2 CH3E 0.00 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND CT2 CNT CNT N CNT ONT N H +ANGL CA N H CA N CNT H N CNT N CNT ONT N CNT CT2 +ANGL ONT CNT CT2 +DIHE CT2 CNT N H +DIHE CT2 CNT N CA +DIHE ONT CNT N H +DIHE ONT CNT N CA +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE H N CA C +DIHE H N CA CB +! This may need to be inverted for new IMPH rules +IMPH CNT CT2 N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NACP -0.00 +! This patch replaces the N-terminal with an acetamide group +! Only for PROLINE as first residue +! Apply this patch ONLY after the Nter Patch PROP has been applied +GROU + ATOM CT2 CH3E 0.00 + ATOM CNT C 0.60 + ATOM ONT O -0.55 + ATOM N NX -0.25 + ATOM CA CH1E 0.10 + ATOM CG CH2E 0.10 + ATOM CD CH2E 0.00 + DELE ATOM HT1 + DELE ATOM HT2 +BOND N CNT CNT ONT CNT CT2 +ANGL CA N CNT N CNT ONT N CNT CT2 ONT CNT CT2 +ANGL CD N CNT +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT ONT +DIHE CA N CNT CT2 +DIHE CD N CNT ONT +DIHE CD N CNT CT2 +IMPH CNT CT2 N ONT +ACCE ONT CNT +IC C CA N CNT 0.00 0.00 240.00 0.00 0.00 +IC CA N CNT CT2 0.00 0.00 170.00 0.00 0.00 +IC CT2 N *CNT ONT 0.00 0.00 180.00 0.00 0.00 + +PRES NPYG 0.00 ! Converts N-terminal glutamic acid to pyroglutamic acid +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM OE O -0.55 +ATOM CD C 0.60 +ATOM CG CH2E 0.00 +ATOM CA CH1E 0.10 +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +DELETE ATOM OE1 +DELETE ATOM OE2 +BOND N H +BOND N CD +BOND CD OE +ANGLE H N CA +ANGLE H N CD +ANGLE CA N CD +ANGLE OE CD N +ANGLE OE CD CG +ANGLE CG CD N +DIHe H N CA C +DIHe H N CA CB +DIHe CD N CA C +DIHe CD N CA CB +DIHe CG CD N CA +DIHe CG CD N H +DIHe CB CG CD N +IMPH N CA CD H +!IMPH CD OE N CG +! inverted for new IMPH rules +IMPH CD N CG OE +IC CD CA *N H 0.0 0.0000 180.0 0.0000 0.0 +IC OE CG *CD N 0.0 0.0000 180.0 0.0000 0.0 +IC CD N CA C 0.0 0.0000 -60.0 0.0000 0.0 +IC N CA CB CG 0.0 105.0000 0.0 0.0000 0.0 +IC CA CB CG CD 0.0 105.0000 0.0 105.0000 0.0 +IC CB CG CD N 0.0 105.0000 0.0 0.0000 0.0 +IC CG CD N CA 0.0 0.0000 0.0 0.0000 0.0 +DONO H N +ACCE OE + +PRES NMEC -0.05 +! This patch replaces the N-terminal with a methylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +! change atom type for CA for GLY +ATOM CA CH1E .10 +ATOM CNT C 0.70 +ATOM ONT O -.55 +ATOM OT2 OS -.40 +ATOM CT3 CH3E 0.25 +ATOM N NP -.40 +ATOM H H 0.25 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE CA N CNT ONT +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +IMPH CNT N OT2 ONT N CA CNT H +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NETC -0.05 +! This patch replaces the N-terminal with an ethylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 CH2E 0.25 +ATOM CT4 CH3E 0.00 +ATOM N NP -.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4 +IMPH CNT N OT2 ONT N CA CNT H +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NBOC -0.05 +! This patch replaces the N-terminal with a tert-butylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 CT 0.25 +ATOM CT4A CH3E 0.00 +ATOM CT4B CH3E 0.00 +ATOM CT4C CH3E 0.00 +ATOM N NP -.40 +ATOM H H .25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 +BOND CT3 CT4A CT3 CT4B CT3 CT4C +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4A +ANGL OT2 CT3 CT4B OT2 CT3 CT4C CT4A CT3 CT4B CT4B CT3 CT4C +ANGL CT4A CT3 CT4C +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4A +DIHE CNT OT2 CT3 CT4B +DIHE CNT OT2 CT3 CT4C +IMPH CNT N OT2 ONT N CA CNT H +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4A 0.0000 0.00 180.00 0.00 0.0000 +IC CT4A OT2 *CT3 CT4B 0.0000 0.00 120.00 0.00 0.0000 +IC CT4A OT2 *CT3 CT4C 0.0000 0.00 240.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NPHC -0.05 +! This patch replaces the N-terminal with a phenylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 C6R .25 +ATOM CT4A C6RE 0.00 +ATOM CT4B C6RE 0.00 +ATOM CT5A C6RE 0.00 +ATOM CT5B C6RE 0.00 +ATOM CT6 C6RE 0.00 +ATOM N NP -.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4A +BOND CT4A CT5A CT5A CT6 CT6 CT5B CT5B CT4B CT4B CT3 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4A +ANGL OT2 CT3 CT4B CT4A CT3 CT4B CT3 CT4A CT5A CT4A CT5A CT6 +ANGL CT5A CT6 CT5B CT6 CT5B CT4B CT5B CT4B CT3 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4A +DIHE CNT OT2 CT3 CT4B +IMPH CNT N OT2 ONT N CA CNT H CT3 CT4A CT4B OT2 +IMPH CT3 CT4A CT5A CT6 CT4A CT5A CT6 CT5B CT5A CT6 CT5B CT4B +IMPH CT6 CT5B CT4B CT3 CT5B CT4B CT3 CT4A CT4B CT3 CT4A CT5A +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4A 0.0000 0.00 90.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT4B CT4A *CT3 OT2 0.0000 0.00 180.00 0.00 0.0000 +IC CT4B CT3 CT4A CT5A 0.0000 0.00 0.00 0.00 0.0000 +IC CT5B CT4B CT3 CT4A 0.0000 0.00 0.00 0.00 0.0000 +IC CT6 CT5B CT4B CT3 0.0000 0.00 0.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NCBZ -0.05 +! This patch replaces the N-terminal with a carbobenzoxly group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 CH2E .25 +ATOM CT4 C6R 0.0 +ATOM CT5A C6RE 0.0 +ATOM CT6A C6RE 0.0 +ATOM CT7 C6RE 0.0 +ATOM CT6B C6RE 0.0 +ATOM CT5B C6RE 0.0 +ATOM N NP -0.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4 +BOND CT4 CT5A CT5A CT6A CT6A CT7 CT7 CT6B CT6B CT5B CT5B CT4 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4 +ANGL CT3 CT4 CT5B CT3 CT4 CT5A CT5B CT4 CT5A CT4 CT5A CT6A +ANGL CT5A CT6A CT7 CT6A CT7 CT6B CT7 CT6B CT5B CT6B CT5B CT4 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4 +DIHE OT2 CT3 CT4 CT5A +DIHE OT2 CT3 CT4 CT5B +IMPH CNT N OT2 ONT N CA CNT H +IMPH CT4 CT5A CT5B CT3 CT5A CT6A CT7 CT6B CT6A CT7 CT6B CT5B +IMPH CT7 CT6B CT5B CT4 CT6B CT5B CT4 CT5A CT5B CT4 CT5A CT6A +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC OT2 CT3 CT4 CT5A 0.0000 0.00 90.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT5B CT5A *CT4 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CT5B CT4 CT5A CT6A 0.0000 0.00 0.00 0.00 0.0000 +IC CT6B CT5B CT4 CT5A 0.0000 0.00 0.00 0.00 0.0000 +IC CT7 CT6B CT5B CT4 0.0000 0.00 0.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +! +! C-terminal patches other than COO- +! + +PRES COOH 0.150 ! Protonated Carboxyl (COOH) C-terminus +ATOM OXT OAC -.61 +ATOM C C .78 +ATOM O OT -.67 +ATOM HCT H .46 +ATOM CA CH1E .19 +BOND O HCT +THETA C O HCT +DIHE CA C O HCT +IC CA C O HCT 0.0000 0.00 180.0 0.00 0.0000 +DONO HCT O + +PRES CALD 0.00 +! This patch replaces the C-terminal with an aldehyde group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.23 +ATOM O OA -0.43 +ATOM HCT HA 0.20 +DELE ATOM OXT +BOND C O C HCT +ANGL CA C O CA C HCT O C HCT +DIHE N CA C O +DIHE CB CA C O +!IMPH C CA O HCT +! inverted for new IMPH rules +IMPH C CA HCT O +ACCE O C +IC N CA C HCT 0.0 0.0 0.0 0.0 0.0 +IC CA HCT *C O 0.0 0.0 180.0 0.0 0.0 + +PRES CALC 0.00 +! This patch reduces the C terminal carboxyl to an alcohol +GROU +ATOM C CH2E .25 +ATOM OCT OT -.65 +ATOM HOT HO .40 +DELETE ATOM O +DELETE ATOM OXT +BOND C OCT OCT HOT +ANGL CA C OCT C OCT HOT +DIHE N CA C OCT CA C OCT HOT +DIHE CB CA C OCT +ACCE OCT +IC N CA C OCT 0.0000 0.00 180.00 0.00 0.0000 +IC CA C OCT HOT 0.0000 0.00 180.00 0.00 0.0000 + +PRES CAMD 0.000 +! Converts the C-terminus to an amide +GROU +ATOM C C 0.55 +ATOM O O -.55 +ATOM NCT NP -.60 +ATOM HCT1 H .30 +ATOM HCT2 H .30 +DELETE ATOM OXT +BOND C O C NCT NCT HCT1 NCT HCT2 +ANGL CA C O CA C NCT +ANGL O C NCT C NCT HCT1 C NCT HCT2 HCT1 NCT HCT2 +DIHE N CA C NCT +DIHE CB CA C NCT +DIHE N CA C O +DIHE CB CA C O +DIHE CA C NCT HCT1 +DIHE CA C NCT HCT2 +DIHE O C NCT HCT1 +DIHE O C NCT HCT2 +IMPH NCT C HCT1 HCT2 C CA NCT O +ACCE O C +IC N CA C NCT 0.000 0.00 180.00 0.00 0.000 +IC NCT CA *C O 0.000 0.00 180.00 0.00 0.000 +IC CA C NCT HCT1 0.000 0.00 180.00 0.00 0.000 +IC HCT1 C *NCT HCT2 0.000 0.00 180.00 0.00 0.000 + +PRES CMAM 0.00 ! Converts the C-terminus to an N methyl-amide +GROU +ATOM C C .60 +ATOM OXT O -.55 +ATOM NCT NP -.40 +ATOM HCT1 H .25 +ATOM CTB CH3E .10 +DELETE ATOM O +BOND C OXT C NCT NCT HCT1 NCT CTB +ANGL CA C OXT CA C NCT C NCT CTB HCT1 NCT CTB C NCT HCT1 +DIHE N CA C NCT +DIHE CB CA C NCT +DIHE N CA C OXT +DIHE CB CA C OXT +DIHE CA C NCT CTB +DIHE OXT C NCT HCT1 +!IMPH NCT C HCT1 CTB +!inverted for new IMPH rules +IMPH NCT C CTB HCT1 +IMPH C NCT CA OXT +ACCE OXT C +IC N CA C NCT 0.0000 0.00 180.0 0.00 0.0000 +IC NCT CA *C OXT 0.0000 0.00 180.0 0.00 0.0000 +IC CA C NCT HCT1 0.0000 0.00 180.0 0.00 0.0000 +IC HCT1 C *NCT CTB 0.0000 0.00 180.0 0.00 0.0000 + +PRES CMES 0.000 +! This patch replaces the C-terminal with an methyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CH3E 0.25 +DELE ATOM O +BOND C OXT C OCT OCT CTB +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB +DIHE N CA C OXT +DIHE N CA C OXT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB +IMPH C CA OCT OXT +ACCE OXT C +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CETS 0.000 +! This patch replaces the C-terminal with an ethyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C .70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CH2E 0.25 +ATOM CTG CH3E 0.00 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB C OCT CTB CTG +IMPH C CA OCT OXT +ACCE OXT C +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG 0.0 0.0 180.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CTBS 0.000 +! This patch replaces the C-terminal with a t-butyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CT 0.25 +ATOM CTG1 CH3E 0.000 +ATOM CTG2 CH3E 0.000 +ATOM CTG3 CH3E 0.000 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG1 CTB CTG2 CTB CTG3 +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG1 OCT CTB CTG2 +ANGL OCT CTB CTG3 CTG1 CTB CTG2 CTG1 CTB CTG3 CTG2 CTB CTG3 +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB +DIHE C OCT CTB CTG1 +DIHE C OCT CTB CTG2 +DIHE C OCT CTB CTG3 +IMPH C CA OCT OXT +ACCE OXT C +ACCE OCT +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG1 0.0 0.0 180.0 0.0 0.0 +IC CTG1 OCT *CTB CTG2 0.0 0.0 120.0 0.0 0.0 +IC CTG1 OCT *CTB CTG3 0.0 0.0 240.0 0.0 0.0 + +PRES CPHS 0.00 +! This patch replaces the C-terminal with a phenyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C .70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB C6R 0.25 +ATOM CTG1 C6RE 0.00 +ATOM CTG2 C6RE 0.00 +ATOM CTD1 C6RE 0.00 +ATOM CTD2 C6RE 0.00 +ATOM CTE C6RE 0.00 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG1 CTB CTG2 CTG1 CTD1 CTG2 CTD2 +BOND CTD1 CTE CTD2 CTE +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG1 OCT CTB CTG2 +ANGL CTB CTG1 CTD1 CTG1 CTD1 CTE CTD1 CTE CTD2 CTE CTD2 CTG2 +ANGL CTD2 CTG2 CTB CTG2 CTB CTG1 +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB +DIHE C OCT CTB CTG1 +DIHE C OCT CTB CTG2 +IMPH C CA OCT OXT +IMPH CTB CTG1 CTG2 OCT +IMPH CTB CTG1 CTD1 CTE CTG1 CTD1 CTE CTD2 CTD1 CTE CTD2 CTG2 +IMPH CTE CTD2 CTG2 CTB CTD2 CTG2 CTB CTG1 CTG2 CTB CTG1 CTD1 +ACCE OXT C +ACCE OCT +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG1 0.0 0.0 90.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 +IC CTG2 CTG1 *CTB OCT 0.0 0.0 180.0 0.0 0.0 +IC CTG2 CTB CTG1 CTD1 0.0 0.0 0.0 0.0 0.0 +IC CTD2 CTG2 CTB CTG1 0.0 0.0 0.0 0.0 0.0 +IC CTE CTD2 CTG2 CTB 0.0 0.0 0.0 0.0 0.0 + +PRES CBZS 0.000 +! This patch replaces the C-terminal with a benzyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CH2E 0.25 +ATOM CTG C6R 0.00 +ATOM CTD1 C6RE 0.00 +ATOM CTD2 C6RE 0.00 +ATOM CTE1 C6RE 0.00 +ATOM CTE2 C6RE 0.00 +ATOM CTZ C6RE 0.00 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG CTG CTD1 CTG CTD2 CTD1 CTE1 +BOND CTD2 CTE2 CTE1 CTZ CTE2 CTZ +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG +ANGL CTB CTG CTD1 CTB CTG CTD2 +ANGL CTG CTD1 CTE1 CTD1 CTE1 CTZ CTE1 CTZ CTE2 CTZ CTE2 CTD2 +ANGL CTE2 CTD2 CTG CTD2 CTG CTD1 +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB C OCT CTB CTG +DIHE OCT CTB CTG CTD1 +DIHE OCT CTB CTG CTD2 +IMPH C CA OCT OXT +IMPH CTG CTD1 CTD2 CTB +IMPH CTG CTD1 CTE1 CTZ CTD1 CTE1 CTZ CTE2 CTE1 CTZ CTE2 CTD2 +IMPH CTZ CTE2 CTD2 CTG CTE2 CTD2 CTG CTD1 CTD2 CTG CTD1 CTE1 +ACCE OXT C +ACCE OCT +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG 0.0 0.0 180.0 0.0 0.0 +IC OCT CTB CTG CTD1 0.0 0.0 180.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 +IC CTD2 CTD1 *CTG CTB 0.0 0.0 180.0 0.0 0.0 +IC CTD2 CTG CTD1 CTE1 0.0 0.0 0.0 0.0 0.0 +IC CTE2 CTD2 CTG CTD1 0.0 0.0 0.0 0.0 0.0 +IC CTZ CTE2 CTD2 CTG 0.0 0.0 0.0 0.0 0.0 + +! +! Other patches +! +PRES CIS 0.00 +! converts trans peptide to cis +DELE IC -CA -C N CA +IC -CA -C N CA 0.00 0.000 0.00 0.000 0.00 + +PRES CH2 -.35 +! Replaces the Carbonyl group in the backbone by CH2 +DELETE ATOM O +ATOM C CH2E 0.000 +ATOM +N NT -.35 +DELE IMPH +N C +CA +H +DELETE IC C +CA *+N +H +IC C +CA *+N +H 0.000 0.000 120.00 0.00 0.000 +!IC C +CA *+N +H 0.000 0.000 240.00 0.00 0.000 + +PRES NPME 0.25 +! N-methyl (for peptides), not to be applied to the first residue +GROUP +ATOM CNME CH3E 0.250 +DELETE ATOM H +BOND N CNME +ANGL -C N CNME CNME N CA +DIHE -CA -C N CNME +DIHE -O -C N CNME +DIHE CNME N CA C +DIHE CNME N CA CB +IMPH N -C CA CNME +IC -C CA *N CNME 0.0000 0.00 180.00 0.00 0.0000 + +PRES CAME 0.10 +! Alpha methyl patch for all residues except glycine +GROU +ATOM CB2 CH3E 0.00 +ATOM CA CT 0.10 +BOND CA CB2 +ANGL CB2 CA CB N CA CB2 C CA CB2 +DIHE -C N CA CB2 +DIHE H N CA CB2 +DIHE CB2 CA C +N +IC N C *CA CB2 0.0000 0.00 240.0 0.00 0.0000 + + +PRES NTOO 0.20 +! This patch replaces the peptide nitrogen in a residue with an ester oxygen +! This patch will not work with a residue as the N-terminal +! This patch will not work with GLY as the ester residue +! This patch will not work in conjunction with any other patch on the +! ester residue (including CTER) +! This patch requires a sequence of three residues, where the second residue +! is the ester residue +GROU + ATOM -CA CH1E 0.20 + ATOM -C C 0.70 + ATOM -O OAC -0.55 +GROU + ATOM OP OS -0.40 + ATOM CA CH1E 0.25 + DELE ATOM N + DELE ATOM H +BOND -C OP OP CA +ANGL -CA -C OP -O -C OP -C OP CA OP CA C OP CA CB +DIHE -CA -C OP CA +DIHE -O -C OP CA +DIHE -C OP CA C +DIHE -C OP CA CB +DIHE -N -CA -C OP +DIHE -CB -CA -C OP +DIHE OP CA C +N +DIHE OP CA C O +IMPH -C -CA OP -O CA OP C CB +ACCE -O -C +ACCE OP +IC -N -CA -C OP 0.00 0.00 180.00 0.00 0.00 +IC -CA -C OP CA 0.00 0.00 180.00 0.00 0.00 +IC -C OP CA C 0.00 0.00 180.00 0.00 0.00 +IC -CA OP *-C -O 0.00 0.00 180.00 0.00 0.00 +IC OP CA C +N 0.00 0.00 180.00 0.00 0.00 +IC OP C *CA CB 0.00 0.00 120.00 0.00 0.00 + +PRES ZTOE 0.00 +! this converts the Z- dehydrophe to E- dehydrophe +DIHE N CA CB CG +IC N CA CB CG 0.0000 0.00 180.0 0.00 0.0000 + +! +! Linking patches +! + +PRES LINK 0.00 +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide +! The patch should be applied as RES(N-term) - RES(C-term) +! It is assumed that default patching has already occurred +! This patch may NOT be applied to GLY residues or any residue +! whose alpha-carbon atom type is not CH1E +DELETE ATOM 2OXT +DELETE ATOM 1HT1 +DELETE ATOM 1HT2 +DELETE ATOM 1HT3 +ATOM 2C C 0.60 +ATOM 2O O -0.55 +ATOM 1H H 0.25 +ATOM 1N NP -0.40 +ATOM 1CA CH1E 0.10 +BOND 2C 1N 2C 2O 1N 1H +THET 2CA 2C 1N 2C 1N 1CA 2CA 2C 2O +THET 2C 1N 1H 1H 1N 1CA 2O 2C 1N +DIHE 2N 2CA 2C 1N +DIHE 2N 2CA 2C 2O +DIHE 2CB 2CA 2C 1N +DIHE 2CB 2CA 2C 2O +DIHE 2CA 2C 1N 1H +DIHE 2CA 2C 1N 1CA +DIHE 2O 2C 1N 1H +DIHE 2O 2C 1N 1CA +DIHE 2C 1N 1CA 1CB +DIHE 2C 1N 1CA 1C +DIHE 1H 1N 1CA 1CB +DIHE 1H 1N 1CA 1C +IMPH 2C 2CA 1N 2O 1N 2C 1CA 1H +IC 2N 2CA 2C 1N 0.00 0.00 180.00 0.00 0.00 +IC 2CA 2C 1N 1CA 0.00 0.00 180.00 0.00 0.00 +IC 2C 1N 1CA 1C 0.00 0.00 180.00 0.00 0.00 +IC 2CA 1N *2C 2O 0.00 0.00 180.00 0.00 0.00 +IC 2C 1CA *1N 1H 0.00 0.00 180.00 0.00 0.00 + +PRES LNK2 0.00 +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide ( reverse version of LINK) +! The patch should be applied as RES(C-term) - RES(N-term) +! It is assumed that default patching has already occurred +! This patch may NOT be applied to GLY residues or any residue +! whose alpha-carbon atom type is not CH1E +DELETE ATOM 1OXT +DELETE ATOM 2HT1 +DELETE ATOM 2HT2 +DELETE ATOM 2HT3 +ATOM 1C C 0.60 +ATOM 1O O -0.55 +ATOM 2H H 0.25 +ATOM 2N NP -0.40 +ATOM 2CA CH1E 0.10 +BOND 1C 2N 1C 1O 2N 2H +THET 1CA 1C 2N 1C 2N 2CA 1CA 1C 1O +THET 1C 2N 2H 2H 2N 2CA 1O 1C 2N +DIHE 1N 1CA 1C 2N +DIHE 1N 1CA 1C 1O +DIHE 1CB 1CA 1C 2N +DIHE 1CB 1CA 1C 1O +DIHE 1CA 1C 2N 2H +DIHE 1CA 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1C 2N 2CA 2CB +DIHE 1C 2N 2CA 2C +DIHE 2H 2N 2CA 2CB +DIHE 2H 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES LNPT 0.00 +! This patch creates a peptide bond between the C-terminus of +! the primary segment and the N-terminus of its image +! The primary sequence should be generated using first none last none +! Appropriate patches should be applied to the remaining ends +BOND 1C 2N +THET 1CA 1C 2N 1C 2N 2CA +THET 1C 2N 2H 1O 1C 2N +DIHE 1N 1CA 1C 2N 1CA 1C 2N 2CA 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + + +PRES LNP1 0.00 +! This is same as LINK but for case of PROLINE on the N terminus +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide for PROLINE at N-terminus +! The patch should be applied as RES(N-term) - RES(C-term) +! It is assumed that default patching has already occurred +! This patch may NOT be applied to GLY residues or any residue +! whose alpha-carbon atom type is not CH1E +!DELETE ATOM 2O +DELETE ATOM 2OXT +DELETE ATOM 1HT1 +DELETE ATOM 1HT2 +ATOM 2C C 0.60 +ATOM 2O O -0.55 +ATOM 1N NX -0.25 +ATOM 1CA CH1E 0.10 +ATOM 1CD CH2E 0.10 +BOND 2C 1N 2C 2O +THET 2CA 2C 1N 2C 1N 1CA 2CA 2C 2O +THET 2O 2C 1N +DIHE 2N 2CA 2C 1N +DIHE 2N 2CA 2C 2O +DIHE 2CB 2CA 2C 1N +DIHE 2CB 2CA 2C 2O +DIHE 2CA 2C 1N 1CD +DIHE 2CA 2C 1N 1CA +DIHE 2O 2C 1N 1CD +DIHE 2O 2C 1N 1CA +DIHE 2C 1N 1CA 1CB +DIHE 2C 1N 1CA 1C +DIHE 1CD 1N 1CA 1CB +DIHE 1CD 1N 1CA 1C +IMPH 2C 2CA 1N 2O +IC 2N 2CA 2C 1N 0.00 0.00 180.00 0.00 0.00 +IC 2CA 2C 1N 1CA 0.00 0.00 180.00 0.00 0.00 +IC 2C 1N 1CA 1C 0.00 0.00 180.00 0.00 0.00 +IC 2N 2CA 2C 2O 0.00 0.00 0.00 0.00 0.00 +IC 1N 2CA *2C 2O 0.00 0.00 180.00 0.00 0.00 + +PRES LNP2 0.00 +! Link patch for Proline at the N terminus +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide ( reverse version of LINK) +! The patch should be applied as RES(C-term) - RES(N-term) +! It is assumed that default patching has already occurred +!DELETE ATOM 1O +DELETE ATOM 1OXT +DELETE ATOM 2HT1 +DELETE ATOM 2HT2 +ATOM 1C C 0.60 +ATOM 1O O -0.55 +ATOM 2N NX -0.25 +ATOM 2CA CH1E 0.10 +ATOM 2CD CH2E 0.10 +BOND 1C 2N 1C 1O +THET 1CA 1C 2N 1C 2N 2CA 1CA 1C 1O +THET 1O 1C 2N +DIHE 1N 1CA 1C 2N +DIHE 1N 1CA 1C 1O +DIHE 1CB 1CA 1C 2N +DIHE 1CB 1CA 1C 1O +DIHE 1CA 1C 2N 2CD +DIHE 1CA 1C 2N 2CA +DIHE 1O 1C 2N 2CD +DIHE 1O 1C 2N 2CA +DIHE 1C 2N 2CA 2CB +DIHE 1C 2N 2CA 2C +DIHE 2CD 2N 2CA 2CB +DIHE 2CD 2N 2CA 2C +IMPH 1C 1CA 2N 1O +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 + +PRES LIMG 0.00 +! This patch creates a peptide bond between the C-terminus of +! the primary segment and the N-terminus of its image +! The primary sequence should be generated using first none last none +! Appropriate patches should be applied to the remaining ends +BOND 1C 2N +THET 1CA 1C 2N 1C 2N 2CA +THET 1C 2N 2H 1O 1C 2N +DIHE 1N 1CA 1C 2N +DIHE 1N 1CA 1C 1O +DIHE 1CB 1CA 1C 2N +DIHE 1CB 1CA 1C 1O +DIHE 1CA 1C 2N 2H +DIHE 1CA 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1C 2N 2CA 2CB +DIHE 1C 2N 2CA 2C +DIHE 2H 2N 2CA 2CB +DIHE 2H 2N 2CA 2C +!DIHE 1N 1CA 1C 2N 1CA 1C 2N 2CA 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES DLNK 0.00 +! This patch will connect the carboxyl group of ASP with the N-terminal +! end of a peptide to form a cyclic peptide +! The patch should be applied as RES(ASP) - RES(N-term) +DELE ATOM 2HT2 +DELE ATOM 2HT3 +DELE ATOM 1OD2 +ATOM 1CG C 0.60 +ATOM 1OD1 O -0.55 +ATOM 2HT1 H 0.25 +ATOM 2N NP -0.40 +ATOM 1CB CH2E 0.00 +ATOM 2CA CH1E 0.10 +BOND 1CG 2N 2N 2HT1 +THET 1CB 1CG 2N 1OD1 1CG 2N +THET 1CG 2N 2HT1 1CG 2N 2CA +DIHE 1CB 1CG 2N 2CA +DIHE 1CB 1CG 2N 2HT1 +DIHE 1OD1 1CG 2N 2CA +DIHE 1OD1 1CG 2N 2HT1 +DIHE 1CG 2N 2CA 2C +DIHE 1CG 2N 2CA 2CB +IMPH 1CG 1CB 2N 1OD1 2N 1CG 2CA 2HT1 +IC 1CB 1CG 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1CG 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1OD1 1CB *1CG 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CG 2CA *2N 2HT1 0.00 0.00 180.00 0.00 0.00 + +PRES KLNK 0.00 +! This patch will connect the amino group of LYS with the C-terminal +! end of a peptide to form a cyclic peptide +! The patch should be applied as RES(LYS) - RES(C-term) +DELE ATOM 2OXT +DELE ATOM 1HZ2 +DELE ATOM 1HZ3 +ATOM 2O O -.55 +ATOM 2C C .60 +ATOM 1HZ1 H 0.25 +ATOM 1NZ NP -0.40 +ATOM 1CE CH2E 0.10 +BOND 2C 1NZ +THET 2CA 2C 1NZ 2O 2C 1NZ +THET 2C 1NZ 1HZ1 2C 1NZ 1CE +DIHE 2N 2CA 2C 1NZ +DIHE 2CA 2C 1NZ 1CE +DIHE 2CA 2C 1NZ 1HZ1 +DIHE 2OCT1 2C 1NZ 1CE +DIHE 2OCT1 2C 1NZ 1HZ1 +DIHE 2C 1NZ 1CE 1CD +IMPH 2C 2CA 1NZ 2O 1NZ 2C 1CE 1HZ1 +IC 2N 2CA 2C 1NZ 0.00 0.00 180.00 0.00 0.00 +IC 2CA 2C 1NZ 1CE 0.00 0.00 180.00 0.00 0.00 +IC 2C 1NZ 1CE 1CD 0.00 0.00 180.00 0.00 0.00 +IC 1NZ 2CA *2C 2O 0.0 0.00 180.00 0.00 0.00 +IC 2C 1CE *1NZ 1HZ1 0.00 0.00 180.00 0.00 0.00 + +PRES ILNK 0.0 +BOND 1C 2N +THET 1C 2N 2CA 1CA 1C 2N +THET 1O 1C 2N 1C 2N 2H +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1CB 1C 2N 2CA +DIHE 1CB 1C 2N 2H +IMPH 2N 1C 2CA 2H 1C 1CA 2N 1O +IC 1N 1CA 1C 2N 0.0000 0.00 180.00 0.00 0.0000 +IC 2N 1CA *1C 1O 0.0000 0.00 180.00 0.00 0.0000 +IC 1CA 1C 2N 2CA 0.0000 0.00 180.00 0.00 0.0000 +IC 1C 2N 2CA 2C 0.0000 0.00 180.00 0.00 0.0000 +IC 1C 2CA *2N 2H 0.0000 0.00 180.00 0.00 0.0000 + + +PRES JOAA 0.00 !join unpatched chains (first not GLY second not PRO or GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CB 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOGA 0.00 !join unpatched chains (first GLY second not PRO or GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOGG 0.00 !join unpatched chains (first GLY second GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOAG 0.00 !join unpatched chains (first not GLY second GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CB 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOAP 0.00 !join unpatched chains (first not GLY second PRO) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2CD 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CB 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2CD +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2CD +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2CD +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2CD 0.00 0.00 180.00 0.00 0.00 + +PRES JOGP 0.00 !join unpatched chains (first GLY second PRO) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2CD 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2CD +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2CD +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2CD +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2CD 0.00 0.00 180.00 0.00 0.00 + +RESI SES 0.00 ! Serine sidechain +GROU +ATOM OT OT -0.65 +ATOM CH3 CH3E 0.25 +ATOM HO H 0.40 +BOND CH3 OT OT HO +DONO HO OT +ACCE OT + +RESI ACD 0.000 +GROUP +ATOM N1 NP -0.600 +ATOM C2 C 0.600 +ATOM C3 CH3E -0.050 +ATOM O4 O -0.550 +ATOM H1 H 0.300 +ATOM H2 H 0.300 +BOND N1 C2 +BOND N1 H1 +BOND N1 H2 +BOND C2 C3 +BOND C2 O4 +IMPH N1 H1 H2 C2 +IMPH C2 N1 O4 C3 +IC H1 N1 C2 C3 1.00 117.06 180.00 113.72 1.51 +IC H2 N1 C2 C3 1.00 121.32 -0.00 113.72 1.51 +IC H1 N1 C2 O4 1.00 117.06 -0.00 123.55 1.22 +IC C2 H1 *N1 H2 1.33 117.06 180.00 121.62 1.00 +IC N1 C3 *C2 O4 1.33 113.72 180.00 122.74 1.22 + +RESI ACN 0.000 +GROUP +ATOM C1 CH3E 0.070 +ATOM C2 CUY1 0.430 +ATOM N N -0.500 +BOND C1 C2 +BOND C2 N + +RESI ACT 0.00 ! Acetone +GROU +ATOM C C 0.60 +ATOM O O -0.55 +ATOM CH1 CH3E -0.025 +ATOM CH2 CH3E -0.025 +BOND CH1 C C O C CH2 +IMPH C O CH2 CH1 +ACCE O C + + +RESI BUT 0.000 +GROUP +ATOM C CT 0.250 +ATOM C1 CH3E 0.000 +ATOM C2 CH3E 0.000 +ATOM C3 CH3E 0.000 +ATOM O OT -0.650 +ATOM H1 H 0.400 +BOND C C1 +BOND C C2 +BOND C C3 +BOND C O +BOND O H1 +IC C1 C O H1 1.56 107.09 180.00 109.47 1.09 +IC C2 C O H1 1.56 107.65 -60.03 109.47 1.09 +IC C3 C O H1 1.56 107.62 60.02 109.47 1.09 + +RESI URE 0.000 ! Urea +GROUP +ATOM C C 0.594 +ATOM O O -0.556 +ATOM N1 N -0.607 +ATOM N2 N -0.607 +ATOM H1 H 0.294 +ATOM H2 H 0.294 +ATOM H3 H 0.294 +ATOM H4 H 0.294 +BOND C O +BOND N1 C N1 H1 N1 H2 +BOND N2 C N2 H3 N2 H4 +IMPH N1 H1 H2 C +IMPH N2 H3 H4 C +IMPH C N1 N2 O +ACCE O C +DONO H1 N1 +DONO H2 N1 +DONO H3 N2 +DONO H4 N2 + +RESI PHN 0.000 !Phenol - quanta created +ATOM C1 C6R 0.25 +ATOM C2 C6RE 0.00 +ATOM C3 C6RE 0.00 +ATOM C4 C6RE 0.00 +ATOM C5 C6RE 0.00 +ATOM C6 C6RE 0.00 +ATOM O OT -0.65 +ATOM HO H 0.40 +BOND C1 C2 +BOND C2 C3 +BOND C3 C4 +BOND C4 C5 +BOND C5 C6 +BOND C6 C1 +BOND C1 O +BOND O HO + + +RESI BEN 0.000 +GROUP +ATOM CG C6RE 0.000 +ATOM CD1 C6RE 0.000 +ATOM CE1 C6RE 0.000 +ATOM CZ C6RE 0.000 +ATOM CE2 C6RE 0.000 +ATOM CD2 C6RE 0.000 +BOND CG CD1 CG CD2 CD1 CE1 +BOND CD2 CE2 CE1 CZ CE2 CZ +IMPH CG CD1 CE1 CZ CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 +IMPH CZ CE2 CD2 CG CE2 CD2 CG CD1 CD2 CG CD1 CE1 +IC CD1 CG CD2 CE2 0.0000 120.00 0.00 120.00 0.0000 +IC CD2 CG CD1 CE1 0.0000 120.00 0.00 120.00 0.0000 +IC CG CD1 CE1 CZ 0.0000 120.00 0.00 120.00 0.0000 + + +RESI DME 0.000 +GROUP +ATOM C1 CH3E 0.185 +ATOM O1 OT -0.370 +ATOM C2 CH3E 0.185 +BOND C1 O1 +BOND O1 C2 + +RESI CHX 0.000 +GROUP +ATOM C1 CH2E 0.000 +ATOM C2 CH2E 0.000 +ATOM C3 CH2E 0.000 +ATOM C4 CH2E 0.000 +ATOM C5 CH2E 0.000 +ATOM C6 CH2E 0.000 +BOND C1 C2 +BOND C1 C6 +BOND C2 C3 +BOND C3 C4 +BOND C4 C5 +BOND C5 C6 +IC C6 C1 C2 C3 1.53 111.15 55.63 111.16 1.53 +IC C1 C2 C3 C4 1.53 111.16 -55.63 111.15 1.53 +IC C2 C3 C4 C5 1.53 111.15 55.62 111.15 1.53 +IC C3 C4 C5 C6 1.53 111.15 -55.63 111.16 1.53 +IC C4 C5 C6 C1 1.53 111.16 55.63 111.15 1.53 +IC C5 C6 C1 C2 1.53 111.15 -55.62 111.15 1.53 + + +RESI BDY -0.000 +GROUP +ATOM C1 C6R 0.085 +ATOM C2 C6RE -0.014 +ATOM C3 C6RE -0.014 +ATOM C4 C6RE -0.014 +ATOM C5 C6RE -0.014 +ATOM C6 C6RE -0.014 +ATOM C7 C 0.230 +ATOM H1 HA 0.185 +ATOM O1 OA -0.430 +BOND C1 C2 +BOND C1 C6 +BOND C2 C3 +BOND C3 C4 +BOND C4 C5 +BOND C5 C6 +BOND C1 C7 +BOND C7 H1 +BOND C7 O1 +IMPH C6 C1 C2 C3 +IMPH C2 C1 C6 C5 +IMPH C1 C2 C3 C4 +IMPH C2 C3 C4 C5 +IMPH C3 C4 C5 C6 +IMPH C4 C5 C6 C1 +IMPH C1 C2 C6 C7 +IMPH C7 C1 O1 H1 +IC C6 C1 C2 C3 1.41 120.68 0.00 119.73 1.41 +IC C7 C1 C2 C3 1.47 119.45 -180.00 119.73 1.41 +IC C2 C6 *C1 C7 1.41 120.68 180.00 119.87 1.47 +IC C1 C2 C3 C4 1.41 119.73 -0.00 119.20 1.41 +IC C2 C3 C4 C5 1.41 119.20 -0.00 121.46 1.41 +IC C3 C4 C5 C6 1.41 121.46 0.00 119.20 1.41 +IC C4 C5 C6 C1 1.41 119.20 -0.00 119.72 1.41 +IC C5 C6 C1 C2 1.41 119.72 -0.00 120.68 1.41 +IC C5 C6 C1 C7 1.41 119.72 180.00 119.87 1.47 +IC C2 C1 C7 O1 1.41 119.45 -0.03 124.23 1.21 +IC C6 C1 C7 O1 1.41 119.87 179.97 124.23 1.21 +IC C2 C1 C7 H1 1.41 119.45 179.97 114.45 1.09 +IC C1 H1 *C7 O1 1.47 114.45 180.00 121.32 1.21 + +RESI AMN 0.000 +GROUP +ATOM C1 CH3E 0.000 +ATOM N1 NT -0.300 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND C1 N1 +BOND N1 H1 +BOND N1 H2 + +RESI ADY 0.000 +GROUP +ATOM C1 CH3E 0.000 +ATOM C2 C 0.230 +ATOM O1 OA -0.430 +ATOM H1 HA 0.200 +BOND C1 C2 +BOND C2 O1 +BOND C2 H1 +IMPH C2 C1 O1 H1 + +RESI ETH 0.000 +GROUP +ATOM C1 CH3E 0.000 +ATOM C2 CH3E 0.000 +BOND C1 C2 + +RESI THS 0.00 ! Threonine sidechain +GROU +ATOM CH CH1E 0.25 +ATOM CH1 CH3E 0.00 +ATOM CH2 CH3E 0.00 +ATOM OT OT -0.65 +ATOM HO H 0.40 +BOND CH1 CH CH OT CH CH2 OT HO +IMPH CH OT CH2 CH1 +DONO OT HO +ACCE OT + +RESI EOL 0.000 +GROUP +ATOM C2 CH2E 0.125 +ATOM C1 CH3E 0.125 +ATOM O OT -0.650 +ATOM H1 HO 0.400 +BOND C2 C1 +BOND C2 O +BOND O H1 +IC C1 C2 O H1 1.53 110.50 -180.00 109.47 1.09 + +RESI DFO 0.000 +GROUP +ATOM C2 C 0.600 +ATOM N3 NP -0.400 +ATOM O4 O -0.550 +ATOM C3 CH3E 0.100 +ATOM C1 CH3E 0.100 +ATOM H1 HA 0.150 +BOND C2 N3 +BOND C2 O4 +BOND N3 C3 +BOND N3 C1 +BOND C2 H1 +IMPH C2 N3 O4 H1 +IMPH N3 C3 C1 C2 +IC O4 C2 N3 C3 1.23 124.96 180.00 119.83 1.46 +IC H1 C2 N3 C3 1.09 117.53 -0.03 119.83 1.46 +IC O4 C2 N3 C1 1.23 124.96 -0.00 118.52 1.46 +IC N3 O4 *C2 H1 1.36 124.96 -179.97 117.51 1.09 +IC C2 C3 *N3 C1 1.36 119.83 -180.00 121.65 1.46 + + +! peptide probes +RESI PR1 1.0 ! Arginine guanidinium cation +GROU +ATOM NE NP -0.30 !modified from -0.4 +ATOM HE H 0.30 +ATOM CZ C 0.50 +GROU +ATOM NH1 NC -0.45 +ATOM HH11 HC 0.35 +ATOM HH12 HC 0.35 +GROU +ATOM NH2 NC -0.45 +ATOM HH21 HC 0.35 +ATOM HH22 HC 0.35 +BOND NE HE NE CZ CZ NH1 CZ NH2 NH1 HH11 +BOND NH1 HH12 NH2 HH21 NH2 HH22 +IMPH CZ NH1 NH2 NE NH1 HH12 HH11 CZ NH2 HH22 HH21 CZ +DONO HE NE +DONO HH11 NH1 +DONO HH12 NH1 +DONO HH21 NH2 +DONO HH22 NH2 +IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 +IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 +IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 +IC HH21 CZ *NH2 HH22 0.0000 0.00 180.00 0.00 0.0000 + +RESI PD1 -1.00! Aspartic acid acetate anion +GROU +ATOM CB CH2E 0.00 +ATOM CG C 0.14 +ATOM OD1 OC -0.57 +ATOM OD2 OC -0.57 +BOND CB CG CG OD1 CG OD2 +IMPH CG OD1 OD2 CB +ACCE OD1 CG +ACCE OD2 CG +IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PE1 -1.00 ! Glutamic acid propanoate anion +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.00 +ATOM CD C 0.14 +ATOM OE1 OC -0.57 +ATOM OE2 OC -0.57 +BOND CB CG CG CD CD OE1 CD OE2 +IMPH CD OE1 OE2 CG +ACCE OE1 CD +ACCE OE2 CD +IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CG *CD OE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PC1 0.00 ! Cysteine methanethiol +GROU +ATOM CB CH2E 0.19 +ATOM SG SH1E -0.19 +BOND CB SG + +RESI PH1 0.00 ! Histidine (uncharged with proton on nd1) +GROU ! probe1 +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM HD1 H 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM CE1 C5RE 0.30 +BOND CB CG CG ND1 CG CD2 ND1 HD1 ND1 CE1 +BOND CD2 NE2 CE1 NE2 +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO HD1 ND1 +ACCE NE2 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 + +RESI PH2 0.00 ! Histidine isomer ( proton at ne2 ) +GROUP ! probe2 +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM CE1 C5RE 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM HE2 H 0.30 +BOND CB CG CG ND1 CG CD2 ND1 CE1 CD2 NE2 +BOND CE1 NE2 NE2 HE2 +IMPH CG ND1 CD2 CB NE2 CE1 CD2 HE2 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO HE2 NE2 +ACCE ND1 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PH3 1.00 ! Protonated HIS +GROU +ATOM CB CH2E 0.10 +ATOM CG C5R 0.15 +ATOM CD2 C5RE 0.20 +GROU +ATOM ND1 N5R -0.30 +ATOM HD1 H 0.35 +GROU +ATOM CE1 C5RE 0.45 +GROU +ATOM NE2 N5R -0.30 +ATOM HE2 H 0.35 +BOND CB CG CG ND1 CG CD2 ND1 HD1 ND1 CE1 +BOND CD2 NE2 CE1 NE2 NE2 HE2 +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 NE2 CD2 CE1 HE2 +DONO HD1 ND1 +DONO HE2 NE2 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PI1 0.00 ! Isoleucine butane +GROU +ATOM CB CH1E 0.00 +ATOM CG2 CH3E 0.00 +GROU +ATOM CG1 CH2E 0.00 +ATOM CD CH3E 0.00 +BOND CB CG1 CB CG2 CG1 CD + +RESI PI2 0.00 ! Isoleucine ethane +GROU +ATOM CG1 CH2E 0.00 +ATOM CD CH3E 0.00 +BOND CG1 CD + + +RESI PL1 0.00 ! Leucine isobutane +GROU +ATOM CB CH2E 0.00 +ATOM CG CH1E 0.00 +ATOM CD1 CH3E 0.00 +ATOM CD2 CH3E 0.00 +BOND CB CG CG CD1 CG CD2 +IMPH CG CD2 CD1 CB +IC CD1 CB *CG CD2 0.0000 0.00 120.00 0.00 0.0000 + +RESI PK1 1.00 ! Lysine ethylamine +GROU +ATOM CD CH2E 0.00 +GROU +ATOM CE CH2E 0.25 +ATOM NZ NT -0.30 +ATOM HZ1 HC 0.35 +ATOM HZ2 HC 0.35 +ATOM HZ3 HC 0.35 +BOND CD CE CE NZ NZ HZ1 NZ HZ2 NZ HZ3 +DONO HZ1 NZ +DONO HZ2 NZ +DONO HZ3 NZ +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 +IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 + +RESI PM1 0.00 ! Methionine dimethylsulfide +GROU +ATOM CG CH2E 0.06 +ATOM SD SE -0.12 +ATOM CE CH3E 0.06 +BOND CG SD SD CE + +RESI PP1 0.00 ! Proline pyrrolidine +GROU +ATOM N NX -0.25 +ATOM CD CH2E 0.10 +ATOM CA CH1E 0.15 ! modified from 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +BOND N CA N CD CA CB CB CG CG CD +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 + +RESI PW1 0.00 ! Tryptophan indole +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG C5R -0.03 +ATOM CD2 CR56 0.10 +ATOM CE2 CR56 -0.04 +ATOM CE3 C6RE -0.03 +GROU +ATOM CD1 C5RE 0.06 +ATOM NE1 N5R -0.36 +ATOM HE1 H 0.30 +GROU +ATOM CZ2 C6RE 0.00 +ATOM CZ3 C6RE 0.00 +ATOM CH2 C6RE 0.00 +GROU +BOND CB CG CG CD1 CG CD2 CD1 NE1 CD2 CE2 +BOND NE1 HE1 NE1 CE2 CD2 CE3 CE2 CZ2 CE3 CZ3 +BOND CZ2 CH2 CZ3 CH2 +IMPH CG CD1 CD2 CB NE1 CD1 CE2 HE1 CD2 CE2 CZ2 CH2 +IMPH CE2 CZ2 CH2 CZ3 CZ2 CH2 CZ3 CE3 CH2 CZ3 CE3 CD2 +IMPH CZ3 CE3 CD2 CE2 CE3 CD2 CE2 CZ2 CG CD1 NE1 CE2 +IMPH CD1 NE1 CE2 CD2 NE1 CE2 CD2 CG CE2 CD2 CG CD1 +IMPH CD2 CG CD1 NE1 CD2 CG CE3 CE2 CE2 NE1 CZ2 CD2 +DONO HE1 NE1 +IC CD2 CB *CG CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CG CD1 NE1 0.0000 0.00 0.00 0.00 0.0000 +IC CE2 CD1 *NE1 HE1 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CG *CD2 CE3 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CD2 CE3 CZ3 0.0000 0.00 0.00 0.00 0.0000 +IC CE3 CD2 CE2 CZ2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CE2 CZ2 CH2 0.0000 0.00 0.00 0.00 0.0000 + +RESI PV1 0.00 ! Valine propane +GROU +ATOM CB CH1E 0.00 +ATOM CG1 CH3E 0.00 +ATOM CG2 CH3E 0.00 +BOND CB CG1 CB CG2 + + +! more primary amines + +RESI R23 0.000 ! propylamine +GROUP +ATOM N NT -0.300 +ATOM C CH2E 0.000 +ATOM C3 CH2E 0.000 +ATOM C4 CH3E 0.000 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND N C +BOND N H1 +BOND N H2 +BOND C C3 +BOND C3 C4 + +RESI SAU 0.000 ! isopropylamine +GROUP +ATOM N1 NT -0.300 +ATOM C1 CH1E 0.000 +ATOM C2 CH3E 0.000 +ATOM C3 CH3E 0.000 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND N1 C1 +BOND C1 C2 +BOND C1 C3 +BOND N1 H1 +BOND N1 H2 +IMPH C1 C3 N1 C2 + +RESI SBF 0.000 ! t-butylamine +GROUP +ATOM N1 NT -0.300 +ATOM C1 CT 0.069 +ATOM C2 CH3E -0.023 +ATOM C3 CH3E -0.023 +ATOM C4 CH3E -0.023 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND N1 C1 +BOND C1 C2 +BOND C1 C3 +BOND C1 C4 +BOND N1 H1 +BOND N1 H2 + +RESI GTP -4.00 +ATOM PG PO4 1.110 +ATOM O1G O -0.550 +ATOM O2G O -0.550 +ATOM O3G O -0.550 +ATOM O3B OS -0.670 +ATOM PB PO4 1.110 +ATOM O1B O -0.550 +ATOM O2B O -0.550 +ATOM O3A OS -0.670 +ATOM PA PO4 1.110 +ATOM O1A O -0.550 +ATOM O2A O -0.550 +ATOM O5' OS -0.670 +ATOM C5' CH2E 0.229 +ATOM C4' CH1E 0.259 +ATOM O4' OE -0.370 +ATOM C3' CH1E 0.409 +ATOM O3' OT -0.650 +ATOM C2' CH1E 0.408 +ATOM O2' OT -0.650 +ATOM C1' CH1E 0.359 +ATOM N9 N5R -0.540 +ATOM C8 C5R 0.159 +ATOM N7 N5R -0.540 +ATOM C5 CR56 -0.100 +ATOM C6 C6R 0.409 +ATOM O6 O -0.550 +ATOM N1 N6R -0.770 +ATOM C2 C6R 1.028 +ATOM N2 NP -0.400 +ATOM N3 N6R -0.710 +ATOM C4 CR56 0.550 +BOND PG O1G +BOND PG O2G +BOND PG O3G +BOND PG O3B +BOND O3B PB +BOND PB O1B +BOND PB O2B +BOND PB O3A +BOND O3A PA +BOND PA O1A +BOND PA O2A +BOND PA O5' +BOND O5' C5' +BOND C5' C4' +BOND C4' O4' +BOND C4' C3' +BOND O4' C1' +BOND C3' O3' +BOND C3' C2' +BOND C2' O2' +BOND C2' C1' +BOND C1' N9 +BOND N9 C8 +BOND N9 C4 +BOND C8 N7 +BOND N7 C5 +BOND C5 C6 +BOND C5 C4 +BOND C6 O6 +BOND C6 N1 +BOND N1 C2 +BOND C2 N2 +BOND C2 N3 +BOND N3 C4 + +RESI GNP -4.00 +ATOM PG PO4 1.110 +ATOM O1G O -0.550 +ATOM O2G O -0.550 +ATOM O3G O -0.550 +ATOM N3B OS -0.670 +ATOM PB PO4 1.110 +ATOM O1B O -0.550 +ATOM O2B O -0.550 +ATOM O3A OS -0.670 +ATOM PA PO4 1.110 +ATOM O1A O -0.550 +ATOM O2A O -0.550 +ATOM O5' OS -0.670 +ATOM C5' CH2E 0.229 +ATOM C4' CH1E 0.259 +ATOM O4' OE -0.370 +ATOM C3' CH1E 0.409 +ATOM O3' OT -0.650 +ATOM C2' CH1E 0.408 +ATOM O2' OT -0.650 +ATOM C1' CH1E 0.359 +ATOM N9 N5R -0.540 +ATOM C8 C5R 0.159 +ATOM N7 N5R -0.540 +ATOM C5 CR56 -0.100 +ATOM C6 C6R 0.409 +ATOM O6 O -0.550 +ATOM N1 N6R -0.770 +ATOM C2 C6R 1.028 +ATOM N2 NP -0.400 +ATOM N3 N6R -0.710 +ATOM C4 CR56 0.550 +BOND PG O1G +BOND PG O2G +BOND PG O3G +BOND PG N3B +BOND N3B PB +BOND PB O1B +BOND PB O2B +BOND PB O3A +BOND O3A PA +BOND PA O1A +BOND PA O2A +BOND PA O5' +BOND O5' C5' +BOND C5' C4' +BOND C4' O4' +BOND C4' C3' +BOND O4' C1' +BOND C3' O3' +BOND C3' C2' +BOND C2' O2' +BOND C2' C1' +BOND C1' N9 +BOND N9 C8 +BOND N9 C4 +BOND C8 N7 +BOND N7 C5 +BOND C5 C6 +BOND C5 C4 +BOND C6 O6 +BOND C6 N1 +BOND N1 C2 +BOND C2 N2 +BOND C2 N3 +BOND N3 C4 + +RESI MG 2.00 +ATOM MG MMG 2.00 + +RESI MSE 0.00 ! Methionine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.06 +ATOM SE SE -0.12 +ATOM CE CH3E 0.06 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG SE SE CE +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG SE 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG SE CE 0.0000 0.00 180.00 0.00 0.0000 + + +RESI RIM -0.0000 +ATOM CA CH3E 0.0282 +ATOM CB CH1E 0.2265 +ATOM NC NT -0.902500 +ATOM CD CT -0.084300 +ATOM CE1 CH2E 0.0114 +ATOM CE2 CH2E 0.0246 +ATOM CE3 CH2E 0.0118 +ATOM CF1 CH1E -0.0135 +ATOM CF2 CH1E -0.0146 +ATOM CF3 CH1E -0.0136 +ATOM CG1 CH2E 0.0122 +ATOM CG2 CH2E 0.0131 +ATOM CG3 CH2E 0.0106 +ATOM HNC1 H 0.347600 +ATOM HNC2 H 0.342500 + +BOND CA CB ! dist 1.5357 +BOND CB NC ! dist 1.4890 +BOND CB CD ! dist 1.5517 +BOND NC HNC1 ! dist 0.9800 +BOND NC HNC2 ! dist 0.9805 +BOND CD CE1 ! dist 1.5384 +BOND CD CE2 ! dist 1.5411 +BOND CD CE3 ! dist 1.5347 +BOND CE1 CF1 ! dist 1.5330 +BOND CE2 CF2 ! dist 1.5300 +BOND CE3 CF3 ! dist 1.5285 +BOND CF1 CG1 ! dist 1.5245 +BOND CF1 CG3 ! dist 1.5226 +BOND CF2 CG1 ! dist 1.5230 +BOND CF2 CG2 ! dist 1.5212 +BOND CF3 CG2 ! dist 1.5214 +BOND CF3 CG3 ! dist 1.5224 + +ANGL CA CB NC ! angle 109.0421 +ANGL CA CB CD ! angle 111.9613 +ANGL CB NC HNC1 ! angle 119.8944 +ANGL CB NC HNC2 ! angle 119.9485 +ANGL CB CD CE1 ! angle 110.5312 +ANGL CB CD CE2 ! angle 111.1951 +ANGL CB CD CE3 ! angle 107.8194 +ANGL NC CB CD ! angle 109.2896 +ANGL CD CE1 CF1 ! angle 109.3525 +ANGL CD CE2 CF2 ! angle 109.4758 +ANGL CD CE3 CF3 ! angle 110.0076 +ANGL CE1 CD CE2 ! angle 109.2707 +ANGL CE1 CD CE3 ! angle 108.8290 +ANGL CE1 CF1 CG1 ! angle 109.6727 +ANGL CE1 CF1 CG3 ! angle 109.2739 +ANGL CE2 CD CE3 ! angle 109.1442 +ANGL CE2 CF2 CG1 ! angle 108.8928 +ANGL CE2 CF2 CG2 ! angle 109.8070 +ANGL CE3 CF3 CG2 ! angle 109.0296 +ANGL CE3 CF3 CG3 ! angle 109.4002 +ANGL CF1 CG1 CF2 ! angle 110.0602 +ANGL CF1 CG3 CF3 ! angle 109.9444 +ANGL CF2 CG2 CF3 ! angle 109.9644 +ANGL CG1 CF1 CG3 ! angle 109.2341 +ANGL CG1 CF2 CG2 ! angle 109.5282 +ANGL CG2 CF3 CG3 ! angle 109.5724 +ANGL HNC1 NC HNC2 ! angle 120.0219 + +DIHE CA CB NC HNC1 ! dihe -170.6664 +DIHE CD CB NC HNC1 ! dihe 66.6526 +DIHE CA CB NC HNC2 ! dihe 5.1081 +DIHE CD CB NC HNC2 ! dihe -117.5730 +DIHE CA CB CD CE1 ! dihe -81.9256 +DIHE NC CB CD CE1 ! dihe 38.9947 +DIHE CA CB CD CE2 ! dihe 39.6222 +DIHE NC CB CD CE2 ! dihe 160.5425 +DIHE CA CB CD CE3 ! dihe 159.2333 +DIHE NC CB CD CE3 ! dihe -79.8464 +DIHE CB CD CE1 CF1 ! dihe -178.1503 +DIHE CE2 CD CE1 CF1 ! dihe 59.1716 +DIHE CE3 CD CE1 CF1 ! dihe -59.9242 +DIHE CB CD CE2 CF2 ! dihe 177.5472 +DIHE CE1 CD CE2 CF2 ! dihe -60.1723 +DIHE CE3 CD CE2 CF2 ! dihe 58.7279 +DIHE CB CD CE3 CF3 ! dihe 179.5736 +DIHE CE1 CD CE3 CF3 ! dihe 59.6511 +DIHE CE2 CD CE3 CF3 ! dihe -59.5238 +DIHE CD CE1 CF1 CG1 ! dihe -59.2156 +DIHE CD CE1 CF1 CG3 ! dihe 60.4962 +DIHE CD CE2 CF2 CG1 ! dihe 60.5986 +DIHE CD CE2 CF2 CG2 ! dihe -59.3207 +DIHE CD CE3 CF3 CG2 ! dihe 60.1981 +DIHE CD CE3 CF3 CG3 ! dihe -59.6139 +DIHE CE1 CF1 CG1 CF2 ! dihe 60.3093 +DIHE CG3 CF1 CG1 CF2 ! dihe -59.4268 +DIHE CE1 CF1 CG3 CF3 ! dihe -60.4774 +DIHE CG1 CF1 CG3 CF3 ! dihe 59.5044 +DIHE CE2 CF2 CG1 CF1 ! dihe -60.7628 +DIHE CG2 CF2 CG1 CF1 ! dihe 59.3291 +DIHE CE2 CF2 CG2 CF3 ! dihe 60.3707 +DIHE CG1 CF2 CG2 CF3 ! dihe -59.1609 +DIHE CE3 CF3 CG2 CF2 ! dihe -60.3711 +DIHE CG3 CF3 CG2 CF2 ! dihe 59.3344 +DIHE CE3 CF3 CG3 CF1 ! dihe 59.8788 +DIHE CG2 CF3 CG3 CF1 ! dihe -59.5993 + + + + +RESI HEC 0.00000 +GROU +ATOM FE FE 1.66 +ATOM NA NP -0.25 +ATOM NB NP -0.25 +ATOM NC NP -0.25 +ATOM ND NP -0.25 +GROU +ATOM C1A C 0.06 +ATOM CHA CR1E 0.07 +ATOM C4D C 0.05 +GROU +ATOM C1B C 0.06 +ATOM CHB CR1E 0.07 +ATOM C4A C 0.05 +GROU +ATOM C1C C 0.06 +ATOM CHC CR1E 0.07 +ATOM C4B C 0.05 +GROU +ATOM C1D C 0.06 +ATOM CHD CR1E 0.07 +ATOM C4C C 0.05 +GROU +ATOM C2A C -0.01 +ATOM CAA CH2E 0.05 +GROU +ATOM C3A C 0.03 +ATOM CMA CH3E -0.03 +GROU +ATOM CBA CH2E -0.07 +ATOM CGA C 0.33 +ATOM O1A OC -0.47 +ATOM O2A OC -0.47 +GROU +ATOM C2B C 0.03 +ATOM CMB CH3E -0.03 +GROU +ATOM C3B C -0.02 +ATOM CAB CR1E 0.06 +ATOM CBB CH2E -0.07 +GROU +ATOM C2C C 0.03 +ATOM CMC CH3E -0.03 +GROU +ATOM C3C C -0.02 +ATOM CAC CR1E 0.06 +ATOM CBC CH2E -0.07 +GROU +ATOM C2D C 0.03 +ATOM CMD CH3E -0.03 +GROU +ATOM C3D C -0.03 +ATOM CAD CH2E 0.03 +GROU +ATOM CBD CH2E -0.07 +ATOM CGD C 0.33 +ATOM O1D OC -0.47 +ATOM O2D OC -0.47 +BOND FE NA FE NB FE NC FE ND NA C1A +BOND C1A C2A C2A C3A C3A C4A NA C4A C2A CAA +BOND CAA CBA CBA CGA CGA O1A CGA O2A C3A CMA +BOND CHB C4A CHB C1B NB C1B C1B C2B C2B C3B +BOND C3B C4B NB C4B C2B CMB C3B CAB CAB CBB +BOND CHC C4B CHC C1C NC C1C C1C C2C C2C C3C +BOND C3C C4C NC C4C C2C CMC C3C CAC CAC CBC +BOND CHD C4C CHD C1D ND C1D C1D C2D C2D C3D +BOND C3D C4D ND C4D C2D CMD C3D CAD CAD CBD +BOND CBD CGD CGD O1D CGD O2D CHA C4D CHA C1A +DIHE NA C4A CHB C1B C4A CHB C1B NB NB C4B CHC C1C +DIHE C4B CHC C1C NC NC C4C CHD C1D C4C CHD C1D ND +DIHE ND C4D CHA C1A C4D CHA C1A NA C1A C2A CAA CBA +DIHE C2A CAA CBA CGA CAA CBA CGA O1A C2B C3B CAB CBB +DIHE C2C C3C CAC CBC C2D C3D CAD CBD C3D CAD CBD CGD +DIHE CAD CBD CGD O1D +IMPH FE C1A C4A NA FE C1B C4B NB FE C1C C4C NC +IMPH FE C1D C4D ND CHA NA C2A C1A CHB NA C3A C4A +IMPH CHB NB C2B C1B CHC NB C3B C4B CHC NC C2C C1C +IMPH CHD NC C3C C4C CHD ND C2D C1D CHA ND C3D C4D +IMPH C2A C1A C3A CAA C3A C2A C4A CMA C2B C1B C3B CMB +IMPH C3B C2B C4B CAB C2C C1C C3C CMC C3C C2C C4C CAC +IMPH C2D C1D C3D CMD C3D C2D C4D CAD CBA O1A O2A CGA +IMPH CBD O1D O2D CGD +ACCE NA +ACCE O1A CGA +ACCE O2A CGA +ACCE NB +ACCE NC +ACCE ND +ACCE O1D CGD +ACCE O2D CGD +PATC FIRS NONE LAST NONE + + + +RESI HEM 0.00000 +GROU +ATOM FE FE 1.66 +ATOM NA NP -0.25 +ATOM NB NP -0.25 +ATOM NC NP -0.25 +ATOM ND NP -0.25 +GROU +ATOM C1A C 0.06 +ATOM CHA CR1E 0.07 +ATOM C4D C 0.05 +GROU +ATOM C1B C 0.06 +ATOM CHB CR1E 0.07 +ATOM C4A C 0.05 +GROU +ATOM C1C C 0.06 +ATOM CHC CR1E 0.07 +ATOM C4B C 0.05 +GROU +ATOM C1D C 0.06 +ATOM CHD CR1E 0.07 +ATOM C4C C 0.05 +GROU +ATOM C2A C -0.01 +ATOM CAA CH2E 0.05 +GROU +ATOM C3A C 0.03 +ATOM CMA CH3E -0.03 +GROU +ATOM CBA CH2E -0.07 +ATOM CGA C 0.33 +ATOM O1A OC -0.47 +ATOM O2A OC -0.47 +GROU +ATOM C2B C 0.03 +ATOM CMB CH3E -0.03 +GROU +ATOM C3B C -0.02 +ATOM CAB CR1E 0.06 +ATOM CBB CH2E -0.07 +GROU +ATOM C2C C 0.03 +ATOM CMC CH3E -0.03 +GROU +ATOM C3C C -0.02 +ATOM CAC CR1E 0.06 +ATOM CBC CH2E -0.07 +GROU +ATOM C2D C 0.03 +ATOM CMD CH3E -0.03 +GROU +ATOM C3D C -0.03 +ATOM CAD CH2E 0.03 +GROU +ATOM CBD CH2E -0.07 +ATOM CGD C 0.33 +ATOM O1D OC -0.47 +ATOM O2D OC -0.47 +BOND FE NA FE NB FE NC FE ND NA C1A +BOND C1A C2A C2A C3A C3A C4A NA C4A C2A CAA +BOND CAA CBA CBA CGA CGA O1A CGA O2A C3A CMA +BOND CHB C4A CHB C1B NB C1B C1B C2B C2B C3B +BOND C3B C4B NB C4B C2B CMB C3B CAB CAB CBB +BOND CHC C4B CHC C1C NC C1C C1C C2C C2C C3C +BOND C3C C4C NC C4C C2C CMC C3C CAC CAC CBC +BOND CHD C4C CHD C1D ND C1D C1D C2D C2D C3D +BOND C3D C4D ND C4D C2D CMD C3D CAD CAD CBD +BOND CBD CGD CGD O1D CGD O2D CHA C4D CHA C1A +DIHE NA C4A CHB C1B C4A CHB C1B NB NB C4B CHC C1C +DIHE C4B CHC C1C NC NC C4C CHD C1D C4C CHD C1D ND +DIHE ND C4D CHA C1A C4D CHA C1A NA C1A C2A CAA CBA +DIHE C2A CAA CBA CGA CAA CBA CGA O1A C2B C3B CAB CBB +DIHE C2C C3C CAC CBC C2D C3D CAD CBD C3D CAD CBD CGD +DIHE CAD CBD CGD O1D +IMPH FE C1A C4A NA FE C1B C4B NB FE C1C C4C NC +IMPH FE C1D C4D ND CHA NA C2A C1A CHB NA C3A C4A +IMPH CHB NB C2B C1B CHC NB C3B C4B CHC NC C2C C1C +IMPH CHD NC C3C C4C CHD ND C2D C1D CHA ND C3D C4D +IMPH C2A C1A C3A CAA C3A C2A C4A CMA C2B C1B C3B CMB +IMPH C3B C2B C4B CAB C2C C1C C3C CMC C3C C2C C4C CAC +IMPH C2D C1D C3D CMD C3D C2D C4D CAD CBA O1A O2A CGA +IMPH CBD O1D O2D CGD +ACCE NA +ACCE O1A CGA +ACCE O2A CGA +ACCE NB +ACCE NC +ACCE ND +ACCE O1D CGD +ACCE O2D CGD +PATC FIRS NONE LAST NONE + + +RESI AMD 0.000 +GROUP +ATOM C1 CH1E 0.426653 +ATOM C2 CH2E -0.297766 +ATOM C3 CH1E 0.426653 +ATOM C4 CH2E -0.29776 +ATOM C5 CH1E 0.426653 +ATOM C6 CH2E -0.297766 +ATOM C7 CH2E -0.32135 +ATOM C8 CT 0.976703 +ATOM N1 NT -1.129448 +ATOM C9 CH2E -0.32135 +ATOM C10 CH2E -0.32135 +ATOM H12 H 0.365069 +ATOM H13 H 0.365069 + +BOND C1 C2 ! dist 1.5429 +BOND C1 C6 ! dist 1.5226 +BOND C1 C9 ! dist 1.5863 +BOND C2 C3 ! dist 1.5976 +BOND C3 C4 ! dist 1.5647 +BOND C3 C10 ! dist 1.5940 +BOND C4 C5 ! dist 1.5545 +BOND C5 C6 ! dist 1.5888 +BOND C5 C7 ! dist 1.6067 +BOND C7 C8 ! dist 1.5533 +BOND C8 N1 ! dist 1.5390 +BOND C8 C9 ! dist 1.5993 +BOND C8 C10 ! dist 1.5305 +BOND N1 H12 ! dist 1.1197 +BOND N1 H13 ! dist 1.1196 + +ANGL C1 C2 C3 ! angle 111.1112 +ANGL C1 C6 C5 ! angle 107.6620 +ANGL C1 C9 C8 ! angle 115.6590 +ANGL C2 C1 C6 ! angle 104.8547 +ANGL C2 C1 C9 ! angle 107.1044 +ANGL C2 C3 C4 ! angle 107.6548 +ANGL C2 C3 C10 ! angle 118.3317 +ANGL C3 C4 C5 ! angle 105.3411 +ANGL C3 C10 C8 ! angle 105.1404 +ANGL C4 C3 C10 ! angle 107.5762 +ANGL C4 C5 C6 ! angle 109.6014 +ANGL C4 C5 C7 ! angle 104.7225 +ANGL C5 C7 C8 ! angle 111.1617 +ANGL C6 C1 C9 ! angle 110.9050 +ANGL C6 C5 C7 ! angle 116.9895 +ANGL C7 C8 N1 ! angle 116.2277 +ANGL C7 C8 C9 ! angle 103.2819 +ANGL C7 C8 C10 ! angle 103.0871 +ANGL C8 N1 H12 ! angle 109.4641 +ANGL C8 N1 H13 ! angle 109.4802 +ANGL N1 C8 C9 ! angle 112.3829 +ANGL N1 C8 C10 ! angle 104.4884 +ANGL C9 C8 C10 ! angle 117.5128 +ANGL H12 N1 H13 ! angle 109.4383 + +DIHE C6 C1 C2 C3 ! dihe 64.4041 +DIHE C9 C1 C2 C3 ! dihe -53.4913 +DIHE C2 C1 C6 C5 ! dihe -64.6066 +DIHE C9 C1 C6 C5 ! dihe 50.6729 +DIHE C2 C1 C9 C8 ! dihe 51.6097 +DIHE C6 C1 C9 C8 ! dihe -62.2610 +DIHE C1 C2 C3 C4 ! dihe -63.4537 +DIHE C1 C2 C3 C10 ! dihe 58.6617 +DIHE C2 C3 C4 C5 ! dihe 60.0614 +DIHE C10 C3 C4 C5 ! dihe -68.4916 +DIHE C2 C3 C10 C8 ! dihe -50.3109 +DIHE C4 C3 C10 C8 ! dihe 71.8442 +DIHE C3 C4 C5 C6 ! dihe -63.8688 +DIHE C3 C4 C5 C7 ! dihe 62.4069 +DIHE C4 C5 C6 C1 ! dihe 68.1069 +DIHE C7 C5 C6 C1 ! dihe -50.8471 +DIHE C4 C5 C7 C8 ! dihe -65.4654 +DIHE C6 C5 C7 C8 ! dihe 56.0738 +DIHE C5 C7 C8 N1 ! dihe -178.6381 +DIHE C5 C7 C8 C9 ! dihe -55.1021 +DIHE C5 C7 C8 C10 ! dihe 67.7297 +DIHE C7 C8 N1 H12 ! dihe 169.3417 +DIHE C9 C8 N1 H12 ! dihe 50.6650 +DIHE C10 C8 N1 H12 ! dihe -77.8273 +DIHE C7 C8 N1 H13 ! dihe -70.6975 +DIHE C9 C8 N1 H13 ! dihe 170.6258 +DIHE C10 C8 N1 H13 ! dihe 42.1335 +DIHE C7 C8 C9 C1 ! dihe 61.6076 +DIHE N1 C8 C9 C1 ! dihe -172.3561 +DIHE C10 C8 C9 C1 ! dihe -51.0530 +DIHE C7 C8 C10 C3 ! dihe -67.6373 +DIHE N1 C8 C10 C3 ! dihe 170.4451 +DIHE C9 C8 C10 C3 ! dihe 45.1323 +END +END diff --git a/test/data/noe.json b/test/data/noe.json new file mode 100644 index 0000000..63a90d9 --- /dev/null +++ b/test/data/noe.json @@ -0,0 +1,35 @@ +{ + "weight": 1000, + "power": 0.1666, + "groups": [ + [0], + [1] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } + ], + "mask": [[0, 1]] +} \ No newline at end of file diff --git a/test/data/pairsprings.txt b/test/data/pairsprings.txt new file mode 100644 index 0000000..0be13b0 --- /dev/null +++ b/test/data/pairsprings.txt @@ -0,0 +1,2 @@ +1 +5.0 2.0 5.0 102 CA 3599 C1 diff --git a/test/data/pairsprings_invalid.txt b/test/data/pairsprings_invalid.txt new file mode 100644 index 0000000..294b899 --- /dev/null +++ b/test/data/pairsprings_invalid.txt @@ -0,0 +1,2 @@ +1 +5.0 2.0 5.0 102 CA C1 diff --git a/test/data/pointsprings.txt b/test/data/pointsprings.txt new file mode 100644 index 0000000..6ff31e4 --- /dev/null +++ b/test/data/pointsprings.txt @@ -0,0 +1,4 @@ +1 +1 8 27.292 1.371 23.364 +3599 C1 + diff --git a/test/data/pointsprings_xl.txt b/test/data/pointsprings_xl.txt new file mode 100644 index 0000000..c4d7ebc --- /dev/null +++ b/test/data/pointsprings_xl.txt @@ -0,0 +1,26 @@ +1 +24 8 30.381 5.877 14.905 +3599 C1 +3600 C2 +3601 C3 +3602 C4 +3603 C5 +3604 C6 +3605 C7 +3606 C8 +3607 O1 +3608 C9 +3609 C10 +3610 O2 +3611 N1 +3612 C11 +3613 C12 +3614 O3 +3615 N2 +3616 C13 +3617 C14 +3618 C15 +3619 C16 +3620 N3 +3621 C17 +3622 C18 diff --git a/test/data/pointsprings_xl_invalid.txt b/test/data/pointsprings_xl_invalid.txt new file mode 100644 index 0000000..a15e603 --- /dev/null +++ b/test/data/pointsprings_xl_invalid.txt @@ -0,0 +1,26 @@ +1 +24 8 30.381 5.877 +3599 C1 +3600 C2 +3601 C3 +3602 C4 +3603 C5 +3604 C6 +3605 C7 +3606 C8 +3607 O1 +3608 C9 +3609 C10 +3610 O2 +3611 N1 +3612 C11 +3613 C12 +3614 O3 +3615 N2 +3616 C13 +3617 C14 +3618 C15 +3619 C16 +3620 N3 +3621 C17 +3622 C18 diff --git a/test/data/setup_all.json b/test/data/setup_all.json new file mode 100644 index 0000000..468ef14 --- /dev/null +++ b/test/data/setup_all.json @@ -0,0 +1,84 @@ +[ + { + "nsteps": 1000, + "fix_receptor": true, + "vdw": false + }, + { + "nsteps": 500, + "fixed": [0,1,2,3,4,8,2000], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ], + "noe": { + "weight": 1000, + "power": 0.33333, + "groups": [ + [0], + [1] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } + ], + "mask": [[0, 1]] + } + }, + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 1, + 1, + 1 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } +] \ No newline at end of file diff --git a/test/data/setup_fixed_flag.json b/test/data/setup_fixed_flag.json new file mode 100644 index 0000000..83d4ee2 --- /dev/null +++ b/test/data/setup_fixed_flag.json @@ -0,0 +1,6 @@ +[ + { + "nsteps": 1000, + "fix_receptor": true + } +] \ No newline at end of file diff --git a/test/data/setup_fixed_json.json b/test/data/setup_fixed_json.json new file mode 100644 index 0000000..0bc27ce --- /dev/null +++ b/test/data/setup_fixed_json.json @@ -0,0 +1,14 @@ +[ + { + "nsteps": 500, + "fixed": [ + 0, + 1, + 2, + 3, + 4, + 8, + 2000 + ] + } +] \ No newline at end of file diff --git a/test/data/setup_noe.json b/test/data/setup_noe.json new file mode 100644 index 0000000..67fc2a3 --- /dev/null +++ b/test/data/setup_noe.json @@ -0,0 +1,40 @@ +[ + { + "nsteps": 500, + "noe": { + "weight": 1000, + "power": 0.1666, + "groups": [ + [0], + [1] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } + ], + "mask": [[0, 1]] + } + } +] \ No newline at end of file diff --git a/test/data/setup_noe_invalid.json b/test/data/setup_noe_invalid.json new file mode 100644 index 0000000..f2a0cab --- /dev/null +++ b/test/data/setup_noe_invalid.json @@ -0,0 +1,40 @@ +[ + { + "nsteps": 500, + "noe": { + "weight": 1000, + "power": 0.1666, + "groups": [ + [0], + [1] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 5, + "value": 0.840252 + } + ], + "mask": [[0, 1]] + } + } +] \ No newline at end of file diff --git a/test/data/setup_pairsprings.json b/test/data/setup_pairsprings.json new file mode 100644 index 0000000..0a94ab0 --- /dev/null +++ b/test/data/setup_pairsprings.json @@ -0,0 +1,14 @@ +[ + { + "nsteps": 1000, + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } +] \ No newline at end of file diff --git a/test/data/setup_pairsprings_invalid.json b/test/data/setup_pairsprings_invalid.json new file mode 100644 index 0000000..c6c57a0 --- /dev/null +++ b/test/data/setup_pairsprings_invalid.json @@ -0,0 +1,13 @@ +[ + { + "nsteps": 1000, + "pairsprings": [ + { + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } +] \ No newline at end of file diff --git a/test/data/setup_pointsprings.json b/test/data/setup_pointsprings.json new file mode 100644 index 0000000..cf7598a --- /dev/null +++ b/test/data/setup_pointsprings.json @@ -0,0 +1,22 @@ +[ + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10.0, + "coords": [ + 1.0, + 1.0, + 1.0 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ] + } +] \ No newline at end of file diff --git a/test/data/setup_pointsprings_invalid.json b/test/data/setup_pointsprings_invalid.json new file mode 100644 index 0000000..39aaeca --- /dev/null +++ b/test/data/setup_pointsprings_invalid.json @@ -0,0 +1,21 @@ +[ + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 1, + 1 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ] + } +] \ No newline at end of file diff --git a/test/test1.c b/test/test1.c deleted file mode 100644 index 1ae37ab..0000000 --- a/test/test1.c +++ /dev/null @@ -1,195 +0,0 @@ -#include -#include -#include -#include - -#include "parse_options.h" -#include "potentials.h" - - -const double tolerance_strict = 1e-9; - -#ifndef ck_assert_double_eq_tol -#define ck_assert_double_eq_tol(val, ref, tol) \ - ck_assert(fabs(((val))-((ref))) < (tol)) -#endif - -#ifndef ck_assert_double_eq_def -#define ck_assert_double_eq_def(val, ref) \ - ck_assert_double_eq_tol(val, ref, tolerance_strict) -#endif - - -START_TEST(test_check_getopt_success) -{ - bool error; - struct options opts; - - switch (_i) { - case 0: - opts = parse_args(3, (char *[]) {"sham", "sham", "-h"}, &error); - ck_assert(!error); - ck_assert(opts.help); - break; - case 1: - opts = parse_args(10, (char *[]) {"sham", "sham", - "--pdb", "test.pdb", - "--psf", "test.psf", - "--rtf", "test.rtf", - "--prm", "test.prm"}, &error); - ck_assert(!error); - ck_assert_str_eq(opts.pdb, "test.pdb"); - break; - case 2: - opts = parse_args(4, (char *[]) {"sham", "sham", - "--json", "test.json"}, &error); - ck_assert(!error); - ck_assert_str_eq(opts.json, "test.json"); - break; - case 3: - opts = parse_args(18, (char *[]) {"sham", "sham", - "--rec-pdb", "test.pdb", - "--rec-psf", "test.psf", - "--rec-rtf", "test.rtf", - "--rec-prm", "test.prm", - "--lig-pdb", "test.pdb", - "--lig-psf", "test.psf", - "--lig-rtf", "test.rtf", - "--lig-prm", "test.prm"}, &error); - ck_assert(!error); - ck_assert_str_eq(opts.rec_pdb, "test.pdb"); - ck_assert_str_eq(opts.lig_pdb, "test.pdb"); - ck_assert(opts.separate); - break; - case 4: - opts = parse_args(12, (char *[]) {"sham", "sham", - "--rec-pdb", "test.pdb", - "--rec-psf", "test.psf", - "--rec-rtf", "test.rtf", - "--rec-prm", "test.prm", - "--lig-json", "test.json"}, &error); - ck_assert(!error); - ck_assert_str_eq(opts.rec_pdb, "test.pdb"); - ck_assert_str_eq(opts.lig_json, "test.json"); - ck_assert(opts.separate); - break; - case 5: - opts = parse_args(12, (char *[]) {"sham", "sham", - "--rec-json", "test.json", - "--lig-pdb", "test.pdb", - "--lig-psf", "test.psf", - "--lig-rtf", "test.rtf", - "--lig-prm", "test.prm"}, &error); - ck_assert(!error); - ck_assert_str_eq(opts.rec_json, "test.json"); - ck_assert_str_eq(opts.lig_pdb, "test.pdb"); - ck_assert(opts.separate); - break; - case 6: - opts = parse_args(11, (char *[]) {"sham", "sham", - "--rec-json", "test.json", - "--lig-json", "test.json", - "--nsteps", "500", - "--pair-springs-txt", "test", - "--fix-receptor"}, &error); - ck_assert(!error); - ck_assert_str_eq(opts.rec_json, "test.json"); - ck_assert_str_eq(opts.lig_json, "test.json"); - ck_assert_int_eq(opts.nsteps, 500); - ck_assert_str_eq(opts.pair_springs_txt, "test"); - ck_assert(opts.fix_receptor); - ck_assert(!opts.fix_ligand); - break; - } -} -END_TEST - - -START_TEST(test_check_getopt_failure) -{ - bool error; - struct options opts; - - switch (_i) { - case 0: - opts = parse_args(3, (char *[]) {"sham", "sham", "-a"}, &error); - ck_assert(error); - break; - case 1: - opts = parse_args(8, (char *[]) {"sham", "sham", - "--pdb", "test.pdb", - "--rtf", "test.rtf", - "--prm", "test.prm"}, &error); - ck_assert(error); - break; - case 2: - opts = parse_args(6, (char *[]) {"sham", "sham", - "--json", "test.json", - "--rec-pdb", "test"}, &error); - ck_assert(error); - break; - case 3: - opts = parse_args(6, (char *[]) {"sham", "sham", - "--json", "test.json", - "--nsteps", "-1"}, &error); - ck_assert(error); - break; - case 4: - opts = parse_args(10, (char *[]) {"sham", "sham", - "--rec-pdb", "test.pdb", - "--rec-rtf", "test.rtf", - "--rec-prm", "test.prm", - "--lig-json", "test.json"}, &error); - ck_assert(error); - break; - case 5: - opts = parse_args(10, (char *[]) {"sham", "sham", - "--rec-json", "test.json", - "--lig-pdb", "test.pdb", - "--lig-psf", "test.psf", - "--lig-prm", "test.prm"}, &error); - ck_assert(error); - break; - case 6: - opts = parse_args(5, (char *[]) {"sham", "sham", - "--json", "test.json", - "--fix-receptor"}, &error); - ck_assert(error); - break; - } -} -END_TEST - - -void setup_real(void) -{ - -} - -void teardown_real(void) -{ - -} - -Suite *lists_suite(void) -{ - Suite *suite = suite_create("getopt"); - TCase *tcase_real = tcase_create("real"); - tcase_add_checked_fixture(tcase_real, setup_real, teardown_real); - tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 7); - tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 7); - suite_add_tcase(suite, tcase_real); - - return suite; -} - -int main(void) -{ - Suite *suite = lists_suite(); - SRunner *runner = srunner_create(suite); - srunner_run_all(runner, CK_ENV); - - int number_failed = srunner_ntests_failed(runner); - srunner_free(runner); - return number_failed; -} \ No newline at end of file diff --git a/test/test_all.c b/test/test_all.c new file mode 100644 index 0000000..7029009 --- /dev/null +++ b/test/test_all.c @@ -0,0 +1,618 @@ +#include +#include + +#include "parse_options.h" +#include "potentials.h" + + +// These functions are defined only in newer versions of check +#ifndef ck_assert_double_eq_tol +#define ck_assert_double_eq_tol(x, y, tol) do { \ + sprintf(msg, "Calculated: %lf, Reference: %lf, Tolerance %lf (line %i)\n", x, y, tol, __LINE__); \ + ck_assert_msg(fabs((x) - (y)) <= (tol), msg); \ + } while(0); +#endif + +#ifndef ck_assert_ptr_nonnull +#define ck_assert_ptr_nonnull(x) do { \ + sprintf(msg, "Pointer is NULL (line %i)\n", __LINE__); \ + ck_assert_msg((x) != NULL, msg); \ + } while(0); +#endif + +#ifndef ck_assert_ptr_null +#define ck_assert_ptr_null(x) do { \ + sprintf(msg, "Pointer is not NULL (line %i)\n", __LINE__); \ + ck_assert_msg((x) == NULL, msg); \ + } while(0); +#endif + + +static void _compare_arrays_int(const int* x, const int* y, const size_t len) +{ + for (size_t i = 0; i < len; i++) { + ck_assert_int_eq(x[i], y[i]); + } +} + +static void _compare_arrays_size_t(const size_t* x, const size_t* y, const size_t len) +{ + for (size_t i = 0; i < len; i++) { + ck_assert_int_eq((int)x[i], (int)y[i]); + } +} + +static void _compare_arrays_double(const double* x, const double* y, const size_t len, const double tol) +{ + for (size_t i = 0; i < len; i++) { + ck_assert_double_eq_tol(x[i], y[i], tol); + } +} + + +START_TEST(test_check_getopt_success) +{ + bool error; + struct options opts; + + switch (_i) { + case 0: + opts = parse_args(3, (char *[]) {"sham", "sham", "-h"}, &error); + ck_assert(!error); + ck_assert(opts.help); + break; + case 1: + opts = parse_args(10, (char *[]) {"sham", "sham", + "--pdb", "test.pdb", + "--psf", "test.psf", + "--rtf", "test.rtf", + "--prm", "test.prm"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.pdb, "test.pdb"); + break; + case 2: + opts = parse_args(4, (char *[]) {"sham", "sham", + "--json", "test.json"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.json, "test.json"); + break; + case 3: + opts = parse_args(18, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-psf", "test.psf", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-rtf", "test.rtf", + "--lig-prm", "test.prm"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_pdb, "test.pdb"); + ck_assert_str_eq(opts.lig_pdb, "test.pdb"); + ck_assert(opts.separate); + break; + case 4: + opts = parse_args(12, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-psf", "test.psf", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-json", "test.json"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_pdb, "test.pdb"); + ck_assert_str_eq(opts.lig_json, "test.json"); + ck_assert(opts.separate); + break; + case 5: + opts = parse_args(12, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-rtf", "test.rtf", + "--lig-prm", "test.prm"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_json, "test.json"); + ck_assert_str_eq(opts.lig_pdb, "test.pdb"); + ck_assert(opts.separate); + break; + case 6: + opts = parse_args(11, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-json", "test.json", + "--nsteps", "500", + "--pair-springs-txt", "test", + "--fix-receptor"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.rec_json, "test.json"); + ck_assert_str_eq(opts.lig_json, "test.json"); + ck_assert_int_eq(opts.nsteps, 500); + ck_assert_str_eq(opts.pair_springs_txt, "test"); + ck_assert(opts.fix_receptor); + ck_assert(!opts.fix_ligand); + break; + + default: + ck_assert(false); + } +} +END_TEST + + +START_TEST(test_check_getopt_failure) +{ + bool error; + struct options opts; + + switch (_i) { + case 0: + opts = parse_args(3, (char *[]) {"sham", "sham", "-a"}, &error); + ck_assert(error); + break; + case 1: + opts = parse_args(8, (char *[]) {"sham", "sham", + "--pdb", "test.pdb", + "--rtf", "test.rtf", + "--prm", "test.prm"}, &error); + ck_assert(error); + break; + case 2: + opts = parse_args(6, (char *[]) {"sham", "sham", + "--json", "test.json", + "--rec-pdb", "test"}, &error); + ck_assert(error); + break; + case 3: + opts = parse_args(6, (char *[]) {"sham", "sham", + "--json", "test.json", + "--nsteps", "-1"}, &error); + ck_assert(error); + break; + case 4: + opts = parse_args(10, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-json", "test.json"}, &error); + ck_assert(error); + break; + case 5: + opts = parse_args(10, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-prm", "test.prm"}, &error); + ck_assert(error); + break; + case 6: + opts = parse_args(5, (char *[]) {"sham", "sham", + "--json", "test.json", + "--fix-receptor"}, &error); + ck_assert(error); + break; + + default: + ck_assert(false); + } +} +END_TEST + + +START_TEST(test_mol_atom_group_list_from_options) +{ + struct options opts; + struct mol_atom_group_list *ag_list; + + switch (_i) { + case 0: + // Pass single pdb + opts = get_defaut_options(); + opts.pdb = "BACE_4_rec.pdb"; + opts.psf = "BACE_4_rec.psf"; + opts.prm = "BACE_4_rec_parm.prm"; + opts.rtf = "BACE_4_rec_pdbamino.rtf"; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_nonnull(ag_list); + ck_assert_int_eq(opts.rec_natoms, 0); + ck_assert_int_eq(opts.lig_natoms, 0); + ck_assert_int_eq(ag_list->members[0].natoms, 3598); + mol_atom_group_list_free(ag_list); + break; + + case 1: + // Pass merge rec and lig + opts = get_defaut_options(); + opts.rec_pdb = "BACE_4_rec.pdb"; + opts.rec_psf = "BACE_4_rec.psf"; + opts.rec_prm = "BACE_4_rec_parm.prm"; + opts.rec_rtf = "BACE_4_rec_pdbamino.rtf"; + opts.lig_json = "BACE_4_lig.json"; + opts.separate = true; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_nonnull(ag_list); + ck_assert_int_eq(opts.rec_natoms, 3598); + ck_assert_int_eq(opts.lig_natoms, 42); + ck_assert_int_eq(ag_list->members[0].natoms, 3598 + 42); + mol_atom_group_list_free(ag_list); + break; + + case 2: + // Pass single json + opts = get_defaut_options(); + opts.json = "BACE_4_lig.json"; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_nonnull(ag_list); + ck_assert_int_eq(opts.rec_natoms, 0); + ck_assert_int_eq(opts.lig_natoms, 0); + ck_assert_int_eq(ag_list->members[0].natoms, 42); + mol_atom_group_list_free(ag_list); + break; + + case 3: + // Fail trying to merge geometry from json and pdb with different atom numbers + opts = get_defaut_options(); + opts.pdb = "BACE_4_rec.pdb"; + opts.json = "BACE_4_lig.json"; + opts.separate = false; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_null(ag_list); + break; + + case 4: + // Fail with missing prm file + opts = get_defaut_options(); + opts.pdb = "BACE_4_rec.pdb"; + opts.psf = "BACE_4_rec.psf"; + opts.rtf = "BACE_4_rec_pdbamino.rtf"; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_null(ag_list); + break; + + case 5: + // Pass with missing prms and score_only flag set + opts = get_defaut_options(); + opts.pdb = "BACE_4_rec.pdb"; + opts.score_only = true; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_nonnull(ag_list); + break; + + case 6: + // Pass with two pdb models and json geometry + opts = get_defaut_options(); + opts.pdb = "BACE_4_lig_2models_close.pdb"; + opts.json = "BACE_4_lig.json"; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_nonnull(ag_list); + ck_assert_int_eq(ag_list->size, 2); + break; + + default: + ck_assert(false); + + /*case 6: + // Fail with wrong prm file (this produces segfault, because of buggy mol_atom_group_read_geometry) + opts = get_defaut_options(); + opts.pdb = "BACE_4_rec.pdb"; + opts.psf = "BACE_4_rec.pdb"; + opts.prm = "BACE_4_rec_parm.prm"; + opts.rtf = "BACE_4_rec_pdbamino.rtf"; + opts.separate = false; + + ag_list = mol_atom_group_list_from_options(&opts); + ck_assert_ptr_null(ag_list); + */ + } +} + + +START_TEST(test_energy_prm_from_flags) +{ + struct options opts; + struct energy_prm* prms; + size_t nstages; + + switch (_i) { + case 0: + // Pass fix rec + opts = get_defaut_options(); + opts.separate = true; + opts.fix_receptor = true; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + energy_prm_free(&prms, nstages); + break; + + case 1: + // Pass fix lig + opts = get_defaut_options(); + opts.separate = true; + opts.fix_ligand = true; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + energy_prm_free(&prms, nstages); + break; + + case 2: + // Fail fix lig and rec + opts = get_defaut_options(); + opts.separate = true; + opts.fix_ligand = true; + opts.fix_receptor = true; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + break; + + case 3: + // Pass with fix pdb + opts = get_defaut_options(); + opts.fixed_pdb = "BACE_4_rec.pdb"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms->fixed->natoms, 3598); + energy_prm_free(&prms, nstages); + break; + + case 4: + // Pass with pointsprings + opts = get_defaut_options(); + opts.point_springs_txt = "pointsprings_xl.txt"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms->sprst_points->nsprings, 1); + ck_assert_int_eq(prms->sprst_points->springs[0].naspr, 24); + ck_assert_double_eq_tol(prms->sprst_points->springs[0].fkspr, 8, 10e-3); + ck_assert_double_eq_tol(prms->sprst_points->springs[0].X0, 30.381, 10e-3); + ck_assert_double_eq_tol(prms->sprst_points->springs[0].Y0, 5.877, 10e-3); + ck_assert_double_eq_tol(prms->sprst_points->springs[0].Z0, 14.905, 10e-3); + + // Compare first 6 IDs + _compare_arrays_size_t( + prms->sprst_points->springs->laspr, + (size_t[]){3598, 3599, 3600, 3601, 3602, 3603}, + 6); + + energy_prm_free(&prms, nstages); + break; + + case 5: + // Fail with wrong pointsprings + opts = get_defaut_options(); + opts.point_springs_txt = "pointsprings_xl_invalid.txt"; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + break; + + case 6: + // Pass with pairsprings + opts = get_defaut_options(); + opts.pair_springs_txt = "pairsprings.txt"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms->sprst_pairs->nsprings, 1); + ck_assert_double_eq_tol(prms->sprst_pairs->springs->fkspr, 5.0, 10e-3); + ck_assert_double_eq_tol(prms->sprst_pairs->springs->erspr, 2.0, 10e-3); + ck_assert_double_eq_tol(prms->sprst_pairs->springs->lnspr, 5.0, 10e-3); + + _compare_arrays_size_t( + prms->sprst_pairs->springs->laspr, + (size_t[]){101, 3598}, + 2); + + energy_prm_free(&prms, nstages); + break; + + case 7: + // Fail with pairsprings + opts = get_defaut_options(); + opts.pair_springs_txt = "pairsprings_invalid.txt"; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + break; + + case 8: + // Pass with NOE + opts = get_defaut_options(); + opts.noe_json = "noe.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_double_eq_tol(prms->nmr->weight, 1000, 10e-3); + ck_assert_double_eq_tol(prms->nmr->power, 1. / 6., 10e-3); + ck_assert_int_eq(prms->nmr->spec->size, 2); + ck_assert_double_eq_tol(prms->nmr->spec->exp[1], -0.074589, 10e-3); + energy_prm_free(&prms, nstages); + break; + + default: + ck_assert(false); + } +} + + +START_TEST(test_energy_prm_from_json) +{ + struct options opts; + struct energy_prm* prms; + size_t nstages; + + switch (_i) { + case 0: + // Pass fix rec + opts = get_defaut_options(); + opts.separate = true; + opts.rec_natoms = 1000; + opts.setup_json = "setup_fixed_flag.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms->fixed->natoms, opts.rec_natoms); + energy_prm_free(&prms, nstages); + break; + + case 1: + // Fail fix rec + opts = get_defaut_options(); + opts.separate = false; + opts.setup_json = "setup_fixed_flag.json"; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + break; + + case 2: + // Pass fix rec + opts = get_defaut_options(); + opts.setup_json = "setup_fixed_json.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms->fixed->natoms, 7); + _compare_arrays_size_t((size_t[]){0,1,2,3,4,8,2000}, prms->fixed->atoms, 7); + energy_prm_free(&prms, nstages); + break; + + case 3: + // Pass pairsprings + opts = get_defaut_options(); + opts.setup_json = "setup_pairsprings.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + energy_prm_free(&prms, nstages); + break; + + case 4: + // Fail pairsprings + opts = get_defaut_options(); + opts.setup_json = "setup_pairsprings_invalid.json"; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + energy_prm_free(&prms, nstages); + break; + + case 5: + // Pass pointsprings + opts = get_defaut_options(); + opts.setup_json = "setup_pointsprings.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + energy_prm_free(&prms, nstages); + break; + + case 6: + // Fail pointsprings + opts = get_defaut_options(); + opts.setup_json = "setup_pointsprings_invalid.json"; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + energy_prm_free(&prms, nstages); + break; + + case 7: + // Pass noe + opts = get_defaut_options(); + opts.setup_json = "setup_noe.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms[0].nmr->spec->size, 2); + energy_prm_free(&prms, nstages); + break; + + case 8: + // Fail noe + opts = get_defaut_options(); + opts.setup_json = "setup_noe_invalid.json"; + + ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + energy_prm_free(&prms, nstages); + break; + + case 9: + // Pass generic setup + opts = get_defaut_options(); + opts.separate = true; + opts.setup_json = "setup_all.json"; + + ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(nstages, 3); + + // Check some pointers for different stages + ck_assert(!prms[0].vdw); + ck_assert(prms[1].vdw); + ck_assert(prms[2].vdw); + + ck_assert_ptr_nonnull(prms[0].fixed); + ck_assert_ptr_nonnull(prms[1].fixed); + ck_assert_ptr_null(prms[2].fixed); + + ck_assert_ptr_null(prms[0].nmr); + ck_assert_ptr_nonnull(prms[1].nmr); + ck_assert_ptr_null(prms[2].nmr); + + ck_assert_ptr_null(prms[0].sprst_pairs); + ck_assert_ptr_nonnull(prms[1].sprst_pairs); + ck_assert_ptr_nonnull(prms[2].sprst_pairs); + + // Check some random values from the setup to make sure it was parsed properly + ck_assert_double_eq_tol(prms[1].nmr->power, 1./3., 10e-3); + ck_assert_double_eq_tol(prms[1].nmr->weight, 1000, 10e-3); + ck_assert_ptr_nonnull(prms[1].nmr->spec); + ck_assert_int_eq(prms[1].nmr->spec->size, 2); + ck_assert_int_eq(prms[2].sprst_points->springs[0].laspr[3], 4); + ck_assert_int_eq(prms[1].sprst_pairs->springs[0].laspr[1], 5); + + energy_prm_free(&prms, nstages); + break; + + default: + ck_assert(false); + } +} + + +Suite *lists_suite(void) +{ + Suite *suite = suite_create("functionality"); + TCase *tcase_real = tcase_create("real"); + //tcase_add_checked_fixture(tcase_real, setup_real, teardown_real); + tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 7); + tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 7); + tcase_add_loop_test(tcase_real, test_mol_atom_group_list_from_options, 0, 7); + tcase_add_loop_test(tcase_real, test_energy_prm_from_flags, 0, 9); + tcase_add_loop_test(tcase_real, test_energy_prm_from_json, 0, 10); + suite_add_tcase(suite, tcase_real); + + return suite; +} + +int main(void) +{ + Suite *suite = lists_suite(); + SRunner *runner = srunner_create(suite); + srunner_run_all(runner, CK_ENV); + + int number_failed = srunner_ntests_failed(runner); + srunner_free(runner); + return number_failed; +} \ No newline at end of file From 7745fe790afb0153e775a8e06b7eff93852598e5 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Wed, 6 May 2020 00:44:00 -0400 Subject: [PATCH 06/31] Minor corrections --- CMakeLists.txt | 4 +++- src/minimize.c | 2 +- src/potentials.c | 34 +++++++++------------------------- test/test_all.c | 23 +++++++++++------------ 4 files changed, 24 insertions(+), 39 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 2a1c837..59e22a9 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -17,7 +17,9 @@ option(BUILD_TESTS "Build tests" ON) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") -#add_compile_options(-Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) +if(CMAKE_BUILD_TYPE STREQUAL "Debug") + add_compile_options(-Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) +endif() include(CMakePrintHelpers) diff --git a/src/minimize.c b/src/minimize.c index 6047ea6..877df31 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -152,7 +152,7 @@ static lbfgsfloatval_t energy_func( const double *restrict array, double *restrict gradient, const int array_size, - __attribute__((unused)) lbfgsfloatval_t step) { + __attribute__((unused)) const lbfgsfloatval_t step) { lbfgsfloatval_t total_energy = 0.0; lbfgsfloatval_t term_energy = 0.0; diff --git a/src/potentials.c b/src/potentials.c index 3d4e384..a94ddce 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -320,7 +320,6 @@ struct pairsprings_setup *pairsprings_setup_read_txt(char *path) { struct pairsprings_setup *sprst; sprst = calloc(1, sizeof(struct pairsprings_setup)); - int c; if (fscanf(fp, "%zu", &sprst->nsprings) != 1) { ERR_MSG("Wrong spring file format\n"); free(sprst); @@ -331,12 +330,12 @@ struct pairsprings_setup *pairsprings_setup_read_txt(char *path) { sprst->springs = calloc(sprst->nsprings, sizeof(struct pairspring)); struct pairspring *sprs = sprst->springs; - int id = 0; + size_t id = 0; char name1[8], name2[8]; - int aid1, aid2; + size_t aid1, aid2; while (id < sprst->nsprings) { - c = fscanf(fp, - "%lf %lf %lf %i %s %i %s", + size_t c = fscanf(fp, + "%lf %lf %lf %zu %s %zu %s", &sprs[id].lnspr, &sprs[id].erspr, &sprs[id].fkspr, @@ -453,7 +452,7 @@ struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { void pointsprings_setup_free(struct pointsprings_setup **sprst) { if (*sprst != NULL) { - for (int i = 0; i < (*sprst)->nsprings; i++) { + for (size_t i = 0; i < (*sprst)->nsprings; i++) { if ((*sprst)->springs[i].laspr != NULL) { free((*sprst)->springs[i].laspr); } @@ -474,7 +473,6 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { struct pointsprings_setup *sprst; sprst = calloc(1, sizeof(struct pointsprings_setup)); - int c; if (fscanf(fp, "%zu", &sprst->nsprings) != 1) { ERR_MSG("Wrong spring file format\n"); free(sprst); @@ -490,7 +488,7 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { double fkspr, X0, Y0, Z0; for (size_t id = 0; id < sprst->nsprings; id++) { - c = fscanf(fp, "%zu %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); + size_t c = fscanf(fp, "%zu %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); if (c != 5) { ERR_MSG("Wrong spring file format\n"); fclose(fp); @@ -505,7 +503,7 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { sprs[id].Z0 = Z0; sprs[id].laspr = calloc(naspr, sizeof(size_t)); - for (int i = 0; i < naspr; i++) { + for (size_t i = 0; i < naspr; i++) { c = fscanf(fp, "%zu %s", &aid, name); if (c != 2) { @@ -751,20 +749,6 @@ void energy_prm_free(struct energy_prm** prm, size_t nstages) } -static bool _get_bool_field(bool* result, json_t* root, char* field) -{ - json_t* val = json_object_get(root, field); - if (val) { - if (!json_is_boolean(val)) { - json_decref(val); - return false; - } - } - *result = json_boolean_value(val); - return true; -} - - bool energy_prm_read( struct energy_prm** result_energy_prm, size_t* result_nstages, @@ -1036,7 +1020,7 @@ bool energy_prm_read( void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een) { - int i, i1, i2, nat; + size_t i, i1, i2, nat; double xtot, ytot, ztot, fk; struct mol_vector3 g; @@ -1077,7 +1061,7 @@ void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* void pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group* ag, double *een) { - int i, i1, i2; + size_t i, i1, i2; double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; struct mol_vector3 g; diff --git a/test/test_all.c b/test/test_all.c index 7029009..10bb30c 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -28,12 +28,12 @@ #endif -static void _compare_arrays_int(const int* x, const int* y, const size_t len) +/*static void _compare_arrays_int(const int* x, const int* y, const size_t len) { for (size_t i = 0; i < len; i++) { ck_assert_int_eq(x[i], y[i]); } -} +}*/ static void _compare_arrays_size_t(const size_t* x, const size_t* y, const size_t len) { @@ -42,12 +42,12 @@ static void _compare_arrays_size_t(const size_t* x, const size_t* y, const size_ } } -static void _compare_arrays_double(const double* x, const double* y, const size_t len, const double tol) +/*static void _compare_arrays_double(const double* x, const double* y, const size_t len, const double tol) { for (size_t i = 0; i < len; i++) { ck_assert_double_eq_tol(x[i], y[i], tol); } -} +}*/ START_TEST(test_check_getopt_success) @@ -141,34 +141,33 @@ END_TEST START_TEST(test_check_getopt_failure) { bool error; - struct options opts; switch (_i) { case 0: - opts = parse_args(3, (char *[]) {"sham", "sham", "-a"}, &error); + parse_args(3, (char *[]) {"sham", "sham", "-a"}, &error); ck_assert(error); break; case 1: - opts = parse_args(8, (char *[]) {"sham", "sham", + parse_args(8, (char *[]) {"sham", "sham", "--pdb", "test.pdb", "--rtf", "test.rtf", "--prm", "test.prm"}, &error); ck_assert(error); break; case 2: - opts = parse_args(6, (char *[]) {"sham", "sham", + parse_args(6, (char *[]) {"sham", "sham", "--json", "test.json", "--rec-pdb", "test"}, &error); ck_assert(error); break; case 3: - opts = parse_args(6, (char *[]) {"sham", "sham", + parse_args(6, (char *[]) {"sham", "sham", "--json", "test.json", "--nsteps", "-1"}, &error); ck_assert(error); break; case 4: - opts = parse_args(10, (char *[]) {"sham", "sham", + parse_args(10, (char *[]) {"sham", "sham", "--rec-pdb", "test.pdb", "--rec-rtf", "test.rtf", "--rec-prm", "test.prm", @@ -176,7 +175,7 @@ START_TEST(test_check_getopt_failure) ck_assert(error); break; case 5: - opts = parse_args(10, (char *[]) {"sham", "sham", + parse_args(10, (char *[]) {"sham", "sham", "--rec-json", "test.json", "--lig-pdb", "test.pdb", "--lig-psf", "test.psf", @@ -184,7 +183,7 @@ START_TEST(test_check_getopt_failure) ck_assert(error); break; case 6: - opts = parse_args(5, (char *[]) {"sham", "sham", + parse_args(5, (char *[]) {"sham", "sham", "--json", "test.json", "--fix-receptor"}, &error); ck_assert(error); From 21cf822d77ad88f6265e45479a3c68c91154c985 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Wed, 6 May 2020 01:51:08 -0400 Subject: [PATCH 07/31] Solved fixed atoms bug and logging --- src/minimize.c | 26 +++++++++++++++----------- src/potentials.c | 8 +++++++- test/test_all.c | 12 ++++++++++++ 3 files changed, 34 insertions(+), 12 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index 877df31..4a041d0 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -42,6 +42,12 @@ int main(int argc, char **argv) { exit(EXIT_SUCCESS); } + struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); + if (!ag_list) { + ERR_MSG("Couldn't read atom groups"); + exit(EXIT_FAILURE); + } + struct energy_prm* min_prms; size_t nstages; if (!energy_prm_read(&min_prms, &nstages, parsed)) { @@ -49,12 +55,6 @@ int main(int argc, char **argv) { exit(EXIT_FAILURE); } - struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); - if (!ag_list) { - ERR_MSG("Couldn't read atom groups"); - exit(EXIT_FAILURE); - } - INFO_MSG("Started the main loop\n"); FILE* out_pdb; @@ -73,14 +73,16 @@ int main(int argc, char **argv) { fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); } - json_t* json_log_model = json_object(); + json_t* json_log_model = json_array(); struct mol_atom_group *ag = &ag_list->members[modeli]; ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); for (size_t stage_id = 0; stage_id < nstages; stage_id++) { - struct energy_prm *stage_prms = min_prms + stage_id; + INFO_MSG("Stage %zu\n", stage_id); + json_t* json_log_stage = json_object(); + struct energy_prm *stage_prms = &min_prms[stage_id]; stage_prms->ag = ag; struct agsetup ag_setup; @@ -118,15 +120,17 @@ int main(int argc, char **argv) { //} // Record energy every time it was evaluated - json_object_set_new(json_log_model, "steps", stage_prms->json_log); + json_object_set_new(json_log_stage, "steps", stage_prms->json_log); stage_prms->json_log = NULL; // Record final energy energy_func((void *) stage_prms, NULL, NULL, 0, 0); json_t* final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); - json_object_set_new(json_log_model, "final", final_energy); + json_object_set_new(json_log_stage, "final", final_energy); json_decref(stage_prms->json_log); stage_prms->json_log = NULL; + + json_array_append_new(json_log_model, json_log_stage); } mol_fwrite_pdb(out_pdb, ag); @@ -155,7 +159,7 @@ static lbfgsfloatval_t energy_func( __attribute__((unused)) const lbfgsfloatval_t step) { lbfgsfloatval_t total_energy = 0.0; - lbfgsfloatval_t term_energy = 0.0; + lbfgsfloatval_t term_energy; struct energy_prm *energy_prm = (struct energy_prm *) prm; if (energy_prm->json_log == NULL) { diff --git a/src/potentials.c b/src/potentials.c index a94ddce..36ccd38 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -305,7 +305,7 @@ struct fixed_setup* fixed_setup_atom_range(size_t start_atom, size_t end_atom) fixed->natoms = end_atom - start_atom; fixed->atoms = calloc(fixed->natoms, sizeof(size_t)); for (size_t i = 0; i < fixed->natoms; i++) { - fixed->atoms[i] = start_atom; + fixed->atoms[i] = start_atom + i; } return fixed; } @@ -791,6 +791,12 @@ bool energy_prm_read( return false; } + if (prms.rec_natoms == 0 && prms.lig_natoms == 0 && prms.separate) { + ERR_MSG("Natoms can't be zero in separate mode, populate them first"); + energy_prm_free(&all_stage_prms, nstages); + return false; + } + if (prms.fixed_pdb) { all_stage_prms->fixed = fixed_setup_read_txt(prms.fixed_pdb); if (!all_stage_prms->fixed) { diff --git a/test/test_all.c b/test/test_all.c index 10bb30c..2748c9f 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -322,10 +322,15 @@ START_TEST(test_energy_prm_from_flags) // Pass fix rec opts = get_defaut_options(); opts.separate = true; + opts.rec_natoms = 1000; + opts.lig_natoms = 100; opts.fix_receptor = true; ck_assert(energy_prm_read(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms[0].fixed->natoms, 1000); + _compare_arrays_size_t(prms[0].fixed->atoms, (size_t[]){0, 1, 2, 3, 4}, 5); + energy_prm_free(&prms, nstages); break; @@ -333,10 +338,15 @@ START_TEST(test_energy_prm_from_flags) // Pass fix lig opts = get_defaut_options(); opts.separate = true; + opts.rec_natoms = 1000; + opts.lig_natoms = 100; opts.fix_ligand = true; ck_assert(energy_prm_read(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms[0].fixed->natoms, 100); + _compare_arrays_size_t(prms[0].fixed->atoms, (size_t[]){1000, 1001, 1002, 1003, 1004}, 5); + energy_prm_free(&prms, nstages); break; @@ -344,6 +354,8 @@ START_TEST(test_energy_prm_from_flags) // Fail fix lig and rec opts = get_defaut_options(); opts.separate = true; + opts.rec_natoms = 1000; + opts.lig_natoms = 100; opts.fix_ligand = true; opts.fix_receptor = true; From c473ed845708f837c79be89a5418d7c4ca473411 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Fri, 8 May 2020 18:18:44 -0400 Subject: [PATCH 08/31] Verbosity and print flags are added --- CMakeLists.txt | 3 +- src/minimize.c | 37 +++-- src/parse_options.c | 144 +++++++++++++++++- src/parse_options.h | 12 +- src/potentials.c | 157 ++++++++++---------- src/potentials.h | 18 ++- src/utils.c | 16 ++ src/utils.h | 68 ++++++++- test/data/setup_all.json | 173 ++++++++++++---------- test/data/setup_fixed_flag.json | 14 +- test/data/setup_fixed_json.json | 30 ++-- test/data/setup_global.json | 9 ++ test/data/setup_global_unknown_args.json | 9 ++ test/data/setup_noe.json | 89 ++++++----- test/data/setup_noe_invalid.json | 89 ++++++----- test/data/setup_pairsprings.json | 30 ++-- test/data/setup_pairsprings_invalid.json | 28 ++-- test/data/setup_pointsprings.json | 46 +++--- test/data/setup_pointsprings_invalid.json | 44 +++--- test/test_all.c | 30 ++-- 20 files changed, 676 insertions(+), 370 deletions(-) create mode 100644 src/utils.c create mode 100644 test/data/setup_global.json create mode 100644 test/data/setup_global_unknown_args.json diff --git a/CMakeLists.txt b/CMakeLists.txt index 59e22a9..2069d3f 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -45,7 +45,8 @@ set(INCLUDE_LIST set(SRC_LIST ${PROJECT_SOURCE_DIR}/src/potentials.c - ${PROJECT_SOURCE_DIR}/src/parse_options.c) + ${PROJECT_SOURCE_DIR}/src/parse_options.c + ${PROJECT_SOURCE_DIR}/src/utils.c) add_executable(minimize ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) diff --git a/src/minimize.c b/src/minimize.c index 4a041d0..c28cd85 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -30,21 +30,26 @@ static lbfgsfloatval_t energy_func( int main(int argc, char **argv) { + VERBOSITY = DEBUG; + mol_enable_floating_point_exceptions(); bool parse_error; struct options parsed = parse_args(argc, argv, &parse_error); if (parse_error) { ERR_MSG("Parse error"); + free_options(parsed); exit(EXIT_FAILURE); } if (parsed.help) { + free_options(parsed); exit(EXIT_SUCCESS); } struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); if (!ag_list) { ERR_MSG("Couldn't read atom groups"); + free_options(parsed); exit(EXIT_FAILURE); } @@ -52,6 +57,8 @@ int main(int argc, char **argv) { size_t nstages; if (!energy_prm_read(&min_prms, &nstages, parsed)) { ERR_MSG("Couldn't fill params"); + free_options(parsed); + mol_atom_group_list_free(ag_list); exit(EXIT_FAILURE); } @@ -60,7 +67,9 @@ int main(int argc, char **argv) { FILE* out_pdb; FOPEN_ELSE(out_pdb, parsed.out_pdb, "w") { ERR_MSG("Can't open %s", parsed.out_pdb); + free_options(parsed); mol_atom_group_list_free(ag_list); + energy_prm_free(&min_prms, nstages); exit(EXIT_FAILURE); } @@ -114,21 +123,20 @@ int main(int argc, char **argv) { mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); - //free_agsetup(stage_prms->ag_setup); - //if (stage_prms->ace_setup) { - // free_acesetup(stage_prms->ace_setup); - //} - // Record energy every time it was evaluated - json_object_set_new(json_log_stage, "steps", stage_prms->json_log); - stage_prms->json_log = NULL; + if (stage_prms->json_log_setup.print_step) { + json_object_set_new(json_log_stage, "steps", stage_prms->json_log); + stage_prms->json_log = NULL; + } // Record final energy - energy_func((void *) stage_prms, NULL, NULL, 0, 0); - json_t* final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); - json_object_set_new(json_log_stage, "final", final_energy); - json_decref(stage_prms->json_log); - stage_prms->json_log = NULL; + if (stage_prms->json_log_setup.print_stage) { + energy_func((void *) stage_prms, NULL, NULL, 0, 0); + json_t *final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); + json_object_set_new(json_log_stage, "final", final_energy); + json_decref(stage_prms->json_log); + stage_prms->json_log = NULL; + } json_array_append_new(json_log_model, json_log_stage); } @@ -262,7 +270,10 @@ static lbfgsfloatval_t energy_func( total_energy += term_energy; json_object_set_new(energy_dict, "noe", json_real(term_energy)); - json_object_set_new(energy_dict, "noe_details", mol_noe_to_json_object(energy_prm->nmr->spec)); + + if (energy_prm->json_log_setup.print_noe_matrix) { + json_object_set_new(energy_dict, "noe_details", mol_noe_to_json_object(energy_prm->nmr->spec)); + } } if (energy_prm->fit_prms != NULL) { diff --git a/src/parse_options.c b/src/parse_options.c index c882b26..6a6b58b 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -6,6 +6,20 @@ #include "utils.h" +#define _STRINGIZE_AND_REPLACE_UNDERSCORE(arg, sep, dst) do { \ + char str_arg[] = #arg; \ + char* dot_pos; \ + if ((dot_pos = strchr(str_arg, (sep))) != NULL) { \ + dot_pos = dot_pos + 1; \ + } \ + char* dash_pos = dot_pos; \ + while ((dash_pos = strchr(dash_pos, '_')) != NULL) { \ + *dash_pos = '-'; \ + }; \ + dst = dot_pos; \ +} while (0) + + #define _FILL_PARAM(arg, value) do { \ char str_arg[] = #arg; \ char* dot_pos; \ @@ -29,6 +43,10 @@ struct options get_defaut_options() .out_pdb = "out.pdb", .out_json = "out.json", + .print_step = false, + .print_stage = true, + .print_noe_matrix = true, + .separate = false, .rec_natoms = 0, .lig_natoms = 0, @@ -62,6 +80,7 @@ struct options get_defaut_options() .density_json = NULL, .setup_json = NULL, + .setup_json_root = NULL, .nsteps = 1000, @@ -73,7 +92,7 @@ struct options get_defaut_options() .vdw03 = 1, .gbsa = 0, - .verbose = 0, + .verbosity = DEBUG, .fix_receptor = 0, .fix_ligand = 0, .score_only = 0, @@ -84,12 +103,122 @@ struct options get_defaut_options() } +void free_options(struct options opts) +{ + if (opts.setup_json_root) { + json_decref(opts.setup_json_root); + } +} + + +static bool _fill_prms_from_json(struct options* prms, json_t* root) +{ + if (!json_is_object(root)) { + return false; + } + + json_t* opts = json_object_get(root, "options"); + if (!opts) { + return true; + } + + if (!json_is_object(opts)) { + ERR_MSG("Key 'options' must point to a dictionary"); + json_decref(opts); + return false; + } + + json_error_t error; + + int code = json_unpack_ex( + opts, &error, JSON_STRICT, + + "{s?i, s?i " + " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b " + " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s " + " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s}", + + // integer options + "nsteps", &prms->nsteps, + "verbosity", &prms->verbosity, + + // binary options + "bonds", &prms->bonds, + "angles", &prms->angles, + "dihedrals", &prms->dihedrals, + "impropers", &prms->impropers, + "vdw", &prms->vdw, + "vdw03", &prms->vdw03, + "gbsa", &prms->gbsa, + "fix-receptor", &prms->fix_receptor, + "fix-ligand", &prms->fix_ligand, + "score-only", &prms->score_only, + "print-step", &prms->print_step, + "print-stage", &prms->print_stage, + "print-noe-matrix", &prms->print_noe_matrix, + + // char options + "out-pdb", &prms->out_pdb, + "out-json", &prms->out_json, + "psf", &prms->psf, + "prm", &prms->prm, + "rtf", &prms->rtf, + "pdb", &prms->pdb, + "json", &prms->json, + "rec-psf", &prms->rec_psf, + "rec-prm", &prms->rec_prm, + "rec-rtf", &prms->rec_rtf, + "rec-pdb", &prms->rec_pdb, + "rec-json", &prms->rec_json, + "lig-psf", &prms->lig_psf, + "lig-prm", &prms->lig_prm, + "lig-rtf", &prms->lig_rtf, + "lig-pdb", &prms->lig_pdb, + "lig-json", &prms->lig_json, + "fixed-pdb", &prms->fixed_pdb, + "pair-springs-txt", &prms->pair_springs_txt, + "point-springs-txt", &prms->point_springs_txt, + "noe-txt", &prms->noe_txt, + "noe-json", &prms->noe_json, + "density-json", &prms->density_json + ); + + if (code != 0) { + JSON_ERR_MSG(error, "Couldn't parse setup from json"); + json_decref(opts); + return false; + } + + return true; +} + + static int _check_prms(struct options *prms) { bool full = false; bool rec_sep = false; bool lig_sep = false; + VERBOSITY = prms->verbosity; + + // Unpack setup json first and fill the global options if there are any + if (prms->setup_json) { + json_t* setup = read_json_file(prms->setup_json); + if (!setup) { + return 1; + } + + if (!_fill_prms_from_json(prms, setup)) { + json_decref(setup); + ERR_MSG("Couldn't parse options"); + return 1; + } + //json_decref(setup); + prms->setup_json_root = setup; + } + + VERBOSITY = prms->verbosity; + if (prms->json || prms->pdb || prms->psf || prms->prm || prms->rtf) { full = true; prms->separate = false; @@ -157,6 +286,10 @@ struct options parse_args(const int argc, char *const *argv, bool *error) {"out-pdb", required_argument, 0, 0}, {"out-json", required_argument, 0, 0}, + {"print-step", no_argument, &prms.print_step, 1}, + {"print-stage", no_argument, &prms.print_stage, 1}, + {"print-noe-matrix", no_argument, &prms.print_noe_matrix, 1}, + {"psf", required_argument, 0, 0}, {"prm", required_argument, 0, 0}, {"rtf", required_argument, 0, 0}, @@ -206,7 +339,7 @@ struct options parse_args(const int argc, char *const *argv, bool *error) {"fix-receptor", no_argument, &prms.fix_receptor, 1}, {"fix-ligand", no_argument, &prms.fix_ligand, 1}, {"score-only", no_argument, &prms.score_only, 1}, - {"verbose", no_argument, &prms.verbose, 1}, + {"verbosity", no_argument, &prms.verbosity, 1}, {"help", no_argument, 0, 'h'}, {0, 0, 0, 0} @@ -225,10 +358,7 @@ struct options parse_args(const int argc, char *const *argv, bool *error) case 0: if (long_options[option_index].flag != 0) break; - printf("Option %s", long_options[option_index].name); - if (optarg) - printf(" = %s", optarg); - printf("\n"); + INFO_MSG("Option %s = %s", long_options[option_index].name, optarg); break; case 'h': @@ -290,7 +420,7 @@ struct options parse_args(const int argc, char *const *argv, bool *error) void usage_message(char *const *argv) { - printf("Usage msg\n"); + fprintf(stderr, "Usage msg\n"); return; printf("\nUsage %s [ options ]\n\n", argv[0]); diff --git a/src/parse_options.h b/src/parse_options.h index 015f544..5bf9223 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -7,12 +7,17 @@ #include #include +#include struct options { char* out_pdb; char* out_json; + int print_step; + int print_stage; + int print_noe_matrix; + bool separate; size_t rec_natoms; size_t lig_natoms; @@ -46,6 +51,7 @@ struct options { char* density_json; char* setup_json; + json_t* setup_json_root; int nsteps; @@ -57,10 +63,12 @@ struct options { int vdw03; int gbsa; - int verbose; int fix_receptor; int fix_ligand; int score_only; + + int verbosity; + int help; }; @@ -69,6 +77,8 @@ struct options get_defaut_options(void); struct options parse_args(const int argc, char *const *argv, bool *error); +void free_options(struct options prms); + void usage_message(char *const *argv); diff --git a/src/potentials.c b/src/potentials.c index 36ccd38..5ec62c2 100644 --- a/src/potentials.c +++ b/src/potentials.c @@ -6,29 +6,15 @@ #include "mol2/icharmm.h" -#define READ_WORD(f, word, line) do { \ - (word) = NULL; \ - while (fgets(line, 512, f) != NULL) { \ - if ((line)[0] != '#') { \ - (word) = strtok((line), " \t\n"); \ - if ((word) == NULL || (word)[0] == '#') { \ - ERR_MSG("Line cannot be empty\n"); \ - } \ - break; \ - } \ - } \ -} while(0) - - static struct mol_atom_group_list *_read_ag_list( - char *prm, - char *rtf, - char *pdb, - char *psf, - char *json, - int score_only) { - - INFO_MSG("Started reading a new atom group\n"); + const char *prm, + const char *rtf, + const char *pdb, + const char *psf, + const char *json, + const int score_only) { + + DEBUG_MSG("Started reading a new atom group\n"); struct mol_atom_group_list* ag_list = NULL; struct mol_atom_group* ag_json = NULL; @@ -45,13 +31,13 @@ static struct mol_atom_group_list *_read_ag_list( // Read molecule from pdb if (pdb != NULL) { - INFO_MSG("Reading %s\n", pdb); - INFO_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); + DEBUG_MSG("Reading %s\n", pdb); + DEBUG_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); ag_list = mol_read_pdb_models(pdb); // If not multimodel, try to read as a single model if (ag_list == NULL) { - INFO_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file\n", pdb); + DEBUG_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file\n", pdb); struct mol_atom_group* ag_single = mol_read_pdb(pdb); // If both single and multi-model failed - give up @@ -68,7 +54,7 @@ static struct mol_atom_group_list *_read_ag_list( // If json was provied too then merge geometry from json and coords from pdb if (ag_json != NULL) { - INFO_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); + DEBUG_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); @@ -78,7 +64,7 @@ static struct mol_atom_group_list *_read_ag_list( free(tmp_copy); // Do I need this? if (fin_aglist->members[i].natoms != ag_list->members[i].natoms) { - ERR_MSG("Model %i in %s and %s have different atom numbers (%i, %i)", + DEBUG_MSG("Model %i in %s and %s have different atom numbers (%i, %i)", (int) i, pdb, json, (int) ag_list->members[i].natoms, (int) fin_aglist->members[i].natoms); @@ -98,7 +84,7 @@ static struct mol_atom_group_list *_read_ag_list( } else if (psf && prm && rtf) { // If json wasn't provided read geometry from prm rtf psf - INFO_MSG("Reading geometry from %s\n", psf); + DEBUG_MSG("Reading geometry from %s\n", psf); for (size_t i = 0; i < ag_list->size; i++) { if (!mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf)) { ERR_MSG("Couldn't fill geometry from psf rtf and prm"); @@ -118,7 +104,7 @@ static struct mol_atom_group_list *_read_ag_list( } } else if (ag_json != NULL) { - INFO_MSG("Using geometry and coordinates from %s\n", json); + DEBUG_MSG("Using geometry and coordinates from %s\n", json); ag_list = mol_atom_group_list_create(1); ag_list->members[0] = *ag_json; free(ag_json); @@ -132,7 +118,7 @@ static struct mol_atom_group_list *_read_ag_list( } -static struct mol_atom_group_list* _merge_ag_lists(struct mol_atom_group_list* ag1, struct mol_atom_group_list* ag2) { +static struct mol_atom_group_list* _merge_ag_lists(const struct mol_atom_group_list* ag1, const struct mol_atom_group_list* ag2) { if (ag1->size != ag2->size) { ERR_MSG("Receptor and ligand have different numbers of models (%i, %i)", (int)ag1->size, (int)ag2->size); return NULL; @@ -202,19 +188,6 @@ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prm } -static json_t* _read_json_file(char *path) -{ - json_error_t error; - json_t* root = json_load_file(path, 0, &error); - if (root == NULL) { - ERR_MSG("Can't load file %s", path); - return NULL; - } - return root; -} - - - void fixed_setup_free(struct fixed_setup** fixed) { if (*fixed != NULL) { @@ -227,7 +200,7 @@ void fixed_setup_free(struct fixed_setup** fixed) } -struct fixed_setup* fixed_setup_read_txt(char *file) { +struct fixed_setup* fixed_setup_read_txt(const char *file) { FILE* fp; FOPEN_ELSE(fp, file, "r") { return NULL; @@ -264,7 +237,7 @@ struct fixed_setup* fixed_setup_read_txt(char *file) { } -struct fixed_setup* fixed_setup_read_json(json_t* root) +struct fixed_setup* fixed_setup_read_json(const json_t* root) { if (!json_is_array(root)) { ERR_MSG("Must be array"); @@ -299,7 +272,7 @@ void pairsprings_setup_free(struct pairsprings_setup **sprst) { } -struct fixed_setup* fixed_setup_atom_range(size_t start_atom, size_t end_atom) +struct fixed_setup* fixed_setup_atom_range(const size_t start_atom, const size_t end_atom) { struct fixed_setup* fixed = calloc(1, sizeof(struct fixed_setup)); fixed->natoms = end_atom - start_atom; @@ -311,7 +284,7 @@ struct fixed_setup* fixed_setup_atom_range(size_t start_atom, size_t end_atom) } -struct pairsprings_setup *pairsprings_setup_read_txt(char *path) { +struct pairsprings_setup *pairsprings_setup_read_txt(const char *path) { FILE *fp; FOPEN_ELSE(fp, path, "r") { return NULL; @@ -363,7 +336,7 @@ struct pairsprings_setup *pairsprings_setup_read_txt(char *path) { } -struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { +struct pairsprings_setup *pairsprings_setup_read_json(const json_t* root) { if (!json_is_array(root)) { ERR_MSG("Pairsprings must be an array"); return NULL; @@ -377,8 +350,10 @@ struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { json_t* spring; json_array_foreach(root, counter, spring) { - int result = json_unpack( - spring, + json_error_t j_error; + + int result = json_unpack_ex( + spring, &j_error, 0, "{s:F, s:F, s:F, s:i, s:i}", "length", &spring_set[counter].lnspr, "error", &spring_set[counter].erspr, @@ -387,7 +362,7 @@ struct pairsprings_setup *pairsprings_setup_read_json(json_t* root) { "atom2", &spring_set[counter].laspr[1]); if (result != 0) { - ERR_MSG("Wrong pairspring format"); + JSON_ERR_MSG(j_error, "Wrong pairspring format"); error = true; break; } @@ -464,7 +439,7 @@ void pointsprings_setup_free(struct pointsprings_setup **sprst) { } -struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { +struct pointsprings_setup *pointsprings_setup_read_txt(const char *path) { FILE *fp; FOPEN_ELSE(fp, path, "r") { return NULL; @@ -522,7 +497,7 @@ struct pointsprings_setup *pointsprings_setup_read_txt(char *path) { } -struct pointsprings_setup *pointsprings_setup_read_json(json_t* root) +struct pointsprings_setup *pointsprings_setup_read_json(const json_t* root) { if (!json_is_array(root)) { ERR_MSG("Pointsprings must be an array"); @@ -537,13 +512,14 @@ struct pointsprings_setup *pointsprings_setup_read_json(json_t* root) json_array_foreach(root, spring_counter, spring) { struct pointspring* cur_spring = &sprs[spring_counter]; - int code = json_unpack( - spring, + json_error_t j_error; + int code = json_unpack_ex( + spring, &j_error, 0, "{s:F, s:[F,F,F]}", "weight", &cur_spring->fkspr, "coords", &cur_spring->X0, &cur_spring->Y0, &cur_spring->Z0); if (code != 0) { - ERR_MSG("Spring"); + JSON_ERR_MSG(j_error, "Spring"); free(sprs); return NULL; } @@ -635,7 +611,21 @@ void noe_setup_free(struct noe_setup **nmr) { } -struct noe_setup *noe_setup_read_txt(char *sfile) { +#define READ_WORD(f, word, line) do { \ + (word) = NULL; \ + while (fgets(line, 512, f) != NULL) { \ + if ((line)[0] != '#') { \ + (word) = strtok((line), " \t\n"); \ + if ((word) == NULL || (word)[0] == '#') { \ + ERR_MSG("Line cannot be empty\n"); \ + } \ + break; \ + } \ + } \ +} while(0) + + +struct noe_setup *noe_setup_read_txt(const char *sfile) { char line[512]; FILE *f; if (!(f = fopen(sfile, "r"))) { @@ -706,9 +696,10 @@ struct noe_setup *noe_setup_read_json(json_t* root) { mol_noe_alloc_grad(noe); - int code = json_unpack(root, "{s:F, s:F}", "weight", &result->weight, "power", &result->power); + json_error_t j_error; + int code = json_unpack_ex(root, &j_error, 0, "{s:F, s:F}", "weight", &result->weight, "power", &result->power); if (code != 0) { - ERR_MSG("Couldn't parse NOE weight and power"); + JSON_ERR_MSG(j_error, "Couldn't parse NOE setup"); noe_setup_free(&result); return NULL; } @@ -717,8 +708,8 @@ struct noe_setup *noe_setup_read_json(json_t* root) { } -struct noe_setup *noe_setup_read_json_file(char* file) { - json_t* root = _read_json_file(file); +struct noe_setup *noe_setup_read_json_file(const char* file) { + json_t* root = read_json_file(file); if (!root) { return NULL; } @@ -733,7 +724,7 @@ struct noe_setup *noe_setup_read_json_file(char* file) { } -void energy_prm_free(struct energy_prm** prm, size_t nstages) +void energy_prm_free(struct energy_prm** prm, const size_t nstages) { if (*prm != NULL) { for (size_t i = 0; i < nstages; i++) { @@ -750,9 +741,9 @@ void energy_prm_free(struct energy_prm** prm, size_t nstages) bool energy_prm_read( - struct energy_prm** result_energy_prm, - size_t* result_nstages, - struct options prms) + struct energy_prm **result_energy_prm, + size_t *result_nstages, + const struct options prms) { struct energy_prm* all_stage_prms = calloc(1, sizeof(struct energy_prm)); size_t nstages = 1; @@ -782,7 +773,11 @@ bool energy_prm_read( all_stage_prms->gbsa = prms.gbsa; all_stage_prms->score_only = prms.score_only; - all_stage_prms->verbose = prms.verbose; + all_stage_prms->verbose = prms.verbosity; + + all_stage_prms->json_log_setup.print_step = prms.print_step; + all_stage_prms->json_log_setup.print_stage = prms.print_stage; + all_stage_prms->json_log_setup.print_noe_matrix = prms.print_noe_matrix; // setup default fixed if ((int)(prms.fixed_pdb != NULL) + (int)(prms.fix_receptor) + (int)(prms.fix_ligand) > 1) { @@ -878,22 +873,25 @@ bool energy_prm_read( }*/ // read json - if (prms.setup_json) { - json_t* setup = _read_json_file(prms.setup_json); + json_t* setup = NULL; - if (!setup) { - ERR_MSG("sd"); + if (prms.setup_json) { + json_t *setup_root = read_json_file(prms.setup_json); + if (!setup_root) { energy_prm_free(&all_stage_prms, nstages); return false; } - if (!json_is_array(setup)) { - ERR_MSG("sd"); + setup = json_object_get(setup_root, "stages"); + if (setup && !json_is_array(setup)) { + ERR_MSG("Key 'stages' must point to a dictionary"); json_decref(setup); energy_prm_free(&all_stage_prms, nstages); return false; } + } + if (setup) { nstages = json_array_size(setup); // copy default params to each stage @@ -916,8 +914,9 @@ bool energy_prm_read( bool stage_fix_rec = false; bool stage_fix_lig = false; - int unpack_result = json_unpack( - stage_desc, + json_error_t j_error; + int code = json_unpack_ex( + stage_desc, &j_error, 0, "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", "bonds", &stage_prms->bonds, "angles", &stage_prms->angles, @@ -929,11 +928,11 @@ bool energy_prm_read( "fix_receptor", &stage_fix_rec, "fix_ligand", &stage_fix_lig, "score_only", &stage_prms->score_only, - "verbose", &stage_prms->verbose, + "verbosity", &stage_prms->verbose, "nsteps", &stage_prms->nsteps); - if (unpack_result != 0) { - ERR_MSG("Flags unpacking"); + if (code != 0) { + JSON_ERR_MSG(j_error, "Flags unpacking"); error = true; break; } @@ -1025,7 +1024,7 @@ bool energy_prm_read( } -void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een) { +void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een) { size_t i, i1, i2, nat; double xtot, ytot, ztot, fk; struct mol_vector3 g; @@ -1066,7 +1065,7 @@ void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* } -void pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group* ag, double *een) { +void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een) { size_t i, i1, i2; double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; struct mol_vector3 g; diff --git a/src/potentials.h b/src/potentials.h index a716301..95cd602 100644 --- a/src/potentials.h +++ b/src/potentials.h @@ -14,6 +14,12 @@ #include "parse_options.h" +struct json_log_setup { + bool print_step; + bool print_stage; + bool print_noe_matrix; +}; + struct energy_prm { struct mol_atom_group *ag; struct agsetup *ag_setup; @@ -37,6 +43,8 @@ struct energy_prm { bool score_only; bool verbose; + + struct json_log_setup json_log_setup; }; struct noe_setup { @@ -83,17 +91,17 @@ struct fixed_setup { bool energy_prm_read( - struct energy_prm** result_energy_prm, - size_t* result_nstages, - struct options prms); + struct energy_prm **result_energy_prm, + size_t *result_nstages, + const struct options prms); void energy_prm_free(struct energy_prm** prm, size_t nstages); struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prms); -void pointspring_energy(struct pointsprings_setup *sprst, struct mol_atom_group* ag, double *een); +void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een); -void pairspring_energy(struct pairsprings_setup *sprst, struct mol_atom_group* ag, double *een); +void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een); #endif //ENERGYMIN_POTENTIALS_H \ No newline at end of file diff --git a/src/utils.c b/src/utils.c new file mode 100644 index 0000000..605e29f --- /dev/null +++ b/src/utils.c @@ -0,0 +1,16 @@ +#include "utils.h" + + +enum VERBOSITY_LEVELS VERBOSITY = QUIET; + + +json_t* read_json_file(const char *path) +{ + json_error_t error; + json_t* root = json_load_file(path, 0, &error); + if (root == NULL) { + ERR_MSG("Can't load file %s", path); + return NULL; + } + return root; +} diff --git a/src/utils.h b/src/utils.h index 7e759b7..0729f8a 100644 --- a/src/utils.h +++ b/src/utils.h @@ -2,19 +2,67 @@ #define ENERGYMIN_UTILS_H #include +#include -#define ERR_MSG(fmt, ...) do { \ - fprintf(stderr,"[Error] (file %s, %s, line %i):\n" fmt "\n", \ - __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ + +enum VERBOSITY_LEVELS { + QUIET = 0, + ERROR = 1, + WARNING = 2, + INFO = 3, + DEBUG = 4 +}; + + +extern enum VERBOSITY_LEVELS VERBOSITY; + + +#define JSON_ERR_MSG(json_error, fmt, ...) do { \ + if (VERBOSITY > QUIET) { \ + fprintf(stderr, \ + "[Json parse error] (%s:%i, %s):\n\n" \ + " " fmt "\n\n" \ + " Source: %s\n" \ + " Message: %s\n" \ + " Line: %i\n" \ + " Column: %i\n\n", \ + __FILE__, __LINE__, __func__ \ + ##__VA_ARGS__, \ + json_error.source, \ + json_error.text, \ + json_error.line, \ + json_error.column); \ + } \ +} while(0) + +#define ERR_MSG(fmt, ...) do { \ + if (VERBOSITY > QUIET) { \ + fprintf(stderr, \ + "[Error] (%s:%i, %s):\n\n" \ + " " fmt "\n\n", \ + __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ + } \ } while(0) #define WRN_MSG(fmt, ...) do { \ - fprintf(stderr,"[Warning] (file %s, %s, line %i):\n" fmt "\n", \ - __FILE__, __func__, __LINE__, ##__VA_ARGS__); \ + if (VERBOSITY > ERROR) { \ + fprintf(stderr, \ + "[Warning] (%s:%i, %s):\n\n" \ + " " fmt "\n\n", \ + __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ + } \ } while(0) #define INFO_MSG(fmt, ...) do { \ - fprintf(stderr,"[Info]: " fmt "\n", ##__VA_ARGS__); \ + if (VERBOSITY > WARNING) { \ + fprintf(stderr, "[Info]: " fmt "\n", ##__VA_ARGS__); \ + } \ +} while(0) + +#define DEBUG_MSG(fmt, ...) do { \ + if (VERBOSITY > INFO) { \ + fprintf(stderr,"[Debug]: " fmt "\n", ##__VA_ARGS__); \ + } \ } while(0) #define FOPEN_ELSE(handle, path, mode) \ @@ -22,6 +70,10 @@ if ((handle) == NULL) { \ ERR_MSG("Can't open %s", (path)); \ } \ - if ((handle) == NULL) \ + if ((handle) == NULL) + + +json_t* read_json_file(const char *path); + -#endif //ENERGYMIN_UTILS_H +#endif //ENERGYMIN_UTILS_H \ No newline at end of file diff --git a/test/data/setup_all.json b/test/data/setup_all.json index 468ef14..dfb7aed 100644 --- a/test/data/setup_all.json +++ b/test/data/setup_all.json @@ -1,84 +1,103 @@ -[ - { - "nsteps": 1000, - "fix_receptor": true, - "vdw": false - }, - { - "nsteps": 500, - "fixed": [0,1,2,3,4,8,2000], - "pairsprings": [ - { - "weight": 10, - "error": 0.1, - "length": 10, - "atom1": 2, - "atom2": 5 - } - ], - "noe": { - "weight": 1000, - "power": 0.33333, - "groups": [ - [0], - [1] +{ + "stages": [ + { + "nsteps": 1000, + "fix_receptor": true, + "vdw": false + }, + { + "nsteps": 500, + "fixed": [ + 0, + 1, + 2, + 3, + 4, + 8, + 2000 ], - "frequency": 0.00006, - "t_cor": 0.1, - "t_mix": 0.2, - "cutoff": 10, - "experiment": [ - { - "group1": 0, - "group2": 0, - "value": 0.840252 - }, - { - "group1": 0, - "group2": 1, - "value": -0.074589 - }, - { - "group1": 1, - "group2": 0, - "value": -0.074589 - }, + "pairsprings": [ { - "group1": 1, - "group2": 1, - "value": 0.840252 + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 } ], - "mask": [[0, 1]] - } - }, - { - "nsteps": 500, - "pointsprings": [ - { - "weight": 10, - "coords": [ - 1, - 1, - 1 + "noe": { + "weight": 1000, + "power": 0.33333, + "groups": [ + [ + 0 + ], + [ + 1 + ] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } ], - "atoms": [ - 1, - 2, - 3, - 4, - 5 + "mask": [ + [ + 0, + 1 + ] ] } - ], - "pairsprings": [ - { - "weight": 10, - "error": 0.1, - "length": 10, - "atom1": 2, - "atom2": 5 - } - ] - } -] \ No newline at end of file + }, + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 1, + 1, + 1 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } + ] +} \ No newline at end of file diff --git a/test/data/setup_fixed_flag.json b/test/data/setup_fixed_flag.json index 83d4ee2..e6e2760 100644 --- a/test/data/setup_fixed_flag.json +++ b/test/data/setup_fixed_flag.json @@ -1,6 +1,8 @@ -[ - { - "nsteps": 1000, - "fix_receptor": true - } -] \ No newline at end of file +{ + "stages": [ + { + "nsteps": 1000, + "fix_receptor": true + } + ] +} \ No newline at end of file diff --git a/test/data/setup_fixed_json.json b/test/data/setup_fixed_json.json index 0bc27ce..c83263b 100644 --- a/test/data/setup_fixed_json.json +++ b/test/data/setup_fixed_json.json @@ -1,14 +1,16 @@ -[ - { - "nsteps": 500, - "fixed": [ - 0, - 1, - 2, - 3, - 4, - 8, - 2000 - ] - } -] \ No newline at end of file +{ + "stages": [ + { + "nsteps": 500, + "fixed": [ + 0, + 1, + 2, + 3, + 4, + 8, + 2000 + ] + } + ] +} \ No newline at end of file diff --git a/test/data/setup_global.json b/test/data/setup_global.json new file mode 100644 index 0000000..e5707cf --- /dev/null +++ b/test/data/setup_global.json @@ -0,0 +1,9 @@ +{ + "options": { + "pdb": "test.pdb", + "json": "test.json", + "nsteps": 100, + "bonds": false, + "dihedrals": false + } +} \ No newline at end of file diff --git a/test/data/setup_global_unknown_args.json b/test/data/setup_global_unknown_args.json new file mode 100644 index 0000000..999f55f --- /dev/null +++ b/test/data/setup_global_unknown_args.json @@ -0,0 +1,9 @@ +{ + "options": { + "pdb": "test.pdb", + "json": "test.json", + "nsteps": 100, + "bonds": false, + "wrong_argument_name": false + } +} \ No newline at end of file diff --git a/test/data/setup_noe.json b/test/data/setup_noe.json index 67fc2a3..284b54e 100644 --- a/test/data/setup_noe.json +++ b/test/data/setup_noe.json @@ -1,40 +1,51 @@ -[ - { - "nsteps": 500, - "noe": { - "weight": 1000, - "power": 0.1666, - "groups": [ - [0], - [1] - ], - "frequency": 0.00006, - "t_cor": 0.1, - "t_mix": 0.2, - "cutoff": 10, - "experiment": [ - { - "group1": 0, - "group2": 0, - "value": 0.840252 - }, - { - "group1": 0, - "group2": 1, - "value": -0.074589 - }, - { - "group1": 1, - "group2": 0, - "value": -0.074589 - }, - { - "group1": 1, - "group2": 1, - "value": 0.840252 - } - ], - "mask": [[0, 1]] +{ + "stages": [ + { + "nsteps": 500, + "noe": { + "weight": 1000, + "power": 0.1666, + "groups": [ + [ + 0 + ], + [ + 1 + ] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } + ], + "mask": [ + [ + 0, + 1 + ] + ] + } } - } -] \ No newline at end of file + ] +} \ No newline at end of file diff --git a/test/data/setup_noe_invalid.json b/test/data/setup_noe_invalid.json index f2a0cab..70b384e 100644 --- a/test/data/setup_noe_invalid.json +++ b/test/data/setup_noe_invalid.json @@ -1,40 +1,51 @@ -[ - { - "nsteps": 500, - "noe": { - "weight": 1000, - "power": 0.1666, - "groups": [ - [0], - [1] - ], - "frequency": 0.00006, - "t_cor": 0.1, - "t_mix": 0.2, - "cutoff": 10, - "experiment": [ - { - "group1": 0, - "group2": 0, - "value": 0.840252 - }, - { - "group1": 0, - "group2": 1, - "value": -0.074589 - }, - { - "group1": 1, - "group2": 0, - "value": -0.074589 - }, - { - "group1": 1, - "group2": 5, - "value": 0.840252 - } - ], - "mask": [[0, 1]] +{ + "stages": [ + { + "nsteps": 500, + "noe": { + "weight": 1000, + "power": 0.1666, + "groups": [ + [ + 0 + ], + [ + 1 + ] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 5, + "value": 0.840252 + } + ], + "mask": [ + [ + 0, + 1 + ] + ] + } } - } -] \ No newline at end of file + ] +} \ No newline at end of file diff --git a/test/data/setup_pairsprings.json b/test/data/setup_pairsprings.json index 0a94ab0..5ce7383 100644 --- a/test/data/setup_pairsprings.json +++ b/test/data/setup_pairsprings.json @@ -1,14 +1,16 @@ -[ - { - "nsteps": 1000, - "pairsprings": [ - { - "weight": 10, - "error": 0.1, - "length": 10, - "atom1": 2, - "atom2": 5 - } - ] - } -] \ No newline at end of file +{ + "stages": [ + { + "nsteps": 1000, + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } + ] +} \ No newline at end of file diff --git a/test/data/setup_pairsprings_invalid.json b/test/data/setup_pairsprings_invalid.json index c6c57a0..d348699 100644 --- a/test/data/setup_pairsprings_invalid.json +++ b/test/data/setup_pairsprings_invalid.json @@ -1,13 +1,15 @@ -[ - { - "nsteps": 1000, - "pairsprings": [ - { - "error": 0.1, - "length": 10, - "atom1": 2, - "atom2": 5 - } - ] - } -] \ No newline at end of file +{ + "stages": [ + { + "nsteps": 1000, + "pairsprings": [ + { + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } + ] +} \ No newline at end of file diff --git a/test/data/setup_pointsprings.json b/test/data/setup_pointsprings.json index cf7598a..f6b757a 100644 --- a/test/data/setup_pointsprings.json +++ b/test/data/setup_pointsprings.json @@ -1,22 +1,24 @@ -[ - { - "nsteps": 500, - "pointsprings": [ - { - "weight": 10.0, - "coords": [ - 1.0, - 1.0, - 1.0 - ], - "atoms": [ - 1, - 2, - 3, - 4, - 5 - ] - } - ] - } -] \ No newline at end of file +{ + "stages": [ + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10.0, + "coords": [ + 1.0, + 1.0, + 1.0 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ] + } + ] +} \ No newline at end of file diff --git a/test/data/setup_pointsprings_invalid.json b/test/data/setup_pointsprings_invalid.json index 39aaeca..ad7cafe 100644 --- a/test/data/setup_pointsprings_invalid.json +++ b/test/data/setup_pointsprings_invalid.json @@ -1,21 +1,23 @@ -[ - { - "nsteps": 500, - "pointsprings": [ - { - "weight": 10, - "coords": [ - 1, - 1 - ], - "atoms": [ - 1, - 2, - 3, - 4, - 5 - ] - } - ] - } -] \ No newline at end of file +{ + "stages": [ + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 1, + 1 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ] + } + ] +} \ No newline at end of file diff --git a/test/test_all.c b/test/test_all.c index 2748c9f..b1e196a 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -130,9 +130,16 @@ START_TEST(test_check_getopt_success) ck_assert(opts.fix_receptor); ck_assert(!opts.fix_ligand); break; - - default: - ck_assert(false); + case 7: + opts = parse_args(4, (char *[]) {"sham", "sham", + "--setup-json", "setup_global.json"}, &error); + ck_assert(!error); + ck_assert_str_eq(opts.json, "test.json"); + ck_assert_str_eq(opts.pdb, "test.pdb"); + ck_assert_int_eq(opts.nsteps, 100); + ck_assert(!opts.dihedrals); + ck_assert(!opts.bonds); + break; } } END_TEST @@ -188,9 +195,11 @@ START_TEST(test_check_getopt_failure) "--fix-receptor"}, &error); ck_assert(error); break; - - default: - ck_assert(false); + case 7: + parse_args(4, (char *[]) {"sham", "sham", + "--setup-json", "setup_global_unknown_args.json"}, &error); + ck_assert(error); + break; } } END_TEST @@ -292,9 +301,6 @@ START_TEST(test_mol_atom_group_list_from_options) ck_assert_int_eq(ag_list->size, 2); break; - default: - ck_assert(false); - /*case 6: // Fail with wrong prm file (this produces segfault, because of buggy mol_atom_group_read_geometry) opts = get_defaut_options(); @@ -562,6 +568,8 @@ START_TEST(test_energy_prm_from_json) // Pass generic setup opts = get_defaut_options(); opts.separate = true; + opts.rec_natoms = 1000; + opts.lig_natoms = 100; opts.setup_json = "setup_all.json"; ck_assert(energy_prm_read(&prms, &nstages, opts)); @@ -607,8 +615,8 @@ Suite *lists_suite(void) Suite *suite = suite_create("functionality"); TCase *tcase_real = tcase_create("real"); //tcase_add_checked_fixture(tcase_real, setup_real, teardown_real); - tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 7); - tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 7); + tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 8); + tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 8); tcase_add_loop_test(tcase_real, test_mol_atom_group_list_from_options, 0, 7); tcase_add_loop_test(tcase_real, test_energy_prm_from_flags, 0, 9); tcase_add_loop_test(tcase_real, test_energy_prm_from_json, 0, 10); From 1348a9efe28fb3fb382cb1813011ef9bcddd8560 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Fri, 8 May 2020 19:26:35 -0400 Subject: [PATCH 09/31] Moved energy function to a separate module. Added error messages --- CMakeLists.txt | 5 +- src/energy.c | 229 +++++++++++++++++++ src/energy.h | 21 ++ src/minimize.c | 221 +++---------------- src/parse_options.c | 156 +++++++------ src/parse_options.h | 6 +- src/{potentials.c => setup.c} | 401 ++++++++++++++-------------------- src/{potentials.h => setup.h} | 22 +- test/test_all.c | 254 ++++++++++----------- 9 files changed, 666 insertions(+), 649 deletions(-) create mode 100644 src/energy.c create mode 100644 src/energy.h rename src/{potentials.c => setup.c} (68%) rename src/{potentials.h => setup.h} (78%) diff --git a/CMakeLists.txt b/CMakeLists.txt index 2069d3f..6209116 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -44,9 +44,10 @@ set(INCLUDE_LIST "${GSL_INCLUDE_DIR}") set(SRC_LIST - ${PROJECT_SOURCE_DIR}/src/potentials.c + ${PROJECT_SOURCE_DIR}/src/setup.c ${PROJECT_SOURCE_DIR}/src/parse_options.c - ${PROJECT_SOURCE_DIR}/src/utils.c) + ${PROJECT_SOURCE_DIR}/src/utils.c + ${PROJECT_SOURCE_DIR}/src/energy.c) add_executable(minimize ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) diff --git a/src/energy.c b/src/energy.c new file mode 100644 index 0000000..b4c960b --- /dev/null +++ b/src/energy.c @@ -0,0 +1,229 @@ +#include "energy.h" + +#include "mol2/benergy.h" +#include "mol2/gbsa.h" +#include "mol2/nbenergy.h" +#include "mol2/fitting.h" +#include "mol2/noe.h" + + +lbfgsfloatval_t energy_func( + void *restrict prm, + const double *restrict array, + double *restrict gradient, + const int array_size, + __attribute__((unused)) const lbfgsfloatval_t step) { + + lbfgsfloatval_t total_energy = 0.0; + lbfgsfloatval_t term_energy; + + struct energy_prms *energy_prm = (struct energy_prms *) prm; + if (energy_prm->json_log == NULL) { + energy_prm->json_log = json_array(); + } + + json_t* energy_dict = json_object(); + + if (array != NULL) { + assert((size_t)array_size == energy_prm->ag->active_atoms->size * 3); + mol_atom_group_set_actives(energy_prm->ag, array); + } + + bool updated = check_clusterupdate(energy_prm->ag, energy_prm->ag_setup); + if (updated) { + if (energy_prm->ace_setup != NULL) { + ace_updatenblst(energy_prm->ag_setup, energy_prm->ace_setup); + } + } + + mol_zero_gradients(energy_prm->ag); + + if (energy_prm->ace_setup != NULL) { + term_energy = 0.0; + aceeng(energy_prm->ag, &term_energy, energy_prm->ace_setup, energy_prm->ag_setup); + json_object_set_new(energy_dict, "gbsa", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->vdw) { + term_energy = 0.0; + vdweng(energy_prm->ag, &term_energy, energy_prm->ag_setup->nblst); + json_object_set_new(energy_dict, "vdw", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->vdw03) { + term_energy = 0.0; + vdwengs03( + 1.0, + energy_prm->ag_setup->nblst->nbcof, + energy_prm->ag, &term_energy, + energy_prm->ag_setup->nf03, + energy_prm->ag_setup->listf03); + json_object_set_new(energy_dict, "vdw03", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->bonds) { + term_energy = 0.0; + beng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "bonds", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->angles) { + term_energy = 0.0; + aeng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "angles", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->dihedrals) { + term_energy = 0.0; + teng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "dihedrals", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->impropers) { + term_energy = 0.0; + ieng(energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "impropers", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->sprst_pairs != NULL) { + term_energy = 0.0; + pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "pairsprings", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->sprst_points != NULL) { + term_energy = 0.0; + pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &term_energy); + json_object_set_new(energy_dict, "pointsprings", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->nmr != NULL) { + mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true); + mol_noe_calc_energy( + energy_prm->nmr->spec, + energy_prm->ag->gradients, + energy_prm->nmr->weight, + energy_prm->nmr->power); + + term_energy = energy_prm->nmr->spec->energy; + total_energy += term_energy; + + json_object_set_new(energy_dict, "noe", json_real(term_energy)); + + if (energy_prm->json_log_setup.print_noe_matrix) { + json_object_set_new(energy_dict, "noe_details", mol_noe_to_json_object(energy_prm->nmr->spec)); + } + } + + if (energy_prm->fit_prms != NULL) { + term_energy = mol_fitting_score_aglist(energy_prm->ag, + energy_prm->fit_prms->ag_list, + energy_prm->fit_prms->ag_count, + &energy_prm->fit_prms->prms, + energy_prm->fit_prms->weight); + json_object_set_new(energy_dict, "density", json_real(term_energy)); + total_energy += term_energy; + } + + if (gradient != NULL) { + for (int i = 0; i < array_size / 3; i++) { + int atom_i = energy_prm->ag->active_atoms->members[i]; + gradient[3 * i] = -energy_prm->ag->gradients[atom_i].X; + gradient[3 * i + 1] = -energy_prm->ag->gradients[atom_i].Y; + gradient[3 * i + 2] = -energy_prm->ag->gradients[atom_i].Z; + } + } + + json_object_set_new(energy_dict, "total", json_real(total_energy)); + json_array_append_new(energy_prm->json_log, energy_dict); + + return total_energy; +} + + +void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een) { + size_t i, i1, i2, nat; + double xtot, ytot, ztot, fk; + struct mol_vector3 g; + + for (i = 0; i < sprst->nsprings; i++) { + nat = sprst->springs[i].naspr; + + if (nat > 0) { + xtot = 0.0; + ytot = 0.0; + ztot = 0.0; + + for (i1 = 0; i1 < nat; i1++) { + i2 = sprst->springs[i].laspr[i1]; + xtot += ag->coords[i2].X; + ytot += ag->coords[i2].Y; + ztot += ag->coords[i2].Z; + } + + xtot = xtot / nat - sprst->springs[i].X0; + ytot = ytot / nat - sprst->springs[i].Y0; + ztot = ztot / nat - sprst->springs[i].Z0; + + fk = sprst->springs[i].fkspr; + (*een) += fk * (xtot * xtot + ytot * ytot + ztot * ztot); + + fk = 2 * fk / nat; + g.X = xtot * fk; + g.Y = ytot * fk; + g.Z = ztot * fk; + + for (i1 = 0; i1 < nat; i1++) { + i2 = sprst->springs[i].laspr[i1]; + MOL_VEC_SUB(ag->gradients[i2], ag->gradients[i2], g); + } + } + } +} + + +void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een) { + size_t i, i1, i2; + double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; + struct mol_vector3 g; + + for (i = 0; i < sprst->nsprings; i++) { + ln = sprst->springs[i].lnspr; + er = sprst->springs[i].erspr; + fk = sprst->springs[i].fkspr / 2.0; + + i1 = sprst->springs[i].laspr[0]; + i2 = sprst->springs[i].laspr[1]; + + xtot = ag->coords[i2].X - ag->coords[i1].X; + ytot = ag->coords[i2].Y - ag->coords[i1].Y; + ztot = ag->coords[i2].Z - ag->coords[i1].Z; + + d2 = xtot * xtot + ytot * ytot + ztot * ztot; + d = sqrt(d2); + + delta = fabs(d - ln); + delta = (delta > er) ? ((delta - er) * delta / (d - ln)) : 0.0; + + //(*een) += fk * (d - ln) * (d - ln); + (*een) += fk * delta * delta; + //coef = fk * 2 * (1.0 - ln / d); + coef = fk * 2.0 * delta / d; + + g.X = -coef * xtot; + g.Y = -coef * ytot; + g.Z = -coef * ztot; + + MOL_VEC_SUB(ag->gradients[i1], ag->gradients[i1], g); + MOL_VEC_ADD(ag->gradients[i2], ag->gradients[i2], g); + } +} \ No newline at end of file diff --git a/src/energy.h b/src/energy.h new file mode 100644 index 0000000..3af26c7 --- /dev/null +++ b/src/energy.h @@ -0,0 +1,21 @@ +#ifndef ENERGYMIN_ENERGY_H +#define ENERGYMIN_ENERGY_H + +#include "mol2/minimize.h" + +#include "setup.h" + + +lbfgsfloatval_t energy_func( + void *restrict prm, + const double *restrict array, + double *restrict gradient, + const int array_size, + const lbfgsfloatval_t step); + +void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een); + +void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een); + + +#endif //ENERGYMIN_ENERGY_H diff --git a/src/minimize.c b/src/minimize.c index c28cd85..a28e77b 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -1,82 +1,64 @@ #include #include -#include -#include #include -#include "mol2/json.h" -#include "mol2/benergy.h" #include "mol2/gbsa.h" -#include "mol2/icharmm.h" #include "mol2/minimize.h" -#include "mol2/nbenergy.h" #include "mol2/pdb.h" -#include "mol2/fitting.h" -#include "mol2/noe.h" #include "utils.h" -#include "potentials.h" +#include "setup.h" #include "parse_options.h" +#include "energy.h" #define __TOL__ 5E-4 -static lbfgsfloatval_t energy_func( - void *restrict prm, - const double *restrict array, - double *restrict gradient, - const int array_size, - const lbfgsfloatval_t step); - - int main(int argc, char **argv) { VERBOSITY = DEBUG; mol_enable_floating_point_exceptions(); - bool parse_error; - struct options parsed = parse_args(argc, argv, &parse_error); - if (parse_error) { - ERR_MSG("Parse error"); - free_options(parsed); + bool opts_error; + struct options opts = options_populate_from_argv(argc, argv, &opts_error); + if (opts_error) { + ERR_MSG("Couldn't parse options"); + options_free(opts); exit(EXIT_FAILURE); } - if (parsed.help) { - free_options(parsed); + if (opts.help) { + options_free(opts); exit(EXIT_SUCCESS); } - struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&parsed); + struct mol_atom_group_list* ag_list = mol_atom_group_list_from_options(&opts); if (!ag_list) { - ERR_MSG("Couldn't read atom groups"); - free_options(parsed); + ERR_MSG("Couldn't create atom group for minimization"); + options_free(opts); exit(EXIT_FAILURE); } - struct energy_prm* min_prms; + struct energy_prms* min_prms; size_t nstages; - if (!energy_prm_read(&min_prms, &nstages, parsed)) { - ERR_MSG("Couldn't fill params"); - free_options(parsed); + if (!energy_prms_populate_from_options(&min_prms, &nstages, opts)) { + ERR_MSG("Couldn't populate energy parameters"); + options_free(opts); mol_atom_group_list_free(ag_list); exit(EXIT_FAILURE); } - INFO_MSG("Started the main loop\n"); - FILE* out_pdb; - FOPEN_ELSE(out_pdb, parsed.out_pdb, "w") { - ERR_MSG("Can't open %s", parsed.out_pdb); - free_options(parsed); + FOPEN_ELSE(out_pdb, opts.out_pdb, "w") { + options_free(opts); mol_atom_group_list_free(ag_list); - energy_prm_free(&min_prms, nstages); + energy_prms_free(&min_prms, nstages); exit(EXIT_FAILURE); } json_t* json_log_total = json_array(); for (size_t modeli = 0; modeli < ag_list->size; modeli++) { - INFO_MSG("Started model %zu\n", modeli); + INFO_MSG("Started model %zu", modeli); if (ag_list->size > 1) { fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); @@ -87,17 +69,18 @@ int main(int argc, char **argv) { struct mol_atom_group *ag = &ag_list->members[modeli]; ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); + // Run stages of minimization for (size_t stage_id = 0; stage_id < nstages; stage_id++) { - INFO_MSG("Stage %zu\n", stage_id); + INFO_MSG("Stage %zu", stage_id); json_t* json_log_stage = json_object(); - struct energy_prm *stage_prms = &min_prms[stage_id]; + struct energy_prms *stage_prms = &min_prms[stage_id]; stage_prms->ag = ag; struct agsetup ag_setup; struct acesetup ace_setup; - // Setup fixed atoms and lists + // Setup fixed atoms and nblists mol_fixed_init(ag); if (stage_prms->fixed) { @@ -109,6 +92,7 @@ int main(int argc, char **argv) { init_nblst(ag, &ag_setup); update_nblst(ag, &ag_setup); + // Set up GBSA if (stage_prms->gbsa) { ace_setup.efac = 0.5; ace_ini(ag, &ace_setup); @@ -121,6 +105,7 @@ int main(int argc, char **argv) { stage_prms->ag_setup = &ag_setup; + // Minimize energy mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); // Record energy every time it was evaluated @@ -147,157 +132,21 @@ int main(int argc, char **argv) { if (ag_list->size > 1) { fprintf(out_pdb, "ENDMDL\n"); } + + INFO_MSG("Finished model %zu", modeli); } - json_dump_file(json_log_total, parsed.out_json, JSON_INDENT(4)); + if (!json_dump_file(json_log_total, opts.out_json, JSON_INDENT(4))) { + ERR_MSG("Couldn't write to file %s", opts.out_json); + return EXIT_FAILURE; + } json_decref(json_log_total); + // Free everything mol_atom_group_list_free(ag_list); + energy_prms_free(&min_prms, nstages); + options_free(opts); INFO_MSG("Completed\n"); return EXIT_SUCCESS; } - - -static lbfgsfloatval_t energy_func( - void *restrict prm, - const double *restrict array, - double *restrict gradient, - const int array_size, - __attribute__((unused)) const lbfgsfloatval_t step) { - - lbfgsfloatval_t total_energy = 0.0; - lbfgsfloatval_t term_energy; - - struct energy_prm *energy_prm = (struct energy_prm *) prm; - if (energy_prm->json_log == NULL) { - energy_prm->json_log = json_array(); - } - - json_t* energy_dict = json_object(); - - if (array != NULL) { - assert((size_t)array_size == energy_prm->ag->active_atoms->size * 3); - mol_atom_group_set_actives(energy_prm->ag, array); - } - - bool updated = check_clusterupdate(energy_prm->ag, energy_prm->ag_setup); - if (updated) { - if (energy_prm->ace_setup != NULL) { - ace_updatenblst(energy_prm->ag_setup, energy_prm->ace_setup); - } - } - - mol_zero_gradients(energy_prm->ag); - - if (energy_prm->ace_setup != NULL) { - term_energy = 0.0; - aceeng(energy_prm->ag, &term_energy, energy_prm->ace_setup, energy_prm->ag_setup); - json_object_set_new(energy_dict, "gbsa", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->vdw) { - term_energy = 0.0; - vdweng(energy_prm->ag, &term_energy, energy_prm->ag_setup->nblst); - json_object_set_new(energy_dict, "vdw", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->vdw03) { - term_energy = 0.0; - vdwengs03( - 1.0, - energy_prm->ag_setup->nblst->nbcof, - energy_prm->ag, &term_energy, - energy_prm->ag_setup->nf03, - energy_prm->ag_setup->listf03); - json_object_set_new(energy_dict, "vdw03", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->bonds) { - term_energy = 0.0; - beng(energy_prm->ag, &term_energy); - json_object_set_new(energy_dict, "bonds", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->angles) { - term_energy = 0.0; - aeng(energy_prm->ag, &term_energy); - json_object_set_new(energy_dict, "angles", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->dihedrals) { - term_energy = 0.0; - teng(energy_prm->ag, &term_energy); - json_object_set_new(energy_dict, "dihedrals", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->impropers) { - term_energy = 0.0; - ieng(energy_prm->ag, &term_energy); - json_object_set_new(energy_dict, "impropers", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->sprst_pairs != NULL) { - term_energy = 0.0; - pairspring_energy(energy_prm->sprst_pairs, energy_prm->ag, &term_energy); - json_object_set_new(energy_dict, "pairsprings", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->sprst_points != NULL) { - term_energy = 0.0; - pointspring_energy(energy_prm->sprst_points, energy_prm->ag, &term_energy); - json_object_set_new(energy_dict, "pointsprings", json_real(term_energy)); - total_energy += term_energy; - } - - if (energy_prm->nmr != NULL) { - mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true); - mol_noe_calc_energy( - energy_prm->nmr->spec, - energy_prm->ag->gradients, - energy_prm->nmr->weight, - energy_prm->nmr->power); - - term_energy = energy_prm->nmr->spec->energy; - total_energy += term_energy; - - json_object_set_new(energy_dict, "noe", json_real(term_energy)); - - if (energy_prm->json_log_setup.print_noe_matrix) { - json_object_set_new(energy_dict, "noe_details", mol_noe_to_json_object(energy_prm->nmr->spec)); - } - } - - if (energy_prm->fit_prms != NULL) { - term_energy = mol_fitting_score_aglist(energy_prm->ag, - energy_prm->fit_prms->ag_list, - energy_prm->fit_prms->ag_count, - &energy_prm->fit_prms->prms, - energy_prm->fit_prms->weight); - json_object_set_new(energy_dict, "density", json_real(term_energy)); - total_energy += term_energy; - } - - if (gradient != NULL) { - for (int i = 0; i < array_size / 3; i++) { - int atom_i = energy_prm->ag->active_atoms->members[i]; - gradient[3 * i] = -energy_prm->ag->gradients[atom_i].X; - gradient[3 * i + 1] = -energy_prm->ag->gradients[atom_i].Y; - gradient[3 * i + 2] = -energy_prm->ag->gradients[atom_i].Z; - } - } - - json_object_set_new(energy_dict, "total", json_real(total_energy)); - json_array_append_new(energy_prm->json_log, energy_dict); - - return total_energy; -} - diff --git a/src/parse_options.c b/src/parse_options.c index 6a6b58b..24b4be1 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -37,7 +37,7 @@ } while (0) -struct options get_defaut_options() +struct options options_get_default() { struct options prms = { .out_pdb = "out.pdb", @@ -103,7 +103,7 @@ struct options get_defaut_options() } -void free_options(struct options opts) +void options_free(struct options opts) { if (opts.setup_json_root) { json_decref(opts.setup_json_root); @@ -111,27 +111,27 @@ void free_options(struct options opts) } -static bool _fill_prms_from_json(struct options* prms, json_t* root) +static bool _fill_prms_from_json(struct options* opts, json_t* root) { if (!json_is_object(root)) { return false; } - json_t* opts = json_object_get(root, "options"); - if (!opts) { + json_t* dict = json_object_get(root, "options"); + if (!dict) { return true; } - if (!json_is_object(opts)) { + if (!json_is_object(dict)) { ERR_MSG("Key 'options' must point to a dictionary"); - json_decref(opts); + json_decref(dict); return false; } json_error_t error; int code = json_unpack_ex( - opts, &error, JSON_STRICT, + dict, &error, JSON_STRICT, "{s?i, s?i " " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b " @@ -139,53 +139,53 @@ static bool _fill_prms_from_json(struct options* prms, json_t* root) " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s}", // integer options - "nsteps", &prms->nsteps, - "verbosity", &prms->verbosity, + "nsteps", &opts->nsteps, + "verbosity", &opts->verbosity, // binary options - "bonds", &prms->bonds, - "angles", &prms->angles, - "dihedrals", &prms->dihedrals, - "impropers", &prms->impropers, - "vdw", &prms->vdw, - "vdw03", &prms->vdw03, - "gbsa", &prms->gbsa, - "fix-receptor", &prms->fix_receptor, - "fix-ligand", &prms->fix_ligand, - "score-only", &prms->score_only, - "print-step", &prms->print_step, - "print-stage", &prms->print_stage, - "print-noe-matrix", &prms->print_noe_matrix, + "bonds", &opts->bonds, + "angles", &opts->angles, + "dihedrals", &opts->dihedrals, + "impropers", &opts->impropers, + "vdw", &opts->vdw, + "vdw03", &opts->vdw03, + "gbsa", &opts->gbsa, + "fix-receptor", &opts->fix_receptor, + "fix-ligand", &opts->fix_ligand, + "score-only", &opts->score_only, + "print-step", &opts->print_step, + "print-stage", &opts->print_stage, + "print-noe-matrix", &opts->print_noe_matrix, // char options - "out-pdb", &prms->out_pdb, - "out-json", &prms->out_json, - "psf", &prms->psf, - "prm", &prms->prm, - "rtf", &prms->rtf, - "pdb", &prms->pdb, - "json", &prms->json, - "rec-psf", &prms->rec_psf, - "rec-prm", &prms->rec_prm, - "rec-rtf", &prms->rec_rtf, - "rec-pdb", &prms->rec_pdb, - "rec-json", &prms->rec_json, - "lig-psf", &prms->lig_psf, - "lig-prm", &prms->lig_prm, - "lig-rtf", &prms->lig_rtf, - "lig-pdb", &prms->lig_pdb, - "lig-json", &prms->lig_json, - "fixed-pdb", &prms->fixed_pdb, - "pair-springs-txt", &prms->pair_springs_txt, - "point-springs-txt", &prms->point_springs_txt, - "noe-txt", &prms->noe_txt, - "noe-json", &prms->noe_json, - "density-json", &prms->density_json + "out-pdb", &opts->out_pdb, + "out-json", &opts->out_json, + "psf", &opts->psf, + "prm", &opts->prm, + "rtf", &opts->rtf, + "pdb", &opts->pdb, + "json", &opts->json, + "rec-psf", &opts->rec_psf, + "rec-prm", &opts->rec_prm, + "rec-rtf", &opts->rec_rtf, + "rec-pdb", &opts->rec_pdb, + "rec-json", &opts->rec_json, + "lig-psf", &opts->lig_psf, + "lig-prm", &opts->lig_prm, + "lig-rtf", &opts->lig_rtf, + "lig-pdb", &opts->lig_pdb, + "lig-json", &opts->lig_json, + "fixed-pdb", &opts->fixed_pdb, + "pair-springs-txt", &opts->pair_springs_txt, + "point-springs-txt", &opts->point_springs_txt, + "noe-txt", &opts->noe_txt, + "noe-json", &opts->noe_json, + "density-json", &opts->density_json ); if (code != 0) { JSON_ERR_MSG(error, "Couldn't parse setup from json"); - json_decref(opts); + json_decref(dict); return false; } @@ -193,83 +193,81 @@ static bool _fill_prms_from_json(struct options* prms, json_t* root) } -static int _check_prms(struct options *prms) +static int _check_prms(struct options *opts) { bool full = false; bool rec_sep = false; bool lig_sep = false; - VERBOSITY = prms->verbosity; + VERBOSITY = opts->verbosity; // Unpack setup json first and fill the global options if there are any - if (prms->setup_json) { - json_t* setup = read_json_file(prms->setup_json); + if (opts->setup_json) { + json_t* setup = read_json_file(opts->setup_json); if (!setup) { return 1; } - if (!_fill_prms_from_json(prms, setup)) { + if (!_fill_prms_from_json(opts, setup)) { json_decref(setup); - ERR_MSG("Couldn't parse options"); + ERR_MSG("Couldn't parse options from --setup-json"); return 1; } //json_decref(setup); - prms->setup_json_root = setup; - } + opts->setup_json_root = setup; - VERBOSITY = prms->verbosity; + VERBOSITY = opts->verbosity; + } - if (prms->json || prms->pdb || prms->psf || prms->prm || prms->rtf) { + if (opts->json || opts->pdb || opts->psf || opts->prm || opts->rtf) { full = true; - prms->separate = false; + opts->separate = false; - if (!(prms->json || (prms->pdb && prms->psf && prms->prm && prms->rtf))) { - ERR_MSG("Wrong sfds"); + if (!(opts->json || (opts->pdb && opts->psf && opts->prm && opts->rtf))) { + ERR_MSG("Json and/or pdb, psf, prm and rtf must be provided"); return 1; } - if (prms->fix_receptor) { - ERR_MSG("Can't fix receptor when provided as a single file"); + if (opts->fix_receptor) { + ERR_MSG("Can't fix the receptor when using single file mode"); return 1; } - if (prms->fix_ligand) { - ERR_MSG("Can't fix ligand when provided as a single file"); + if (opts->fix_ligand) { + ERR_MSG("Can't fix the ligand when using single file mode"); return 1; } - - INFO_MSG("Using prm %s", prms->prm); } - if (prms->rec_pdb || prms->rec_psf || prms->rec_prm || prms->rec_rtf || prms->rec_json) { + if (opts->rec_pdb || opts->rec_psf || opts->rec_prm || opts->rec_rtf || opts->rec_json) { if (full) { - ERR_MSG("Cant sep and full at the same time"); + ERR_MSG("You can't provide options for rec/lig mode and single file mode at the same time"); return 1; } - if (!(prms->rec_json || (prms->rec_pdb && prms->rec_psf && prms->rec_prm && prms->rec_rtf))) { - ERR_MSG("Rec error"); + if (!(opts->rec_json || (opts->rec_pdb && opts->rec_psf && opts->rec_prm && opts->rec_rtf))) { + ERR_MSG("Json and/or pdb, psf, prm and rtf must be provided for receptor"); return 1; } rec_sep = true; - if (!(prms->lig_json || (prms->lig_pdb && prms->lig_psf && prms->lig_prm && prms->lig_rtf))) { - ERR_MSG("Lig error"); + if (!(opts->lig_json || (opts->lig_pdb && opts->lig_psf && opts->lig_prm && opts->lig_rtf))) { + ERR_MSG("Json and/or pdb, psf, prm and rtf must be provided for ligand"); return 1; } lig_sep = true; - prms->separate = true; + opts->separate = true; } if (!(full || (rec_sep && lig_sep))) { - ERR_MSG("Nothing provided"); + ERR_MSG("The molecule wasn't provided"); return 1; } - if (prms->nsteps < 0) { - ERR_MSG("nsteps < 0"); + if (opts->nsteps < 0) { + ERR_MSG("Number of steps can't be negative"); return 1; } @@ -277,9 +275,9 @@ static int _check_prms(struct options *prms) } -struct options parse_args(const int argc, char *const *argv, bool *error) +struct options options_populate_from_argv(const int argc, char *const *argv, bool *error) { - struct options prms = get_defaut_options(); + struct options prms = options_get_default(); struct option long_options[] = { @@ -358,7 +356,7 @@ struct options parse_args(const int argc, char *const *argv, bool *error) case 0: if (long_options[option_index].flag != 0) break; - INFO_MSG("Option %s = %s", long_options[option_index].name, optarg); + DEBUG_MSG("Option %s = %s", long_options[option_index].name, optarg); break; case 'h': diff --git a/src/parse_options.h b/src/parse_options.h index 5bf9223..82891b5 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -73,11 +73,11 @@ struct options { }; -struct options get_defaut_options(void); +struct options options_get_default(void); -struct options parse_args(const int argc, char *const *argv, bool *error); +struct options options_populate_from_argv(const int argc, char *const *argv, bool *error); -void free_options(struct options prms); +void options_free(struct options opts); void usage_message(char *const *argv); diff --git a/src/potentials.c b/src/setup.c similarity index 68% rename from src/potentials.c rename to src/setup.c index 5ec62c2..8d83f90 100644 --- a/src/potentials.c +++ b/src/setup.c @@ -1,5 +1,5 @@ #include "utils.h" -#include "potentials.h" +#include "setup.h" #include "parse_options.h" #include "mol2/json.h" @@ -18,9 +18,9 @@ static struct mol_atom_group_list *_read_ag_list( struct mol_atom_group_list* ag_list = NULL; struct mol_atom_group* ag_json = NULL; - // Read molecule form json + // Read molecule from json if (json != NULL) { - INFO_MSG("Reading json file %s\n", json); + DEBUG_MSG("Reading json file %s", json); ag_json = mol_read_json(json); if (ag_json == NULL) { @@ -31,13 +31,13 @@ static struct mol_atom_group_list *_read_ag_list( // Read molecule from pdb if (pdb != NULL) { - DEBUG_MSG("Reading %s\n", pdb); - DEBUG_MSG("Trying to read %s as a multimodel one (with MODEL records)\n", pdb); + DEBUG_MSG("Reading %s", pdb); + DEBUG_MSG("Trying to read %s as a multimodel one (with MODEL records)", pdb); ag_list = mol_read_pdb_models(pdb); // If not multimodel, try to read as a single model if (ag_list == NULL) { - DEBUG_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file\n", pdb); + DEBUG_MSG("File %s doesn't have MODEL records. Reading as a regular pdb file", pdb); struct mol_atom_group* ag_single = mol_read_pdb(pdb); // If both single and multi-model failed - give up @@ -54,7 +54,7 @@ static struct mol_atom_group_list *_read_ag_list( // If json was provied too then merge geometry from json and coords from pdb if (ag_json != NULL) { - DEBUG_MSG("Reading coordinates from %s and geometry from %s\n", pdb, json); + DEBUG_MSG("Reading coordinates from %s and geometry from %s", pdb, json); struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); @@ -84,7 +84,7 @@ static struct mol_atom_group_list *_read_ag_list( } else if (psf && prm && rtf) { // If json wasn't provided read geometry from prm rtf psf - DEBUG_MSG("Reading geometry from %s\n", psf); + DEBUG_MSG("Reading geometry from %s", psf); for (size_t i = 0; i < ag_list->size; i++) { if (!mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf)) { ERR_MSG("Couldn't fill geometry from psf rtf and prm"); @@ -94,17 +94,17 @@ static struct mol_atom_group_list *_read_ag_list( } else if (score_only != 0) { // if they weren't provided, check the score_only flag - WRN_MSG("Geometry for the molecule is not provided, computing only non-parametric terms\n"); + WRN_MSG("Geometry for the molecule is not provided, computing only non-parametric terms"); } else { // Give up if nothing worked - ERR_MSG("--json or --psf must be provided with --pdb"); + ERR_MSG("Force field and geometry are not provided"); mol_atom_group_list_free(ag_list); return NULL; } } else if (ag_json != NULL) { - DEBUG_MSG("Using geometry and coordinates from %s\n", json); + DEBUG_MSG("Using geometry and coordinates from %s", json); ag_list = mol_atom_group_list_create(1); ag_list->members[0] = *ag_json; free(ag_json); @@ -120,11 +120,11 @@ static struct mol_atom_group_list *_read_ag_list( static struct mol_atom_group_list* _merge_ag_lists(const struct mol_atom_group_list* ag1, const struct mol_atom_group_list* ag2) { if (ag1->size != ag2->size) { - ERR_MSG("Receptor and ligand have different numbers of models (%i, %i)", (int)ag1->size, (int)ag2->size); + ERR_MSG("Receptor and ligand have different numbers of models (%zu, %zu)", ag1->size, ag2->size); return NULL; } - INFO_MSG("Using models assembled from receptor and ligand models provided separately\n"); + DEBUG_MSG("Using models assembled from receptor and ligand models provided separately\n"); struct mol_atom_group_list *ag_list = mol_atom_group_list_create(ag1->size); for (size_t i = 0; i < ag_list->size; i++) { @@ -137,25 +137,25 @@ static struct mol_atom_group_list* _merge_ag_lists(const struct mol_atom_group_l } -struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prms) +struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *opts) { struct mol_atom_group_list* ag_list; - if (prms->separate) { + if (opts->separate) { struct mol_atom_group_list* rec_list = _read_ag_list( - prms->rec_prm, - prms->rec_rtf, - prms->rec_pdb, - prms->rec_psf, - prms->rec_json, - prms->score_only); + opts->rec_prm, + opts->rec_rtf, + opts->rec_pdb, + opts->rec_psf, + opts->rec_json, + opts->score_only); struct mol_atom_group_list* lig_list = _read_ag_list( - prms->lig_prm, - prms->lig_rtf, - prms->lig_pdb, - prms->lig_psf, - prms->lig_json, - prms->score_only); + opts->lig_prm, + opts->lig_rtf, + opts->lig_pdb, + opts->lig_psf, + opts->lig_json, + opts->score_only); if (!rec_list || !lig_list) { if (rec_list) { @@ -167,28 +167,28 @@ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prm return NULL; } - prms->rec_natoms = rec_list->members[0].natoms; - prms->lig_natoms = lig_list->members[0].natoms; + opts->rec_natoms = rec_list->members[0].natoms; + opts->lig_natoms = lig_list->members[0].natoms; ag_list = _merge_ag_lists(rec_list, lig_list); } else { ag_list = _read_ag_list( - prms->prm, - prms->rtf, - prms->pdb, - prms->psf, - prms->json, - prms->score_only); - - prms->rec_natoms = 0; - prms->lig_natoms = 0; + opts->prm, + opts->rtf, + opts->pdb, + opts->psf, + opts->json, + opts->score_only); + + opts->rec_natoms = 0; + opts->lig_natoms = 0; } return ag_list; } -void fixed_setup_free(struct fixed_setup** fixed) +static void _fixed_setup_free(struct fixed_setup **fixed) { if (*fixed != NULL) { if ((*fixed)->atoms) { @@ -200,7 +200,7 @@ void fixed_setup_free(struct fixed_setup** fixed) } -struct fixed_setup* fixed_setup_read_txt(const char *file) { +static struct fixed_setup* _fixed_setup_read_txt(const char *file) { FILE* fp; FOPEN_ELSE(fp, file, "r") { return NULL; @@ -237,10 +237,10 @@ struct fixed_setup* fixed_setup_read_txt(const char *file) { } -struct fixed_setup* fixed_setup_read_json(const json_t* root) +static struct fixed_setup* _fixed_setup_read_json(const json_t *root) { if (!json_is_array(root)) { - ERR_MSG("Must be array"); + ERR_MSG("Fixed atoms json setup must be an array"); return NULL; } @@ -252,7 +252,7 @@ struct fixed_setup* fixed_setup_read_json(const json_t* root) json_t* atom_id; json_array_foreach(root, counter, atom_id) { if (!json_is_integer(atom_id)) { - fixed_setup_free(&result); + _fixed_setup_free(&result); json_decref(atom_id); return NULL; } @@ -263,7 +263,7 @@ struct fixed_setup* fixed_setup_read_json(const json_t* root) } -void pairsprings_setup_free(struct pairsprings_setup **sprst) { +static void _pairsprings_setup_free(struct pairsprings_setup **sprst) { if (*sprst != NULL) { free((*sprst)->springs); free(*sprst); @@ -272,7 +272,7 @@ void pairsprings_setup_free(struct pairsprings_setup **sprst) { } -struct fixed_setup* fixed_setup_atom_range(const size_t start_atom, const size_t end_atom) +static struct fixed_setup* _fixed_setup_atom_range(const size_t start_atom, const size_t end_atom) { struct fixed_setup* fixed = calloc(1, sizeof(struct fixed_setup)); fixed->natoms = end_atom - start_atom; @@ -284,7 +284,7 @@ struct fixed_setup* fixed_setup_atom_range(const size_t start_atom, const size_t } -struct pairsprings_setup *pairsprings_setup_read_txt(const char *path) { +static struct pairsprings_setup *_pairsprings_setup_read_txt(const char *path) { FILE *fp; FOPEN_ELSE(fp, path, "r") { return NULL; @@ -294,7 +294,7 @@ struct pairsprings_setup *pairsprings_setup_read_txt(const char *path) { sprst = calloc(1, sizeof(struct pairsprings_setup)); if (fscanf(fp, "%zu", &sprst->nsprings) != 1) { - ERR_MSG("Wrong spring file format\n"); + ERR_MSG("First line is pairsprings setup must be the number of springs"); free(sprst); fclose(fp); return NULL; @@ -318,7 +318,7 @@ struct pairsprings_setup *pairsprings_setup_read_txt(const char *path) { name2); if (c != 7) { - ERR_MSG("Wrong spring file format\n"); + ERR_MSG("Each line in pairsprings setup must have 7 tokens"); free(sprst->springs); free(sprst); fclose(fp); @@ -336,9 +336,9 @@ struct pairsprings_setup *pairsprings_setup_read_txt(const char *path) { } -struct pairsprings_setup *pairsprings_setup_read_json(const json_t* root) { +static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root) { if (!json_is_array(root)) { - ERR_MSG("Pairsprings must be an array"); + ERR_MSG("Pairsprings json setup must be an array"); return NULL; } @@ -362,7 +362,7 @@ struct pairsprings_setup *pairsprings_setup_read_json(const json_t* root) { "atom2", &spring_set[counter].laspr[1]); if (result != 0) { - JSON_ERR_MSG(j_error, "Wrong pairspring format"); + JSON_ERR_MSG(j_error, "Wrong pairspring setup json format"); error = true; break; } @@ -425,7 +425,7 @@ struct pairsprings_setup *pairsprings_setup_read_json(const json_t* root) { } -void pointsprings_setup_free(struct pointsprings_setup **sprst) { +static void _pointsprings_setup_free(struct pointsprings_setup **sprst) { if (*sprst != NULL) { for (size_t i = 0; i < (*sprst)->nsprings; i++) { if ((*sprst)->springs[i].laspr != NULL) { @@ -439,7 +439,7 @@ void pointsprings_setup_free(struct pointsprings_setup **sprst) { } -struct pointsprings_setup *pointsprings_setup_read_txt(const char *path) { +static struct pointsprings_setup *_pointsprings_setup_read_txt(const char *path) { FILE *fp; FOPEN_ELSE(fp, path, "r") { return NULL; @@ -449,7 +449,7 @@ struct pointsprings_setup *pointsprings_setup_read_txt(const char *path) { sprst = calloc(1, sizeof(struct pointsprings_setup)); if (fscanf(fp, "%zu", &sprst->nsprings) != 1) { - ERR_MSG("Wrong spring file format\n"); + ERR_MSG("Wrong pointsprings setup json format"); free(sprst); fclose(fp); return NULL; @@ -465,9 +465,9 @@ struct pointsprings_setup *pointsprings_setup_read_txt(const char *path) { for (size_t id = 0; id < sprst->nsprings; id++) { size_t c = fscanf(fp, "%zu %lf %lf %lf %lf", &naspr, &fkspr, &X0, &Y0, &Z0); if (c != 5) { - ERR_MSG("Wrong spring file format\n"); + ERR_MSG("First line for each pointspring must have 5 tokens"); fclose(fp); - pointsprings_setup_free(&sprst); + _pointsprings_setup_free(&sprst); return NULL; } @@ -482,9 +482,9 @@ struct pointsprings_setup *pointsprings_setup_read_txt(const char *path) { c = fscanf(fp, "%zu %s", &aid, name); if (c != 2) { - ERR_MSG("Wrong spring file format\n"); + ERR_MSG("Wrong pointsprings setup format"); fclose(fp); - pointsprings_setup_free(&sprst); + _pointsprings_setup_free(&sprst); return NULL; } @@ -497,10 +497,10 @@ struct pointsprings_setup *pointsprings_setup_read_txt(const char *path) { } -struct pointsprings_setup *pointsprings_setup_read_json(const json_t* root) +static struct pointsprings_setup *_pointsprings_setup_read_json(const json_t *root) { if (!json_is_array(root)) { - ERR_MSG("Pointsprings must be an array"); + ERR_MSG("Pointsprings json setup must be an array"); return NULL; } @@ -519,14 +519,14 @@ struct pointsprings_setup *pointsprings_setup_read_json(const json_t* root) "weight", &cur_spring->fkspr, "coords", &cur_spring->X0, &cur_spring->Y0, &cur_spring->Z0); if (code != 0) { - JSON_ERR_MSG(j_error, "Spring"); + JSON_ERR_MSG(j_error, "Couldn't parse json pointspring"); free(sprs); return NULL; } json_t* atoms = json_object_get(spring, "atoms"); if (!atoms || !json_is_array(atoms)) { - ERR_MSG("Can't read atoms"); + ERR_MSG("Can't read pointspring atoms from json"); free(sprs); return NULL; } @@ -602,7 +602,7 @@ void density_setup_free(struct density_setup **prms) { }*/ -void noe_setup_free(struct noe_setup **nmr) { +static void _noe_setup_free(struct noe_setup **nmr) { if (*nmr != NULL) { mol_noe_free((*nmr)->spec); free(*nmr); @@ -617,7 +617,7 @@ void noe_setup_free(struct noe_setup **nmr) { if ((line)[0] != '#') { \ (word) = strtok((line), " \t\n"); \ if ((word) == NULL || (word)[0] == '#') { \ - ERR_MSG("Line cannot be empty\n"); \ + ERR_MSG("Line cannot be empty"); \ } \ break; \ } \ @@ -625,7 +625,7 @@ void noe_setup_free(struct noe_setup **nmr) { } while(0) -struct noe_setup *noe_setup_read_txt(const char *sfile) { +static struct noe_setup *_noe_setup_read_txt(const char *sfile) { char line[512]; FILE *f; if (!(f = fopen(sfile, "r"))) { @@ -684,10 +684,10 @@ struct noe_setup *noe_setup_read_txt(const char *sfile) { } -struct noe_setup *noe_setup_read_json(json_t* root) { +static struct noe_setup *_noe_setup_read_json(json_t *root) { struct mol_noe* noe = mol_noe_from_json_object(root); if (!noe) { - ERR_MSG("Couldn't parse NOE setup"); + ERR_MSG("Couldn't parse NOE setup from json"); return NULL; } @@ -699,8 +699,8 @@ struct noe_setup *noe_setup_read_json(json_t* root) { json_error_t j_error; int code = json_unpack_ex(root, &j_error, 0, "{s:F, s:F}", "weight", &result->weight, "power", &result->power); if (code != 0) { - JSON_ERR_MSG(j_error, "Couldn't parse NOE setup"); - noe_setup_free(&result); + JSON_ERR_MSG(j_error, "Couldn't unpack 'weight' and 'power' in json NOE setup"); + _noe_setup_free(&result); return NULL; } @@ -708,13 +708,13 @@ struct noe_setup *noe_setup_read_json(json_t* root) { } -struct noe_setup *noe_setup_read_json_file(const char* file) { +static struct noe_setup *_noe_setup_read_json_file(const char *file) { json_t* root = read_json_file(file); if (!root) { return NULL; } - struct noe_setup* result = noe_setup_read_json(root); + struct noe_setup* result = _noe_setup_read_json(root); if (!result) { json_decref(root); return NULL; @@ -724,28 +724,28 @@ struct noe_setup *noe_setup_read_json_file(const char* file) { } -void energy_prm_free(struct energy_prm** prm, const size_t nstages) +void energy_prms_free(struct energy_prms **prms, size_t nstages) { - if (*prm != NULL) { + if (*prms != NULL) { for (size_t i = 0; i < nstages; i++) { - pairsprings_setup_free(&((*prm)->sprst_pairs)); - pointsprings_setup_free(&((*prm)->sprst_points)); - //density_setup_free(&((*prm)->fit_prms)); - noe_setup_free(&((*prm)->nmr)); - fixed_setup_free(&((*prm)->fixed)); + _pairsprings_setup_free(&((*prms)->sprst_pairs)); + _pointsprings_setup_free(&((*prms)->sprst_points)); + //density_setup_free(&((*prms)->fit_prms)); + _noe_setup_free(&((*prms)->nmr)); + _fixed_setup_free(&((*prms)->fixed)); } - free(*prm); - *prm = NULL; + free(*prms); + *prms = NULL; } } -bool energy_prm_read( - struct energy_prm **result_energy_prm, +bool energy_prms_populate_from_options( + struct energy_prms **result_energy_prm, size_t *result_nstages, - const struct options prms) + const struct options opts) { - struct energy_prm* all_stage_prms = calloc(1, sizeof(struct energy_prm)); + struct energy_prms* all_stage_prms = calloc(1, sizeof(struct energy_prms)); size_t nstages = 1; *result_energy_prm = NULL; @@ -762,112 +762,112 @@ bool energy_prm_read( all_stage_prms->fit_prms = NULL; all_stage_prms->fixed = NULL; - all_stage_prms->nsteps = prms.nsteps; + all_stage_prms->nsteps = opts.nsteps; - all_stage_prms->bonds = prms.bonds; - all_stage_prms->angles = prms.angles; - all_stage_prms->dihedrals = prms.dihedrals; - all_stage_prms->impropers = prms.impropers; - all_stage_prms->vdw = prms.vdw; - all_stage_prms->vdw03 = prms.vdw03; - all_stage_prms->gbsa = prms.gbsa; + all_stage_prms->bonds = opts.bonds; + all_stage_prms->angles = opts.angles; + all_stage_prms->dihedrals = opts.dihedrals; + all_stage_prms->impropers = opts.impropers; + all_stage_prms->vdw = opts.vdw; + all_stage_prms->vdw03 = opts.vdw03; + all_stage_prms->gbsa = opts.gbsa; - all_stage_prms->score_only = prms.score_only; - all_stage_prms->verbose = prms.verbosity; + all_stage_prms->score_only = opts.score_only; + all_stage_prms->verbose = opts.verbosity; - all_stage_prms->json_log_setup.print_step = prms.print_step; - all_stage_prms->json_log_setup.print_stage = prms.print_stage; - all_stage_prms->json_log_setup.print_noe_matrix = prms.print_noe_matrix; + all_stage_prms->json_log_setup.print_step = opts.print_step; + all_stage_prms->json_log_setup.print_stage = opts.print_stage; + all_stage_prms->json_log_setup.print_noe_matrix = opts.print_noe_matrix; - // setup default fixed - if ((int)(prms.fixed_pdb != NULL) + (int)(prms.fix_receptor) + (int)(prms.fix_ligand) > 1) { - ERR_MSG("Fixes can't be combined"); - energy_prm_free(&all_stage_prms, nstages); + // Setup global fixed atoms + if ((int)(opts.fixed_pdb != NULL) + (int)(opts.fix_receptor) + (int)(opts.fix_ligand) > 1) { + ERR_MSG("Different fixed atoms flags can't be combined"); + energy_prms_free(&all_stage_prms, nstages); return false; } - if (prms.rec_natoms == 0 && prms.lig_natoms == 0 && prms.separate) { - ERR_MSG("Natoms can't be zero in separate mode, populate them first"); - energy_prm_free(&all_stage_prms, nstages); + if (opts.rec_natoms == 0 && opts.lig_natoms == 0 && opts.separate) { + ERR_MSG("rec_natoms and lig_natoms can't be zero in rec/lig mode, populate them first"); + energy_prms_free(&all_stage_prms, nstages); return false; } - if (prms.fixed_pdb) { - all_stage_prms->fixed = fixed_setup_read_txt(prms.fixed_pdb); + if (opts.fixed_pdb) { + all_stage_prms->fixed = _fixed_setup_read_txt(opts.fixed_pdb); if (!all_stage_prms->fixed) { - ERR_MSG("SDF"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Couldn't parse fixed atoms from %s", opts.fixed_pdb); + energy_prms_free(&all_stage_prms, nstages); return false; } - } else if (prms.fix_receptor) { + } else if (opts.fix_receptor) { if (all_stage_prms->fixed) { - ERR_MSG("Cannot use"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Cannot use fix-receptor flag with another one"); + energy_prms_free(&all_stage_prms, nstages); return false; } - all_stage_prms->fixed = fixed_setup_atom_range(0, prms.rec_natoms); - } else if (prms.fix_ligand) { + all_stage_prms->fixed = _fixed_setup_atom_range(0, opts.rec_natoms); + } else if (opts.fix_ligand) { if (all_stage_prms->fixed) { - ERR_MSG("Cannot use"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Cannot use fix-ligand flag with another one"); + energy_prms_free(&all_stage_prms, nstages); return false; } - all_stage_prms->fixed = fixed_setup_atom_range(prms.rec_natoms, prms.rec_natoms + prms.lig_natoms); + all_stage_prms->fixed = _fixed_setup_atom_range(opts.rec_natoms, opts.rec_natoms + opts.lig_natoms); } - if (prms.pair_springs_txt) { - all_stage_prms->sprst_pairs = pairsprings_setup_read_txt(prms.pair_springs_txt); + if (opts.pair_springs_txt) { + all_stage_prms->sprst_pairs = _pairsprings_setup_read_txt(opts.pair_springs_txt); if (!all_stage_prms->sprst_pairs) { - ERR_MSG("SDF"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Couldn't parse pairsprings from %s", opts.pair_springs_txt); + energy_prms_free(&all_stage_prms, nstages); return false; } } - if (prms.point_springs_txt) { - all_stage_prms->sprst_points = pointsprings_setup_read_txt(prms.point_springs_txt); + if (opts.point_springs_txt) { + all_stage_prms->sprst_points = _pointsprings_setup_read_txt(opts.point_springs_txt); if (!all_stage_prms->sprst_points) { - ERR_MSG("SDF"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Couldn't parse pointsprings from %s", opts.point_springs_txt); + energy_prms_free(&all_stage_prms, nstages); return false; } } - if (prms.noe_json) { - all_stage_prms->nmr = noe_setup_read_json_file(prms.noe_json); + if (opts.noe_json) { + all_stage_prms->nmr = _noe_setup_read_json_file(opts.noe_json); if (!all_stage_prms->nmr) { - ERR_MSG("SDF"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Couldn't parse NOE from %s", opts.noe_json); + energy_prms_free(&all_stage_prms, nstages); return false; } } - if (prms.noe_txt) { + if (opts.noe_txt) { if (all_stage_prms->nmr) { - ERR_MSG("Cannot use"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Cannot use NOE txt and json formats at the same time"); + energy_prms_free(&all_stage_prms, nstages); return false; } - all_stage_prms->nmr = noe_setup_read_txt(prms.noe_txt); + all_stage_prms->nmr = _noe_setup_read_txt(opts.noe_txt); if (!all_stage_prms->nmr) { - ERR_MSG("SDF"); - energy_prm_free(&all_stage_prms, nstages); + ERR_MSG("Couldn't parse NOE from %s", opts.noe_txt); + energy_prms_free(&all_stage_prms, nstages); return false; } } /* - if (prms.density_json) { - all_stage_prms->fit_prms = density_setup_read_json_file(prms.density_json); + if (opts.density_json) { + all_stage_prms->fit_prms = density_setup_read_json_file(opts.density_json); if (!all_stage_prms->fit_prms) { ERR_MSG("SDF"); - energy_prm_free(&all_stage_prms, nstages); + energy_prms_free(&all_stage_prms, nstages); return false; } }*/ @@ -875,10 +875,10 @@ bool energy_prm_read( // read json json_t* setup = NULL; - if (prms.setup_json) { - json_t *setup_root = read_json_file(prms.setup_json); + if (opts.setup_json) { + json_t *setup_root = read_json_file(opts.setup_json); if (!setup_root) { - energy_prm_free(&all_stage_prms, nstages); + energy_prms_free(&all_stage_prms, nstages); return false; } @@ -886,7 +886,7 @@ bool energy_prm_read( if (setup && !json_is_array(setup)) { ERR_MSG("Key 'stages' must point to a dictionary"); json_decref(setup); - energy_prm_free(&all_stage_prms, nstages); + energy_prms_free(&all_stage_prms, nstages); return false; } } @@ -895,11 +895,11 @@ bool energy_prm_read( nstages = json_array_size(setup); // copy default params to each stage - struct energy_prm* buffer = calloc(nstages, sizeof(struct energy_prm)); + struct energy_prms* buffer = calloc(nstages, sizeof(struct energy_prms)); for (size_t i = 0; i < nstages; i++) { // TODO: need to recursive copy of setups, because later on the // pointers can be overwritten and never be freed - memcpy(buffer + i, all_stage_prms, sizeof(struct energy_prm)); + memcpy(buffer + i, all_stage_prms, sizeof(struct energy_prms)); } free(all_stage_prms); all_stage_prms = buffer; @@ -909,7 +909,7 @@ bool energy_prm_read( bool error = false; json_array_foreach(setup, stage_id, stage_desc) { - struct energy_prm* stage_prms = &all_stage_prms[stage_id]; + struct energy_prms* stage_prms = &all_stage_prms[stage_id]; bool stage_fix_rec = false; bool stage_fix_lig = false; @@ -932,47 +932,47 @@ bool energy_prm_read( "nsteps", &stage_prms->nsteps); if (code != 0) { - JSON_ERR_MSG(j_error, "Flags unpacking"); + JSON_ERR_MSG(j_error, "Couldn't parse stage flags in json"); error = true; break; } - if ((stage_fix_rec || stage_fix_lig) && !prms.separate) { - ERR_MSG("Is not separate"); + if ((stage_fix_rec || stage_fix_lig) && !opts.separate) { + ERR_MSG("You can't provide fix-? flags in a single file mode"); error = true; break; } json_t* stage_fixed = json_object_get(stage_desc, "fixed"); if ((int)(stage_fixed != NULL) + (int)(stage_fix_rec) + (int)(stage_fix_lig) > 1) { - ERR_MSG("Fix can't be combined"); + ERR_MSG("Different fixed atoms flags can't be combined"); error = true; break; } // Read fixed atoms if (stage_fixed) { - fixed_setup_free(&stage_prms->fixed); - stage_prms->fixed = fixed_setup_read_json(stage_fixed); + _fixed_setup_free(&stage_prms->fixed); + stage_prms->fixed = _fixed_setup_read_json(stage_fixed); if (!stage_prms->fixed) { - ERR_MSG("Can't read fix from json"); + ERR_MSG("Couldn't parse fixed atoms from %s", opts.setup_json); error = true; break; } } else if (stage_fix_rec) { - fixed_setup_free(&stage_prms->fixed); - stage_prms->fixed = fixed_setup_atom_range(0, prms.rec_natoms); + _fixed_setup_free(&stage_prms->fixed); + stage_prms->fixed = _fixed_setup_atom_range(0, opts.rec_natoms); } else if (stage_fix_lig) { - fixed_setup_free(&stage_prms->fixed); - stage_prms->fixed = fixed_setup_atom_range(prms.rec_natoms, prms.rec_natoms + prms.lig_natoms); + _fixed_setup_free(&stage_prms->fixed); + stage_prms->fixed = _fixed_setup_atom_range(opts.rec_natoms, opts.rec_natoms + opts.lig_natoms); } // Pairsprings json_t* stage_pairsprings = json_object_get(stage_desc, "pairsprings"); if (stage_pairsprings) { - stage_prms->sprst_pairs = pairsprings_setup_read_json(stage_pairsprings); + stage_prms->sprst_pairs = _pairsprings_setup_read_json(stage_pairsprings); if (!stage_prms->sprst_pairs) { - ERR_MSG(""); + ERR_MSG("Couldn't parse pairsprings from %s", opts.setup_json); error = true; break; } @@ -981,8 +981,9 @@ bool energy_prm_read( // Pointsprings json_t* stage_pointsprings = json_object_get(stage_desc, "pointsprings"); if (stage_pointsprings) { - stage_prms->sprst_points = pointsprings_setup_read_json(stage_pointsprings); + stage_prms->sprst_points = _pointsprings_setup_read_json(stage_pointsprings); if (!stage_prms->sprst_points) { + ERR_MSG("Couldn't parse poinsprings from %s", opts.setup_json); error = true; break; } @@ -1001,8 +1002,9 @@ bool energy_prm_read( // NOE json_t* stage_noe = json_object_get(stage_desc, "noe"); if (stage_noe) { - stage_prms->nmr = noe_setup_read_json(stage_noe); + stage_prms->nmr = _noe_setup_read_json(stage_noe); if (!stage_prms->nmr) { + ERR_MSG("Couldn't parse NOE from %s", opts.setup_json); error = true; break; } @@ -1012,7 +1014,7 @@ bool energy_prm_read( json_decref(setup); if (error) { - energy_prm_free(&all_stage_prms, nstages); + energy_prms_free(&all_stage_prms, nstages); return false; } } @@ -1022,82 +1024,3 @@ bool energy_prm_read( return true; } - - -void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een) { - size_t i, i1, i2, nat; - double xtot, ytot, ztot, fk; - struct mol_vector3 g; - - for (i = 0; i < sprst->nsprings; i++) { - nat = sprst->springs[i].naspr; - - if (nat > 0) { - xtot = 0.0; - ytot = 0.0; - ztot = 0.0; - - for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].laspr[i1]; - xtot += ag->coords[i2].X; - ytot += ag->coords[i2].Y; - ztot += ag->coords[i2].Z; - } - - xtot = xtot / nat - sprst->springs[i].X0; - ytot = ytot / nat - sprst->springs[i].Y0; - ztot = ztot / nat - sprst->springs[i].Z0; - - fk = sprst->springs[i].fkspr; - (*een) += fk * (xtot * xtot + ytot * ytot + ztot * ztot); - - fk = 2 * fk / nat; - g.X = xtot * fk; - g.Y = ytot * fk; - g.Z = ztot * fk; - - for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].laspr[i1]; - MOL_VEC_SUB(ag->gradients[i2], ag->gradients[i2], g); - } - } - } -} - - -void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een) { - size_t i, i1, i2; - double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; - struct mol_vector3 g; - - for (i = 0; i < sprst->nsprings; i++) { - ln = sprst->springs[i].lnspr; - er = sprst->springs[i].erspr; - fk = sprst->springs[i].fkspr / 2.0; - - i1 = sprst->springs[i].laspr[0]; - i2 = sprst->springs[i].laspr[1]; - - xtot = ag->coords[i2].X - ag->coords[i1].X; - ytot = ag->coords[i2].Y - ag->coords[i1].Y; - ztot = ag->coords[i2].Z - ag->coords[i1].Z; - - d2 = xtot * xtot + ytot * ytot + ztot * ztot; - d = sqrt(d2); - - delta = fabs(d - ln); - delta = (delta > er) ? ((delta - er) * delta / (d - ln)) : 0.0; - - //(*een) += fk * (d - ln) * (d - ln); - (*een) += fk * delta * delta; - //coef = fk * 2 * (1.0 - ln / d); - coef = fk * 2.0 * delta / d; - - g.X = -coef * xtot; - g.Y = -coef * ytot; - g.Z = -coef * ztot; - - MOL_VEC_SUB(ag->gradients[i1], ag->gradients[i1], g); - MOL_VEC_ADD(ag->gradients[i2], ag->gradients[i2], g); - } -} \ No newline at end of file diff --git a/src/potentials.h b/src/setup.h similarity index 78% rename from src/potentials.h rename to src/setup.h index 95cd602..7e5e4b2 100644 --- a/src/potentials.h +++ b/src/setup.h @@ -1,5 +1,5 @@ -#ifndef ENERGYMIN_POTENTIALS_H -#define ENERGYMIN_POTENTIALS_H +#ifndef ENERGYMIN_SETUP_H +#define ENERGYMIN_SETUP_H #include #include @@ -20,7 +20,7 @@ struct json_log_setup { bool print_noe_matrix; }; -struct energy_prm { +struct energy_prms { struct mol_atom_group *ag; struct agsetup *ag_setup; struct acesetup *ace_setup; @@ -90,18 +90,14 @@ struct fixed_setup { }; -bool energy_prm_read( - struct energy_prm **result_energy_prm, +bool energy_prms_populate_from_options( + struct energy_prms **result_energy_prm, size_t *result_nstages, - const struct options prms); + const struct options opts); -void energy_prm_free(struct energy_prm** prm, size_t nstages); +void energy_prms_free(struct energy_prms **prms, size_t nstages); -struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *prms); +struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *opts); -void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een); -void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een); - - -#endif //ENERGYMIN_POTENTIALS_H \ No newline at end of file +#endif //ENERGYMIN_SETUP_H \ No newline at end of file diff --git a/test/test_all.c b/test/test_all.c index b1e196a..62fa02f 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -2,7 +2,7 @@ #include #include "parse_options.h" -#include "potentials.h" +#include "setup.h" // These functions are defined only in newer versions of check @@ -57,71 +57,71 @@ START_TEST(test_check_getopt_success) switch (_i) { case 0: - opts = parse_args(3, (char *[]) {"sham", "sham", "-h"}, &error); + opts = options_populate_from_argv(3, (char *[]) {"sham", "sham", "-h"}, &error); ck_assert(!error); ck_assert(opts.help); break; case 1: - opts = parse_args(10, (char *[]) {"sham", "sham", - "--pdb", "test.pdb", - "--psf", "test.psf", - "--rtf", "test.rtf", - "--prm", "test.prm"}, &error); + opts = options_populate_from_argv(10, (char *[]) {"sham", "sham", + "--pdb", "test.pdb", + "--psf", "test.psf", + "--rtf", "test.rtf", + "--prm", "test.prm"}, &error); ck_assert(!error); ck_assert_str_eq(opts.pdb, "test.pdb"); break; case 2: - opts = parse_args(4, (char *[]) {"sham", "sham", - "--json", "test.json"}, &error); + opts = options_populate_from_argv(4, (char *[]) {"sham", "sham", + "--json", "test.json"}, &error); ck_assert(!error); ck_assert_str_eq(opts.json, "test.json"); break; case 3: - opts = parse_args(18, (char *[]) {"sham", "sham", - "--rec-pdb", "test.pdb", - "--rec-psf", "test.psf", - "--rec-rtf", "test.rtf", - "--rec-prm", "test.prm", - "--lig-pdb", "test.pdb", - "--lig-psf", "test.psf", - "--lig-rtf", "test.rtf", - "--lig-prm", "test.prm"}, &error); + opts = options_populate_from_argv(18, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-psf", "test.psf", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-rtf", "test.rtf", + "--lig-prm", "test.prm"}, &error); ck_assert(!error); ck_assert_str_eq(opts.rec_pdb, "test.pdb"); ck_assert_str_eq(opts.lig_pdb, "test.pdb"); ck_assert(opts.separate); break; case 4: - opts = parse_args(12, (char *[]) {"sham", "sham", - "--rec-pdb", "test.pdb", - "--rec-psf", "test.psf", - "--rec-rtf", "test.rtf", - "--rec-prm", "test.prm", - "--lig-json", "test.json"}, &error); + opts = options_populate_from_argv(12, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-psf", "test.psf", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-json", "test.json"}, &error); ck_assert(!error); ck_assert_str_eq(opts.rec_pdb, "test.pdb"); ck_assert_str_eq(opts.lig_json, "test.json"); ck_assert(opts.separate); break; case 5: - opts = parse_args(12, (char *[]) {"sham", "sham", - "--rec-json", "test.json", - "--lig-pdb", "test.pdb", - "--lig-psf", "test.psf", - "--lig-rtf", "test.rtf", - "--lig-prm", "test.prm"}, &error); + opts = options_populate_from_argv(12, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-rtf", "test.rtf", + "--lig-prm", "test.prm"}, &error); ck_assert(!error); ck_assert_str_eq(opts.rec_json, "test.json"); ck_assert_str_eq(opts.lig_pdb, "test.pdb"); ck_assert(opts.separate); break; case 6: - opts = parse_args(11, (char *[]) {"sham", "sham", - "--rec-json", "test.json", - "--lig-json", "test.json", - "--nsteps", "500", - "--pair-springs-txt", "test", - "--fix-receptor"}, &error); + opts = options_populate_from_argv(11, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-json", "test.json", + "--nsteps", "500", + "--pair-springs-txt", "test", + "--fix-receptor"}, &error); ck_assert(!error); ck_assert_str_eq(opts.rec_json, "test.json"); ck_assert_str_eq(opts.lig_json, "test.json"); @@ -131,8 +131,8 @@ START_TEST(test_check_getopt_success) ck_assert(!opts.fix_ligand); break; case 7: - opts = parse_args(4, (char *[]) {"sham", "sham", - "--setup-json", "setup_global.json"}, &error); + opts = options_populate_from_argv(4, (char *[]) {"sham", "sham", + "--setup-json", "setup_global.json"}, &error); ck_assert(!error); ck_assert_str_eq(opts.json, "test.json"); ck_assert_str_eq(opts.pdb, "test.pdb"); @@ -151,53 +151,53 @@ START_TEST(test_check_getopt_failure) switch (_i) { case 0: - parse_args(3, (char *[]) {"sham", "sham", "-a"}, &error); + options_populate_from_argv(3, (char *[]) {"sham", "sham", "-a"}, &error); ck_assert(error); break; case 1: - parse_args(8, (char *[]) {"sham", "sham", - "--pdb", "test.pdb", - "--rtf", "test.rtf", - "--prm", "test.prm"}, &error); + options_populate_from_argv(8, (char *[]) {"sham", "sham", + "--pdb", "test.pdb", + "--rtf", "test.rtf", + "--prm", "test.prm"}, &error); ck_assert(error); break; case 2: - parse_args(6, (char *[]) {"sham", "sham", - "--json", "test.json", - "--rec-pdb", "test"}, &error); + options_populate_from_argv(6, (char *[]) {"sham", "sham", + "--json", "test.json", + "--rec-pdb", "test"}, &error); ck_assert(error); break; case 3: - parse_args(6, (char *[]) {"sham", "sham", - "--json", "test.json", - "--nsteps", "-1"}, &error); + options_populate_from_argv(6, (char *[]) {"sham", "sham", + "--json", "test.json", + "--nsteps", "-1"}, &error); ck_assert(error); break; case 4: - parse_args(10, (char *[]) {"sham", "sham", - "--rec-pdb", "test.pdb", - "--rec-rtf", "test.rtf", - "--rec-prm", "test.prm", - "--lig-json", "test.json"}, &error); + options_populate_from_argv(10, (char *[]) {"sham", "sham", + "--rec-pdb", "test.pdb", + "--rec-rtf", "test.rtf", + "--rec-prm", "test.prm", + "--lig-json", "test.json"}, &error); ck_assert(error); break; case 5: - parse_args(10, (char *[]) {"sham", "sham", - "--rec-json", "test.json", - "--lig-pdb", "test.pdb", - "--lig-psf", "test.psf", - "--lig-prm", "test.prm"}, &error); + options_populate_from_argv(10, (char *[]) {"sham", "sham", + "--rec-json", "test.json", + "--lig-pdb", "test.pdb", + "--lig-psf", "test.psf", + "--lig-prm", "test.prm"}, &error); ck_assert(error); break; case 6: - parse_args(5, (char *[]) {"sham", "sham", - "--json", "test.json", - "--fix-receptor"}, &error); + options_populate_from_argv(5, (char *[]) {"sham", "sham", + "--json", "test.json", + "--fix-receptor"}, &error); ck_assert(error); break; case 7: - parse_args(4, (char *[]) {"sham", "sham", - "--setup-json", "setup_global_unknown_args.json"}, &error); + options_populate_from_argv(4, (char *[]) {"sham", "sham", + "--setup-json", "setup_global_unknown_args.json"}, &error); ck_assert(error); break; } @@ -213,7 +213,7 @@ START_TEST(test_mol_atom_group_list_from_options) switch (_i) { case 0: // Pass single pdb - opts = get_defaut_options(); + opts = options_get_default(); opts.pdb = "BACE_4_rec.pdb"; opts.psf = "BACE_4_rec.psf"; opts.prm = "BACE_4_rec_parm.prm"; @@ -229,7 +229,7 @@ START_TEST(test_mol_atom_group_list_from_options) case 1: // Pass merge rec and lig - opts = get_defaut_options(); + opts = options_get_default(); opts.rec_pdb = "BACE_4_rec.pdb"; opts.rec_psf = "BACE_4_rec.psf"; opts.rec_prm = "BACE_4_rec_parm.prm"; @@ -247,7 +247,7 @@ START_TEST(test_mol_atom_group_list_from_options) case 2: // Pass single json - opts = get_defaut_options(); + opts = options_get_default(); opts.json = "BACE_4_lig.json"; ag_list = mol_atom_group_list_from_options(&opts); @@ -260,7 +260,7 @@ START_TEST(test_mol_atom_group_list_from_options) case 3: // Fail trying to merge geometry from json and pdb with different atom numbers - opts = get_defaut_options(); + opts = options_get_default(); opts.pdb = "BACE_4_rec.pdb"; opts.json = "BACE_4_lig.json"; opts.separate = false; @@ -271,7 +271,7 @@ START_TEST(test_mol_atom_group_list_from_options) case 4: // Fail with missing prm file - opts = get_defaut_options(); + opts = options_get_default(); opts.pdb = "BACE_4_rec.pdb"; opts.psf = "BACE_4_rec.psf"; opts.rtf = "BACE_4_rec_pdbamino.rtf"; @@ -282,7 +282,7 @@ START_TEST(test_mol_atom_group_list_from_options) case 5: // Pass with missing prms and score_only flag set - opts = get_defaut_options(); + opts = options_get_default(); opts.pdb = "BACE_4_rec.pdb"; opts.score_only = true; @@ -292,7 +292,7 @@ START_TEST(test_mol_atom_group_list_from_options) case 6: // Pass with two pdb models and json geometry - opts = get_defaut_options(); + opts = options_get_default(); opts.pdb = "BACE_4_lig_2models_close.pdb"; opts.json = "BACE_4_lig.json"; @@ -303,7 +303,7 @@ START_TEST(test_mol_atom_group_list_from_options) /*case 6: // Fail with wrong prm file (this produces segfault, because of buggy mol_atom_group_read_geometry) - opts = get_defaut_options(); + opts = options_get_default(); opts.pdb = "BACE_4_rec.pdb"; opts.psf = "BACE_4_rec.pdb"; opts.prm = "BACE_4_rec_parm.prm"; @@ -320,72 +320,72 @@ START_TEST(test_mol_atom_group_list_from_options) START_TEST(test_energy_prm_from_flags) { struct options opts; - struct energy_prm* prms; + struct energy_prms* prms; size_t nstages; switch (_i) { case 0: // Pass fix rec - opts = get_defaut_options(); + opts = options_get_default(); opts.separate = true; opts.rec_natoms = 1000; opts.lig_natoms = 100; opts.fix_receptor = true; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms[0].fixed->natoms, 1000); _compare_arrays_size_t(prms[0].fixed->atoms, (size_t[]){0, 1, 2, 3, 4}, 5); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 1: // Pass fix lig - opts = get_defaut_options(); + opts = options_get_default(); opts.separate = true; opts.rec_natoms = 1000; opts.lig_natoms = 100; opts.fix_ligand = true; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms[0].fixed->natoms, 100); _compare_arrays_size_t(prms[0].fixed->atoms, (size_t[]){1000, 1001, 1002, 1003, 1004}, 5); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 2: // Fail fix lig and rec - opts = get_defaut_options(); + opts = options_get_default(); opts.separate = true; opts.rec_natoms = 1000; opts.lig_natoms = 100; opts.fix_ligand = true; opts.fix_receptor = true; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); break; case 3: // Pass with fix pdb - opts = get_defaut_options(); + opts = options_get_default(); opts.fixed_pdb = "BACE_4_rec.pdb"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->fixed->natoms, 3598); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 4: // Pass with pointsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.point_springs_txt = "pointsprings_xl.txt"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->sprst_points->nsprings, 1); ck_assert_int_eq(prms->sprst_points->springs[0].naspr, 24); @@ -400,24 +400,24 @@ START_TEST(test_energy_prm_from_flags) (size_t[]){3598, 3599, 3600, 3601, 3602, 3603}, 6); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 5: // Fail with wrong pointsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.point_springs_txt = "pointsprings_xl_invalid.txt"; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); break; case 6: // Pass with pairsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.pair_springs_txt = "pairsprings.txt"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->sprst_pairs->nsprings, 1); ck_assert_double_eq_tol(prms->sprst_pairs->springs->fkspr, 5.0, 10e-3); @@ -429,30 +429,30 @@ START_TEST(test_energy_prm_from_flags) (size_t[]){101, 3598}, 2); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 7: // Fail with pairsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.pair_springs_txt = "pairsprings_invalid.txt"; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); break; case 8: // Pass with NOE - opts = get_defaut_options(); + opts = options_get_default(); opts.noe_json = "noe.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_double_eq_tol(prms->nmr->weight, 1000, 10e-3); ck_assert_double_eq_tol(prms->nmr->power, 1. / 6., 10e-3); ck_assert_int_eq(prms->nmr->spec->size, 2); ck_assert_double_eq_tol(prms->nmr->spec->exp[1], -0.074589, 10e-3); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; default: @@ -464,115 +464,115 @@ START_TEST(test_energy_prm_from_flags) START_TEST(test_energy_prm_from_json) { struct options opts; - struct energy_prm* prms; + struct energy_prms* prms; size_t nstages; switch (_i) { case 0: // Pass fix rec - opts = get_defaut_options(); + opts = options_get_default(); opts.separate = true; opts.rec_natoms = 1000; opts.setup_json = "setup_fixed_flag.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->fixed->natoms, opts.rec_natoms); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 1: // Fail fix rec - opts = get_defaut_options(); + opts = options_get_default(); opts.separate = false; opts.setup_json = "setup_fixed_flag.json"; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); break; case 2: // Pass fix rec - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_fixed_json.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->fixed->natoms, 7); _compare_arrays_size_t((size_t[]){0,1,2,3,4,8,2000}, prms->fixed->atoms, 7); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 3: // Pass pairsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_pairsprings.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 4: // Fail pairsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_pairsprings_invalid.json"; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 5: // Pass pointsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_pointsprings.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 6: // Fail pointsprings - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_pointsprings_invalid.json"; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 7: // Pass noe - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_noe.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms[0].nmr->spec->size, 2); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 8: // Fail noe - opts = get_defaut_options(); + opts = options_get_default(); opts.setup_json = "setup_noe_invalid.json"; - ck_assert(!energy_prm_read(&prms, &nstages, opts)); + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_null(prms); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; case 9: // Pass generic setup - opts = get_defaut_options(); + opts = options_get_default(); opts.separate = true; opts.rec_natoms = 1000; opts.lig_natoms = 100; opts.setup_json = "setup_all.json"; - ck_assert(energy_prm_read(&prms, &nstages, opts)); + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(nstages, 3); @@ -601,7 +601,7 @@ START_TEST(test_energy_prm_from_json) ck_assert_int_eq(prms[2].sprst_points->springs[0].laspr[3], 4); ck_assert_int_eq(prms[1].sprst_pairs->springs[0].laspr[1], 5); - energy_prm_free(&prms, nstages); + energy_prms_free(&prms, nstages); break; default: From 8404d522cbfa70ad896655cefbc797cf0043662c Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Sun, 10 May 2020 01:10:06 -0400 Subject: [PATCH 10/31] Cosmetic changes --- src/energy.c | 18 +++++----- src/energy.h | 30 ++++++++++++++++ src/minimize.c | 17 ++++++--- src/parse_options.c | 82 ------------------------------------------ src/parse_options.h | 73 +++++++++++++++++++++++-------------- src/setup.c | 56 ++++++++++++++--------------- src/setup.h | 88 ++++++++++++++++++++++++++++----------------- test/test_all.c | 18 +++++----- 8 files changed, 190 insertions(+), 192 deletions(-) diff --git a/src/energy.c b/src/energy.c index b4c960b..5100aca 100644 --- a/src/energy.c +++ b/src/energy.c @@ -156,7 +156,7 @@ void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_ struct mol_vector3 g; for (i = 0; i < sprst->nsprings; i++) { - nat = sprst->springs[i].naspr; + nat = sprst->springs[i].natoms; if (nat > 0) { xtot = 0.0; @@ -164,7 +164,7 @@ void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_ ztot = 0.0; for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].laspr[i1]; + i2 = sprst->springs[i].atoms[i1]; xtot += ag->coords[i2].X; ytot += ag->coords[i2].Y; ztot += ag->coords[i2].Z; @@ -174,7 +174,7 @@ void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_ ytot = ytot / nat - sprst->springs[i].Y0; ztot = ztot / nat - sprst->springs[i].Z0; - fk = sprst->springs[i].fkspr; + fk = sprst->springs[i].weight; (*een) += fk * (xtot * xtot + ytot * ytot + ztot * ztot); fk = 2 * fk / nat; @@ -183,7 +183,7 @@ void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_ g.Z = ztot * fk; for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].laspr[i1]; + i2 = sprst->springs[i].atoms[i1]; MOL_VEC_SUB(ag->gradients[i2], ag->gradients[i2], g); } } @@ -197,12 +197,12 @@ void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_gr struct mol_vector3 g; for (i = 0; i < sprst->nsprings; i++) { - ln = sprst->springs[i].lnspr; - er = sprst->springs[i].erspr; - fk = sprst->springs[i].fkspr / 2.0; + ln = sprst->springs[i].length; + er = sprst->springs[i].error; + fk = sprst->springs[i].weight / 2.0; - i1 = sprst->springs[i].laspr[0]; - i2 = sprst->springs[i].laspr[1]; + i1 = sprst->springs[i].atoms[0]; + i2 = sprst->springs[i].atoms[1]; xtot = ag->coords[i2].X - ag->coords[i1].X; ytot = ag->coords[i2].Y - ag->coords[i1].Y; diff --git a/src/energy.h b/src/energy.h index 3af26c7..c0fb531 100644 --- a/src/energy.h +++ b/src/energy.h @@ -1,3 +1,7 @@ +/** + * \file Functions for energy calculation + */ + #ifndef ENERGYMIN_ENERGY_H #define ENERGYMIN_ENERGY_H @@ -6,6 +10,16 @@ #include "setup.h" +/** + * Master function which computes the enery terms and the gradients + * + * @param prm Energy setup "struct energy_prms" from setup.h + * @param array Internal use + * @param gradient Atom group gradient to fill + * @param array_size Internal use + * @param step Minimization step size + * @return Energy value + */ lbfgsfloatval_t energy_func( void *restrict prm, const double *restrict array, @@ -13,8 +27,24 @@ lbfgsfloatval_t energy_func( const int array_size, const lbfgsfloatval_t step); + +/** + * Compute pointwise distance restraints + * + * @param sprst Setup + * @param ag Atom group to fill in the gradients + * @param een Result is added to this variable + */ void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een); + +/** + * Compute pairwise distance restraints + * + * @param sprst Setup + * @param ag Atom group to fill in the gradients + * @param een Result is added to this variable + */ void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een); diff --git a/src/minimize.c b/src/minimize.c index a28e77b..9e10b45 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -106,11 +106,18 @@ int main(int argc, char **argv) { stage_prms->ag_setup = &ag_setup; // Minimize energy - mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); + if (!stage_prms->score_only) { + stage_prms->json_log = NULL; + + mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); + + // Record energy every time it was evaluated + if (stage_prms->json_log_setup.print_step) { + json_object_set_new(json_log_stage, "steps", stage_prms->json_log); + } else { + json_decref(stage_prms->json_log); + } - // Record energy every time it was evaluated - if (stage_prms->json_log_setup.print_step) { - json_object_set_new(json_log_stage, "steps", stage_prms->json_log); stage_prms->json_log = NULL; } @@ -136,7 +143,7 @@ int main(int argc, char **argv) { INFO_MSG("Finished model %zu", modeli); } - if (!json_dump_file(json_log_total, opts.out_json, JSON_INDENT(4))) { + if (json_dump_file(json_log_total, opts.out_json, JSON_INDENT(4)) != 0) { ERR_MSG("Couldn't write to file %s", opts.out_json); return EXIT_FAILURE; } diff --git a/src/parse_options.c b/src/parse_options.c index 24b4be1..0bf2727 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -419,87 +419,5 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo void usage_message(char *const *argv) { fprintf(stderr, "Usage msg\n"); - return; - printf("\nUsage %s [ options ]\n\n", argv[0]); - printf("\t--prm ------------------ Parameter file (required)\n" - "\t--rtf ------------------ Topology file (required)\n" - "\t--pdb ------------------ Full molecule pdb file (can contain multiple models)\n" - "\t--psf ------------------ Full molecule psf file\n" - "\t--json ----------------- Full molecule json file\n" - "\t--rec-pdb -------------- Receptor pdb file\n" - "\t--rec-psf -------------- Receptor psf file\n" - "\t--rec-json ------------- Receptor json file\n" - "\t--lig-pdb -------------- Ligand pdb file\n" - "\t--lig-psf -------------- Ligand psf file\n" - "\t--lig-json ------------- Ligand json file\n" - "\t--out ------------------ Minimized structure (default: min.pdb)\n" - "\t--protocol ------------- Protocol file\n" - "\t--torsions-off --------- Turns torsional forces off\n" - "\t--fitting-pdb ---------- PDB file for atomic density fitting\n" - "\t--fitting-weight ------- Weight of atomic density fit in energy function\n" - "\t--noe-params ----------- File with 2D NOE spectrum params\n" - "\t--pairsprings ---------- File with pairwise distance restraints\n" - "\t--pointsprings --------- File with point distance restraints\n" - "\t--score_only ----------- Don't run minimization, just score the models\n" - "\t--nsteps --------------- Number of minimization steps (default: 1000)\n" - "\t--gbsa ----------------- Turn GBSA on (default: off)\n" - "\t--json-log ------------- Log starting and final energy terms to specified json file\n" - "\t--help ----------------- This message\n\n" - - "Protocol file format:\n\n" - "\t> number_of_steps1 fixed_atoms_file1 pair_springs_file1 point_springs_file1\n" - "\t> number_of_steps2 fixed_atoms_file2 pair_springs_file2 point_springs_file2\n" - "\t> ...\n\n" - - "Pairwise springs file format:\n\n" - "\t> number_of_springs\n" - "\t> length absolute_error force_constant atom1_id(PDB) atom1_name atom2_id(PDB) atom2_name\n" - "\t> ...\n\n" - - "Point springs (attached to a single point) file format:\n\n" - "\t> number_of_springs\n" - "\t> number_of_atoms_attached force_constant X0 Y0 Z0\n" - "\t> atom1_id(from PDB) atom1_name\n" - "\t> atom2_id(from PDB) atom2_name\n" - "\t> ...\n\n" - - "NOE params file format (lines starting with # are skipped):\n" - "\tAtom group file path\n" - "\tExperimental matrix file path\n" - "\tFrequency (in GHz): ex. 0.00006\n" - "\tCorrelation time (in nanoseconds): ex. 0.1\n" - "\tMixing time (in seconds): ex. 0.3\n" - "\tDistance cutoff for atom groups (Angstroms): ex. 10\n" - "\tMask everything except for the peaks on experimental matrix, when computing NMR energy (on/off)\n" - "\tNMR energy weight in energy function\n\n" - - "\tNOE params file example:\n" - "\t> # groups file\n" - "\t> 104.fake_groups\n" - "\t> # experimental matrix\n" - "\t> 104.fake_mat\n" - "\t> # frequency\n" - "\t> 0.00006\n" - "\t> # cor time\n" - "\t> 0.1\n" - "\t> # mix time\n" - "\t> 0.3\n" - "\t> # distance cutoff\n" - "\t> 1000\n" - "\t> # mask\n" - "\t> off\n" - "\t> # nmr energy weight\n" - "\t> 100.0\n\n" - - "Fixed atoms file format: simply a slice of pdb containing fixed atoms\n\n" - - "If you wish to skip any of the files in the protocol file,\n" - "just replace it with a dot \".\". For instance if no fixed atoms\n" - "are needed then the line should be \n" - "\t1000 . spring_pairs spring_points\n\n" - - "WARNING: If ligand and receptor are specified separately,\n" - "\tthen ligand atom ids need to be increased by the number of receptor atoms.\n" - "\tConsistency is verified by comparing atom names.\n\n"); } diff --git a/src/parse_options.h b/src/parse_options.h index 82891b5..53c997e 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -1,6 +1,6 @@ -// -// Created by Mikhail Ignatov on 2020-05-02. -// +/** + * \file Parsing command line arguments + */ #ifndef ENERGYMIN_PARSE_OPTIONS_H #define ENERGYMIN_PARSE_OPTIONS_H @@ -10,24 +10,36 @@ #include +/** + * Parsed command line options + * + * Structure can be passed using two modes: single file mode or rec/lig mode + * Rec/lig mode is used when structure is passed using rec-* lig-* arguments, and + * single file mode is enabled for the opposite. + * + * All flags in this structure can be filled by passing a file to --setup-json, + * so this one argument is enough to specify all minimization parameters. + */ struct options { - char* out_pdb; - char* out_json; + char* out_pdb; ///< Where to write the minimized molecule(s) + char* out_json; ///< Log file with energy terms - int print_step; - int print_stage; - int print_noe_matrix; + int print_step; ///< Log energies for every step + int print_stage; ///< Log energies for every stage + int print_noe_matrix; ///< Log NOE matrix is NOE calculation is on - bool separate; - size_t rec_natoms; - size_t lig_natoms; + bool separate; ///< Receptor and ligand provided separately + size_t rec_natoms; ///< Number of atoms in receptor (set to zero in single file mode) + size_t lig_natoms; ///< Number of atoms in ligand (set to zero in single file mode) + ///< Parameters for single file mode char* psf; char* prm; char* rtf; char* pdb; char* json; + ///< Parameters for rec/lig mode char* rec_psf; char* rec_prm; char* rec_rtf; @@ -40,22 +52,24 @@ struct options { char* lig_pdb; char* lig_json; - char* fixed_pdb; + char* fixed_pdb; ///< PDB file with fixed atoms - char* pair_springs_txt; - char* point_springs_txt; + char* pair_springs_txt; ///< Text file setup for pairwise restraints + char* point_springs_txt; ///< Text file setup for pointwise restraints - char* noe_txt; - char* noe_json; + char* noe_txt; ///< Text file setup for NOE + char* noe_json; ///< Json file setup for NOE - char* density_json; + char* density_json; ///< Json file setup for density fitting - char* setup_json; - json_t* setup_json_root; + char* setup_json; ///< This file duplicates all the other options present in this structure. It also allows for +///< multistage minimization, where each stage can have different minimization terms + json_t* setup_json_root; ///< Contents of setup_json. This has to persist, if setup_json was used, othewise +///< all char* options in this structure will be erased - int nsteps; + int nsteps; ///< Number of minimization steps - int bonds; + int bonds; ///< 1 - on, 0 - off int angles; int dihedrals; int impropers; @@ -63,18 +77,25 @@ struct options { int vdw03; int gbsa; - int fix_receptor; - int fix_ligand; - int score_only; + int fix_receptor; ///< Works only rec/lig mode + int fix_ligand; ///< Works only rec/lig mode + int score_only; ///< Score without doing minimization - int verbosity; + int verbosity; ///< Levels 0 - QUIET, 1 - ERROR, 2 - WARNING, 3- INFO, 4 - DEBUG - int help; + int help; ///< Print help and exit }; struct options options_get_default(void); +/** + * Fill options structure from command line args + * @param argc Main function argc + * @param argv Main function argv + * @param error True if error occured + * @return Parsed options + */ struct options options_populate_from_argv(const int argc, char *const *argv, bool *error); void options_free(struct options opts); diff --git a/src/setup.c b/src/setup.c index 8d83f90..f4fa0e5 100644 --- a/src/setup.c +++ b/src/setup.c @@ -309,9 +309,9 @@ static struct pairsprings_setup *_pairsprings_setup_read_txt(const char *path) { while (id < sprst->nsprings) { size_t c = fscanf(fp, "%lf %lf %lf %zu %s %zu %s", - &sprs[id].lnspr, - &sprs[id].erspr, - &sprs[id].fkspr, + &sprs[id].length, + &sprs[id].error, + &sprs[id].weight, &aid1, name1, &aid2, @@ -325,8 +325,8 @@ static struct pairsprings_setup *_pairsprings_setup_read_txt(const char *path) { return NULL; } - sprs[id].laspr[0] = aid1 - 1; - sprs[id].laspr[1] = aid2 - 1; + sprs[id].atoms[0] = aid1 - 1; + sprs[id].atoms[1] = aid2 - 1; id++; } @@ -355,11 +355,11 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root int result = json_unpack_ex( spring, &j_error, 0, "{s:F, s:F, s:F, s:i, s:i}", - "length", &spring_set[counter].lnspr, - "error", &spring_set[counter].erspr, - "weight", &spring_set[counter].fkspr, - "atom1", &spring_set[counter].laspr[0], - "atom2", &spring_set[counter].laspr[1]); + "length", &spring_set[counter].length, + "error", &spring_set[counter].error, + "weight", &spring_set[counter].weight, + "atom1", &spring_set[counter].atoms[0], + "atom2", &spring_set[counter].atoms[1]); if (result != 0) { JSON_ERR_MSG(j_error, "Wrong pairspring setup json format"); @@ -376,7 +376,7 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root error = true; break; } - spring_set[counter].lnspr = dv; + spring_set[counter].length = dv; value = json_object_get(spring, "error"); if (!value || !(dv = json_number_value(value))) { @@ -384,7 +384,7 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root error = true; break; } - spring_set[counter].erspr= dv; + spring_set[counter].error= dv; value = json_object_get(spring, "weight"); if (!value || !(dv = json_number_value(value))) { @@ -392,7 +392,7 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root error = true; break; } - spring_set[counter].fkspr = dv; + spring_set[counter].weight = dv; value = json_object_get(spring, "atom1"); if (!value || !(iv = json_integer_value(value))) { @@ -400,7 +400,7 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root error = true; break; } - spring_set[counter].laspr[0] = iv - 1; + spring_set[counter].atoms[0] = iv - 1; value = json_object_get(spring, "atom2"); if (!value || !(iv = json_integer_value(value))) { @@ -408,7 +408,7 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root error = true; break; } - spring_set[counter].laspr[1] = iv - 1;*/ + spring_set[counter].atoms[1] = iv - 1;*/ } if (error) { @@ -428,8 +428,8 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root static void _pointsprings_setup_free(struct pointsprings_setup **sprst) { if (*sprst != NULL) { for (size_t i = 0; i < (*sprst)->nsprings; i++) { - if ((*sprst)->springs[i].laspr != NULL) { - free((*sprst)->springs[i].laspr); + if ((*sprst)->springs[i].atoms != NULL) { + free((*sprst)->springs[i].atoms); } } free((*sprst)->springs); @@ -471,12 +471,12 @@ static struct pointsprings_setup *_pointsprings_setup_read_txt(const char *path) return NULL; } - sprs[id].naspr = naspr; - sprs[id].fkspr = fkspr; + sprs[id].natoms = naspr; + sprs[id].weight = fkspr; sprs[id].X0 = X0; sprs[id].Y0 = Y0; sprs[id].Z0 = Z0; - sprs[id].laspr = calloc(naspr, sizeof(size_t)); + sprs[id].atoms = calloc(naspr, sizeof(size_t)); for (size_t i = 0; i < naspr; i++) { c = fscanf(fp, "%zu %s", &aid, name); @@ -488,7 +488,7 @@ static struct pointsprings_setup *_pointsprings_setup_read_txt(const char *path) return NULL; } - sprs[id].laspr[i] = aid - 1; + sprs[id].atoms[i] = aid - 1; } } @@ -516,7 +516,7 @@ static struct pointsprings_setup *_pointsprings_setup_read_json(const json_t *ro int code = json_unpack_ex( spring, &j_error, 0, "{s:F, s:[F,F,F]}", - "weight", &cur_spring->fkspr, + "weight", &cur_spring->weight, "coords", &cur_spring->X0, &cur_spring->Y0, &cur_spring->Z0); if (code != 0) { JSON_ERR_MSG(j_error, "Couldn't parse json pointspring"); @@ -531,20 +531,20 @@ static struct pointsprings_setup *_pointsprings_setup_read_json(const json_t *ro return NULL; } - cur_spring->naspr = json_array_size(atoms); - cur_spring->laspr = calloc(cur_spring->naspr, sizeof(size_t)); + cur_spring->natoms = json_array_size(atoms); + cur_spring->atoms = calloc(cur_spring->natoms, sizeof(size_t)); size_t atom_counter; json_t* atom_id; json_array_foreach(atoms, atom_counter, atom_id) { if (!json_is_integer(atom_id)) { for (size_t i = 0; i < nsprings; i++) { - free(sprs[i].laspr); + free(sprs[i].atoms); } free(sprs); return NULL; } - cur_spring->laspr[atom_counter] = json_integer_value(atom_id); + cur_spring->atoms[atom_counter] = json_integer_value(atom_id); } } @@ -773,7 +773,6 @@ bool energy_prms_populate_from_options( all_stage_prms->gbsa = opts.gbsa; all_stage_prms->score_only = opts.score_only; - all_stage_prms->verbose = opts.verbosity; all_stage_prms->json_log_setup.print_step = opts.print_step; all_stage_prms->json_log_setup.print_stage = opts.print_stage; @@ -917,7 +916,7 @@ bool energy_prms_populate_from_options( json_error_t j_error; int code = json_unpack_ex( stage_desc, &j_error, 0, - "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", + "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", "bonds", &stage_prms->bonds, "angles", &stage_prms->angles, "dihedrals", &stage_prms->dihedrals, @@ -928,7 +927,6 @@ bool energy_prms_populate_from_options( "fix_receptor", &stage_fix_rec, "fix_ligand", &stage_fix_lig, "score_only", &stage_prms->score_only, - "verbosity", &stage_prms->verbose, "nsteps", &stage_prms->nsteps); if (code != 0) { diff --git a/src/setup.h b/src/setup.h index 7e5e4b2..5fd22cc 100644 --- a/src/setup.h +++ b/src/setup.h @@ -1,3 +1,7 @@ +/** + * \file Functions for parsing variable minimization setup formats + */ + #ifndef ENERGYMIN_SETUP_H #define ENERGYMIN_SETUP_H @@ -14,26 +18,35 @@ #include "parse_options.h" +/** + * Regulates the output in json log file + */ struct json_log_setup { - bool print_step; - bool print_stage; - bool print_noe_matrix; + bool print_step; ///< Output energy for every step + bool print_stage; ///< Output final energy for every minimization stage + bool print_noe_matrix; ///< Matrix can be bulky, so this switches "noe_details" field off in the json log }; + +/** + * The structure sets up different + * options and terms computed by energy function + */ struct energy_prms { - struct mol_atom_group *ag; - struct agsetup *ag_setup; - struct acesetup *ace_setup; - json_t* json_log; - - struct pairsprings_setup *sprst_pairs; - struct pointsprings_setup *sprst_points; - struct noe_setup *nmr; - struct density_setup *fit_prms; - struct fixed_setup *fixed; - - int nsteps; - bool bonds; + struct mol_atom_group *ag; ///< Minimized atom group + struct agsetup *ag_setup; ///< Atom group setup + struct acesetup *ace_setup; ///< GBSA setup + json_t* json_log; ///< Energy terms are written here every time energy function is envoked + struct json_log_setup json_log_setup; ///< json log file parameters + + struct pairsprings_setup *sprst_pairs; ///< Pairwise distance restraints + struct pointsprings_setup *sprst_points; ///< Pointwise distance restraints + struct noe_setup *nmr; ///< NOE matrix restraints + struct density_setup *fit_prms; ///< Density fitting + struct fixed_setup *fixed; ///< Fixed atoms + + int nsteps; ///< Max number of steps during minimization + bool bonds; ///< Flags bool angles; bool dihedrals; bool impropers; @@ -41,10 +54,7 @@ struct energy_prms { bool vdw03; bool gbsa; - bool score_only; - bool verbose; - - struct json_log_setup json_log_setup; + bool score_only; ///< Don't perform minimizition and only output energy terms }; struct noe_setup { @@ -61,27 +71,27 @@ struct density_setup { }; struct pairspring { - size_t laspr[2]; /**< list of atoms */ - double lnspr; - double erspr; - double fkspr; /**< force constant */ + size_t atoms[2]; + double length; + double error; + double weight; }; struct pointspring { - size_t naspr; /**< number of affected atoms */ - size_t *laspr; /**< list of atoms */ - double fkspr; /**< force constant */ - double X0, Y0, Z0; /**< anchor point */ + size_t natoms; ///< Number of atom in a group being pulled + size_t *atoms; ///< Atom IDs + double weight; ///< Weight + double X0, Y0, Z0; ///< Attachment point }; struct pairsprings_setup { - size_t nsprings; /**< number of springs */ - struct pairspring *springs; /**< array of springs */ + size_t nsprings; + struct pairspring *springs; }; struct pointsprings_setup { - size_t nsprings; /**< number of springs */ - struct pointspring *springs; /**< array of springs */ + size_t nsprings; + struct pointspring *springs; }; struct fixed_setup { @@ -90,6 +100,14 @@ struct fixed_setup { }; +/** + * Fill energy minimization setups from parsed command line arguments + * + * @param result_energy_prm Structure being filled in + * @param result_nstages Number of minimization stages + * @param opts Parsed command line options + * @return True on success, false on failure + */ bool energy_prms_populate_from_options( struct energy_prms **result_energy_prm, size_t *result_nstages, @@ -97,6 +115,12 @@ bool energy_prms_populate_from_options( void energy_prms_free(struct energy_prms **prms, size_t nstages); + +/** + * Create atom group list from command line arguments + * @param opts Parsed command line options + * @return List of atom groups to minimize + */ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *opts); diff --git a/test/test_all.c b/test/test_all.c index 62fa02f..7b725cc 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -388,15 +388,15 @@ START_TEST(test_energy_prm_from_flags) ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->sprst_points->nsprings, 1); - ck_assert_int_eq(prms->sprst_points->springs[0].naspr, 24); - ck_assert_double_eq_tol(prms->sprst_points->springs[0].fkspr, 8, 10e-3); + ck_assert_int_eq(prms->sprst_points->springs[0].natoms, 24); + ck_assert_double_eq_tol(prms->sprst_points->springs[0].weight, 8, 10e-3); ck_assert_double_eq_tol(prms->sprst_points->springs[0].X0, 30.381, 10e-3); ck_assert_double_eq_tol(prms->sprst_points->springs[0].Y0, 5.877, 10e-3); ck_assert_double_eq_tol(prms->sprst_points->springs[0].Z0, 14.905, 10e-3); // Compare first 6 IDs _compare_arrays_size_t( - prms->sprst_points->springs->laspr, + prms->sprst_points->springs->atoms, (size_t[]){3598, 3599, 3600, 3601, 3602, 3603}, 6); @@ -420,12 +420,12 @@ START_TEST(test_energy_prm_from_flags) ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms->sprst_pairs->nsprings, 1); - ck_assert_double_eq_tol(prms->sprst_pairs->springs->fkspr, 5.0, 10e-3); - ck_assert_double_eq_tol(prms->sprst_pairs->springs->erspr, 2.0, 10e-3); - ck_assert_double_eq_tol(prms->sprst_pairs->springs->lnspr, 5.0, 10e-3); + ck_assert_double_eq_tol(prms->sprst_pairs->springs->weight, 5.0, 10e-3); + ck_assert_double_eq_tol(prms->sprst_pairs->springs->error, 2.0, 10e-3); + ck_assert_double_eq_tol(prms->sprst_pairs->springs->length, 5.0, 10e-3); _compare_arrays_size_t( - prms->sprst_pairs->springs->laspr, + prms->sprst_pairs->springs->atoms, (size_t[]){101, 3598}, 2); @@ -598,8 +598,8 @@ START_TEST(test_energy_prm_from_json) ck_assert_double_eq_tol(prms[1].nmr->weight, 1000, 10e-3); ck_assert_ptr_nonnull(prms[1].nmr->spec); ck_assert_int_eq(prms[1].nmr->spec->size, 2); - ck_assert_int_eq(prms[2].sprst_points->springs[0].laspr[3], 4); - ck_assert_int_eq(prms[1].sprst_pairs->springs[0].laspr[1], 5); + ck_assert_int_eq(prms[2].sprst_points->springs[0].atoms[3], 4); + ck_assert_int_eq(prms[1].sprst_pairs->springs[0].atoms[1], 5); energy_prms_free(&prms, nstages); break; From f861946f26c907afb5694e2cd4851604f57da3fe Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Sun, 10 May 2020 01:34:33 -0400 Subject: [PATCH 11/31] Started writing README and usage --- .gitignore | 1 + CMakeLists.txt | 7 +- README.md | 14 ++++ examples/energy_setup/README.md | 2 + examples/energy_setup/density.json | 0 examples/energy_setup/noe.json | 35 ++++++++ examples/energy_setup/noe.txt | 16 ++++ examples/energy_setup/pairsprings.txt | 2 + examples/energy_setup/pointsprings.txt | 26 ++++++ examples/energy_setup/setup_all.json | 108 +++++++++++++++++++++++++ src/setup.c | 28 +++---- src/usage.txt | 91 +++++++++++++++++++++ 12 files changed, 310 insertions(+), 20 deletions(-) create mode 100644 README.md create mode 100644 examples/energy_setup/README.md create mode 100644 examples/energy_setup/density.json create mode 100644 examples/energy_setup/noe.json create mode 100644 examples/energy_setup/noe.txt create mode 100644 examples/energy_setup/pairsprings.txt create mode 100644 examples/energy_setup/pointsprings.txt create mode 100644 examples/energy_setup/setup_all.json create mode 100644 src/usage.txt diff --git a/.gitignore b/.gitignore index cadae6d..609f1e8 100644 --- a/.gitignore +++ b/.gitignore @@ -1,5 +1,6 @@ # Project custom sandbox/ +.idea/ # Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio and WebStorm # Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839 diff --git a/CMakeLists.txt b/CMakeLists.txt index 6209116..88d739c 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -27,21 +27,16 @@ cmake_print_variables(CMAKE_MODULE_PATH CMAKE_MODULE_PATH) find_package(Jansson REQUIRED) -find_package(GSL REQUIRED) - find_package(mol2 REQUIRED) set(LIBRARY_LIST "${MOL2_LIBRARIES}" - "${GSL_LIBRARIES}" "${JANSSON_LIBRARIES}" m) set(INCLUDE_LIST "${MOL2_INCLUDE_DIRS}" - "${JANSSON_INCLUDE_DIRS}" - "${GSL_INCLUDE_DIRS}" - "${GSL_INCLUDE_DIR}") + "${JANSSON_INCLUDE_DIRS}") set(SRC_LIST ${PROJECT_SOURCE_DIR}/src/setup.c diff --git a/README.md b/README.md new file mode 100644 index 0000000..fc156f8 --- /dev/null +++ b/README.md @@ -0,0 +1,14 @@ +# NRGmin +Utility for molecular mechanics energy minimization + +### Installation ### + +1. Install [libmol2](https://bitbucket.org/bu-structure/libmol2/src/master) + +2. Build minimization executable + + mkdir build && cd build + cmake -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTS .. + make && make test + +3. The binary is in `build/minimization` \ No newline at end of file diff --git a/examples/energy_setup/README.md b/examples/energy_setup/README.md new file mode 100644 index 0000000..c8ef348 --- /dev/null +++ b/examples/energy_setup/README.md @@ -0,0 +1,2 @@ +### Minimization setup + diff --git a/examples/energy_setup/density.json b/examples/energy_setup/density.json new file mode 100644 index 0000000..e69de29 diff --git a/examples/energy_setup/noe.json b/examples/energy_setup/noe.json new file mode 100644 index 0000000..63a90d9 --- /dev/null +++ b/examples/energy_setup/noe.json @@ -0,0 +1,35 @@ +{ + "weight": 1000, + "power": 0.1666, + "groups": [ + [0], + [1] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } + ], + "mask": [[0, 1]] +} \ No newline at end of file diff --git a/examples/energy_setup/noe.txt b/examples/energy_setup/noe.txt new file mode 100644 index 0000000..1f941b3 --- /dev/null +++ b/examples/energy_setup/noe.txt @@ -0,0 +1,16 @@ +# groups file +104.fake_groups +# experimental matrix +104.fake_mat +# frequency (GHz) +0.00006 +# cor time (nanoseconds) +0.1 +# mix time (seconds) +0.3 +# distance cutoff (A) +1000 +# mask +off +# nmr weight in energy function +100.0 \ No newline at end of file diff --git a/examples/energy_setup/pairsprings.txt b/examples/energy_setup/pairsprings.txt new file mode 100644 index 0000000..0be13b0 --- /dev/null +++ b/examples/energy_setup/pairsprings.txt @@ -0,0 +1,2 @@ +1 +5.0 2.0 5.0 102 CA 3599 C1 diff --git a/examples/energy_setup/pointsprings.txt b/examples/energy_setup/pointsprings.txt new file mode 100644 index 0000000..c4d7ebc --- /dev/null +++ b/examples/energy_setup/pointsprings.txt @@ -0,0 +1,26 @@ +1 +24 8 30.381 5.877 14.905 +3599 C1 +3600 C2 +3601 C3 +3602 C4 +3603 C5 +3604 C6 +3605 C7 +3606 C8 +3607 O1 +3608 C9 +3609 C10 +3610 O2 +3611 N1 +3612 C11 +3613 C12 +3614 O3 +3615 N2 +3616 C13 +3617 C14 +3618 C15 +3619 C16 +3620 N3 +3621 C17 +3622 C18 diff --git a/examples/energy_setup/setup_all.json b/examples/energy_setup/setup_all.json new file mode 100644 index 0000000..b0cc018 --- /dev/null +++ b/examples/energy_setup/setup_all.json @@ -0,0 +1,108 @@ +{ + "options": { + "vdw03": false, + "gbsa": true, + "fix-receptor": true + }, + "stages": [ + { + "nsteps": 1000, + "vdw": false, + "gbsa": true + }, + { + "nsteps": 500, + "fixed": [ + 0, + 1, + 2, + 3, + 4, + 8, + 2000 + ], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ], + "noe": { + "weight": 1000, + "power": 0.33333, + "groups": [ + [ + 0 + ], + [ + 1 + ] + ], + "frequency": 0.00006, + "t_cor": 0.1, + "t_mix": 0.2, + "cutoff": 10, + "experiment": [ + { + "group1": 0, + "group2": 0, + "value": 0.840252 + }, + { + "group1": 0, + "group2": 1, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 0, + "value": -0.074589 + }, + { + "group1": 1, + "group2": 1, + "value": 0.840252 + } + ], + "mask": [ + [ + 0, + 1 + ] + ] + } + }, + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 1, + 1, + 1 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } + ] +} \ No newline at end of file diff --git a/src/setup.c b/src/setup.c index f4fa0e5..711e248 100644 --- a/src/setup.c +++ b/src/setup.c @@ -118,7 +118,9 @@ static struct mol_atom_group_list *_read_ag_list( } -static struct mol_atom_group_list* _merge_ag_lists(const struct mol_atom_group_list* ag1, const struct mol_atom_group_list* ag2) { +static struct mol_atom_group_list* _merge_ag_lists( + const struct mol_atom_group_list* ag1, + const struct mol_atom_group_list* ag2) { if (ag1->size != ag2->size) { ERR_MSG("Receptor and ligand have different numbers of models (%zu, %zu)", ag1->size, ag2->size); return NULL; @@ -200,9 +202,9 @@ static void _fixed_setup_free(struct fixed_setup **fixed) } -static struct fixed_setup* _fixed_setup_read_txt(const char *file) { +static struct fixed_setup* _fixed_setup_read_txt(const char *path) { FILE* fp; - FOPEN_ELSE(fp, file, "r") { + FOPEN_ELSE(fp, path, "r") { return NULL; } @@ -602,11 +604,11 @@ void density_setup_free(struct density_setup **prms) { }*/ -static void _noe_setup_free(struct noe_setup **nmr) { - if (*nmr != NULL) { - mol_noe_free((*nmr)->spec); - free(*nmr); - *nmr = NULL; +static void _noe_setup_free(struct noe_setup **noe) { + if (*noe != NULL) { + mol_noe_free((*noe)->spec); + free(*noe); + *noe = NULL; } } @@ -625,14 +627,12 @@ static void _noe_setup_free(struct noe_setup **nmr) { } while(0) -static struct noe_setup *_noe_setup_read_txt(const char *sfile) { +static struct noe_setup *_noe_setup_read_txt(const char *path) { char line[512]; FILE *f; - if (!(f = fopen(sfile, "r"))) { - ERR_MSG("jhkjh"); + FOPEN_ELSE(f, path, "r") { return NULL; } - struct noe_setup *nmr = calloc(1, sizeof(struct noe_setup)); char *word; @@ -708,8 +708,8 @@ static struct noe_setup *_noe_setup_read_json(json_t *root) { } -static struct noe_setup *_noe_setup_read_json_file(const char *file) { - json_t* root = read_json_file(file); +static struct noe_setup *_noe_setup_read_json_file(const char *path) { + json_t* root = read_json_file(path); if (!root) { return NULL; } diff --git a/src/usage.txt b/src/usage.txt new file mode 100644 index 0000000..7aa9507 --- /dev/null +++ b/src/usage.txt @@ -0,0 +1,91 @@ +Energy minimization using LBFGS. + +A molecule can be passed using two modes: single file mode or rec/lig mode. +Rec/lig mode is used, when structure is passed using rec-* lig-* arguments, +and single file mode is enabled for the opposite. Structure can be passed +using a set of 4 files pdb, psf, rtf, prm or as a single json file which +contains coordinates as well as force field parameters. Also and pair of +json and pdb can be passed, if one want to use geometry from json and +coordinates from pdb. + +All flags can be as well filled by passing a global setup file to --setup-json, +so this one argument is enough to run minimization. + +Examples of different minimization setups can be found in examples/energy_setup + + Output control: + + --out-pdb Where to write the minimized molecule(s) + --out-json Log file with energy terms + --print-step Log energies for every step + --print-stage Log energies for every stage + --print-noe-matrix Log NOE matrix is NOE calculation is on + --verbosity 0 - QUIET, 1 - ERROR, 2 - WARNING, 3 - INFO, >=4 - DEBUG + + + Single file mode: + + --psf Geometry + --prm Forcefield parameters + --rtf Topology file with residues description + --pdb Atom coordinates (can contain multiple models) + --json Json file with coordinates, geometry and force field parameters + + Parameters for rec/lig mode + + --rec-psf Receptor geometry + --rec-prm Receptor forcefield parameters + --rec-rtf Receptor topology file + --rec-pdb Receptor atom coordinates (can contain multiple models) + --rec-json Receptor json file with coordinates, geometry and force field parameters + --lig-psf Ligand geometry + --lig-prm Ligand forcefield parameters + --lig-rtf Ligand topology file with residues description + --lig-pdb Ligand atom coordinates (can contain multiple models) + --lig-json Ligand json file with coordinates, geometry and force field parameters + + + Minimization setup + + --nsteps Number of minimization steps + + Energy terms switches. Everything is on by default except for GBSA + + --bonds-on/--bonds-off Bonds energy term + --angles-on/--angles-off Angles + --dihedrals-on/--dihedrals-off Dihedrals + --impropers-on/--impropers-on Impropers + --vdw-on/--vdw-off VDW + --vdw03-on/--vdw03-off 1-4 VDW + --gbsa-on/gbsa-off GBSA + + Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms) + + --fixed-pdb PDB file with fixed atoms. Only atom ID is read (lines starting with ATOM) + --fix-receptor Fix receptor atoms (works only in rec/lig mode) + --fix-ligand Fix ligand atoms (works only in rec/lig mode) + + Distance restraints + + --pair-springs-txt Text file setup for pairwise restraints + --point-springs-txt Text file setup for pointwise restraints + + NOE setup + + --noe-txt Text file setup for NOE + --noe-json Json file setup for NOE + + Density setup + + --density-json Json file setup for density fitting + + Global setup in json format + + --setup-json This file duplicates all the other options. It also allows for + multistage minimization protocol, where each stage can have + different minimization terms + + Miscellaneous + + --score-only Score only without doing minimization + --help Show this message and exit From 1f778883090660b023afa5b29ba6a59f6b6c80e4 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Sun, 10 May 2020 12:39:31 -0400 Subject: [PATCH 12/31] More examples and docs --- CMakeLists.txt | 16 +- README.md | 117 +- examples/energy_setup/README.md | 8 +- examples/energy_setup/pairsprings.txt | 3 +- examples/usage/BACE_4_lig.json | 2479 ++++ examples/usage/BACE_4_lig_2models_close.pdb | 88 + examples/usage/BACE_4_rec.psf | 11057 ++++++++++++++++++ examples/usage/BACE_4_rec_2models.pdb | 7202 ++++++++++++ examples/usage/BACE_4_rec_parm.prm | 6718 +++++++++++ examples/usage/BACE_4_rec_pdbamino.rtf | 4327 +++++++ examples/usage/README.md | 20 + examples/usage/setup.json | 47 + src/minimize.c | 2 + src/parse_options.c | 260 +- src/setup.c | 2 +- src/usage.txt | 10 +- src/utils.c | 6 +- src/utils.h | 82 +- 18 files changed, 32296 insertions(+), 148 deletions(-) create mode 100644 examples/usage/BACE_4_lig.json create mode 100644 examples/usage/BACE_4_lig_2models_close.pdb create mode 100644 examples/usage/BACE_4_rec.psf create mode 100644 examples/usage/BACE_4_rec_2models.pdb create mode 100644 examples/usage/BACE_4_rec_parm.prm create mode 100644 examples/usage/BACE_4_rec_pdbamino.rtf create mode 100644 examples/usage/README.md create mode 100644 examples/usage/setup.json diff --git a/CMakeLists.txt b/CMakeLists.txt index 88d739c..b2a6a6b 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -4,8 +4,8 @@ if(${CMAKE_VERSION} VERSION_LESS 3.12) cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}) endif() -project(EnergyMin VERSION 0.0 - DESCRIPTION "Energy minimization tool" +project(EnergyMin VERSION 1.0 + DESCRIPTION "Energy minimization utility" LANGUAGES C) set(CMAKE_CXX_STANDARD 11) @@ -21,10 +21,6 @@ if(CMAKE_BUILD_TYPE STREQUAL "Debug") add_compile_options(-Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) endif() -include(CMakePrintHelpers) - -cmake_print_variables(CMAKE_MODULE_PATH CMAKE_MODULE_PATH) - find_package(Jansson REQUIRED) find_package(mol2 REQUIRED) @@ -44,23 +40,23 @@ set(SRC_LIST ${PROJECT_SOURCE_DIR}/src/utils.c ${PROJECT_SOURCE_DIR}/src/energy.c) -add_executable(minimize ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) +add_executable(nrgmin ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) if (LTO) include(CheckIPOSupported) check_ipo_supported(RESULT result) if(result) - set_target_properties(minimize PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) + set_target_properties(nrgmin PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) endif() endif() -target_include_directories(minimize +target_include_directories(nrgmin PUBLIC "$" "$" PRIVATE ${INCLUDE_LIST}) -target_link_libraries(minimize ${LIBRARY_LIST}) +target_link_libraries(nrgmin ${LIBRARY_LIST}) if (BUILD_TESTS) find_package(Check REQUIRED) diff --git a/README.md b/README.md index fc156f8..972600a 100644 --- a/README.md +++ b/README.md @@ -11,4 +11,119 @@ Utility for molecular mechanics energy minimization cmake -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTS .. make && make test -3. The binary is in `build/minimization` \ No newline at end of file +3. The binary is in `build/nrgmin` + +### How to run + +A molecule can be passed using single file mode as a set of 4 files + +``` +./nrgmin --pdb mol.pdb --psf mol.psf --prm mol.prm --rtf mol.rtf +``` + +Or as a json file + +``` +./nrgmin --json mol.json +``` + +As well as in a rec/lig mode: + +``` +./nrgmin ---rec-pdb mol.pdb --rec-psf mol.psf --rec-prm mol.prm --rec-rtf mol.rtf --lig-json lig.json +``` + +Energy function setup is flexible, so you can switch terms on and off + +``` +./nrgmin --json mol.json --vdw-off --gbsa-on +``` + +And add restraining potentials + +``` +./nrgmin --json mol.json --pair-springs-txt springs.txt +``` + +List of restraints: + +* fixed atoms (`--fix-receptor`, `--fix-ligand`, `--fixed-pdb`) +* pairwise distance restraints (`--pair-springs-txt`) +* pointwise distance restraints (`--point-springs-txt`) +* density fitting (`--density-json`) +* NOE matrix fitting (`--noe-txt`, `--noe-json`) + +Instead of providing flags you can setup all minimization parameters and +multiple minimization stages using a master json file + +``` +./nrgmin --setup-json setup.json +``` + +To see all flags: +``` +./nrgmin -h +``` + + +### Master json format + +Has two fields: `options`, which duplicates all existing flags, and `stages`. `Stages` is an array, +where each entry describes a minimization stage and can use all existing flags. Fields specified in +`options` will be used throughout all stages, unless specified differently in each stage. So if an option +is not specified in stage parameters, its value is taken from `options` or is set to default, if it is not +set there as well. + +``` +{ + "options": { + "rec_pdb": "BACE_4_rec_2models.pdb", + "rec_psf": "BACE_4_rec.psf", + "rec_prm": "BACE_4_rec_parm.prm", + "rec_rtf": "BACE_4_rec_pdbamino.rtf", + "lig_json": "BACE_4_lig.json", + "lig_pdb": "BACE_4_lig_2models_close.pdb" + }, + "stages": [ + { + "nsteps": 1000, + "fix_ligand": true + }, + { + "nsteps": 1000, + "fix_receptor": true + }, + { + "nsteps": 1000, + "vdw03": false, + "gbsa": true, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 26.816, + 1.943, + 23.790 + ], + "atoms": [ + 3598 + ] + } + ], + "pairsprings": [ + { + "weight": 10, + "length": 10, + "error": 1, + "atom1": 3598, + "atom2": 3630 + } + ] + } + ] +} +``` + +### Examples + +More setup examples are [here](./examples/energy_setup) and usage examples [here](./examples/usage). \ No newline at end of file diff --git a/examples/energy_setup/README.md b/examples/energy_setup/README.md index c8ef348..1870f56 100644 --- a/examples/energy_setup/README.md +++ b/examples/energy_setup/README.md @@ -1,2 +1,8 @@ -### Minimization setup +# Setup file examples +* density.json: --density-json +* noe.json: --noe-json +* noe.txt: --noe-txt +* pairsprings.txt: --pair-springs-txt +* pointsprings.txt: --point-springs-txt +* setup_all.json: --setup-json diff --git a/examples/energy_setup/pairsprings.txt b/examples/energy_setup/pairsprings.txt index 0be13b0..5ade291 100644 --- a/examples/energy_setup/pairsprings.txt +++ b/examples/energy_setup/pairsprings.txt @@ -1,2 +1,3 @@ -1 +2 5.0 2.0 5.0 102 CA 3599 C1 +10.0 2.0 10.0 102 CA 3599 C1 \ No newline at end of file diff --git a/examples/usage/BACE_4_lig.json b/examples/usage/BACE_4_lig.json new file mode 100644 index 0000000..4cdb318 --- /dev/null +++ b/examples/usage/BACE_4_lig.json @@ -0,0 +1,2479 @@ +{ + "angles": [ + { + "atom1": 1, + "atom2": 2, + "atom3": 3, + 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C +ATOM 3604 C6 X 1 27.598 7.261 23.889 0.00 0.00 C +ATOM 3605 C7 X 1 26.611 8.423 23.706 0.00 0.00 C +ATOM 3606 C8 X 1 26.788 9.059 22.321 0.00 0.00 C +ATOM 3607 O1 X 1 25.880 8.439 21.393 0.00 0.00 O +ATOM 3608 C9 X 1 26.207 8.755 20.026 0.00 0.00 C +ATOM 3609 C10 X 1 25.194 8.137 19.086 0.00 0.00 C +ATOM 3610 O2 X 1 24.347 8.805 18.528 0.00 0.00 O +ATOM 3611 N1 X 1 25.268 6.802 18.889 0.00 0.00 N +ATOM 3612 C11 X 1 26.353 5.969 19.421 0.00 0.00 C +ATOM 3613 C12 X 1 25.938 4.922 20.432 0.00 0.00 C +ATOM 3614 O3 X 1 26.466 3.828 20.437 0.00 0.00 O +ATOM 3615 N2 X 1 24.958 5.317 21.286 0.00 0.00 N +ATOM 3616 C13 X 1 24.305 4.572 22.389 0.00 0.00 C +ATOM 3617 C14 X 1 24.923 3.235 22.833 0.00 0.00 C +ATOM 3618 C15 X 1 22.838 4.271 22.043 0.00 0.00 C +ATOM 3619 C16 X 1 21.935 5.508 22.118 0.00 0.00 C +ATOM 3620 N3 X 1 22.481 6.776 21.529 0.00 0.00 N +ATOM 3621 C17 X 1 21.413 7.789 21.219 0.00 0.00 C +ATOM 3622 C18 X 1 20.533 7.903 22.428 0.00 0.00 C +ATOM 3623 C19 X 1 21.666 8.867 22.228 0.00 0.00 C +ATOM 3624 C20 X 1 21.017 8.021 19.806 0.00 0.00 C +ATOM 3625 C21 X 1 20.226 7.080 19.128 0.00 0.00 C +ATOM 3626 C22 X 1 19.880 7.266 17.782 0.00 0.00 C +ATOM 3627 C23 X 1 20.325 8.423 17.130 0.00 0.00 C +ATOM 3628 C24 X 1 21.112 9.383 17.797 0.00 0.00 C +ATOM 3629 C25 X 1 21.441 9.183 19.149 0.00 0.00 C +ATOM 3630 C26 X 1 21.606 10.624 17.041 0.00 0.00 C +ATOM 3631 C27 X 1 22.623 10.211 15.963 0.00 0.00 C +ATOM 3632 C28 X 1 20.433 11.343 16.352 0.00 0.00 C +ATOM 3633 C29 X 1 22.300 11.659 17.952 0.00 0.00 C +ATOM 3634 O4 X 1 22.764 3.698 20.739 0.00 0.00 O +ATOM 3635 C30 X 1 27.288 5.397 18.346 0.00 0.00 C +ATOM 3636 C31 X 1 24.252 6.101 18.096 0.00 0.00 C +ATOM 3637 H20 X 1 24.613 6.256 21.162 0.00 0.00 H +ATOM 3638 H27 X 1 22.985 6.560 20.658 0.00 0.00 H +ATOM 3639 H28 X 1 23.177 7.179 22.175 0.00 0.00 H +ATOM 3640 H46 X 1 23.029 4.374 20.091 0.00 0.00 H +ENDMDL diff --git a/examples/usage/BACE_4_rec.psf b/examples/usage/BACE_4_rec.psf new file mode 100644 index 0000000..eb3c2bc --- /dev/null +++ b/examples/usage/BACE_4_rec.psf @@ -0,0 +1,11057 @@ +PSF + + 11 !NTITLE + REMARKS original generated structure charmm psf file + REMARKS 3 patches were applied to the molecule. + REMARKS topology /home/aland/mcm-demo/scripts/pdbamino_new.rtf + REMARKS segment A0 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A1 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A2 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A3 { first NONE; last NONE; auto angles dihedrals } + REMARKS segment A4 { first NONE; last NONE; auto angles dihedrals } + REMARKS patch DISU A3:155 A4:359 + REMARKS patch DISU A4:217 A4:382 + REMARKS patch DISU A4:269 A4:319 + + 3598 !NATOM + 1 A0 1 GLU N 32 -0.400000 14.0067 0 + 2 A0 1 GLU H 1 0.250000 1.0080 0 + 3 A0 1 GLU CA 11 0.100000 13.0190 0 + 4 A0 1 GLU CB 12 0.000000 14.0270 0 + 5 A0 1 GLU CG 12 0.000000 14.0270 0 + 6 A0 1 GLU CD 14 0.140000 12.0110 0 + 7 A0 1 GLU OE1 43 -0.570000 15.9994 0 + 8 A0 1 GLU OE2 43 -0.570000 15.9994 0 + 9 A0 1 GLU C 14 0.600000 12.0110 0 + 10 A0 1 GLU O 40 -0.550000 15.9994 0 + 11 A0 2 MET N 32 -0.400000 14.0067 0 + 12 A0 2 MET H 1 0.250000 1.0080 0 + 13 A0 2 MET CA 11 0.100000 13.0190 0 + 14 A0 2 MET CB 12 0.000000 14.0270 0 + 15 A0 2 MET CG 12 0.060000 14.0270 0 + 16 A0 2 MET SD 74 -0.120000 32.0600 0 + 17 A0 2 MET CE 13 0.060000 15.0350 0 + 18 A0 2 MET C 14 0.600000 12.0110 0 + 19 A0 2 MET O 40 -0.550000 15.9994 0 + 20 A0 3 VAL N 32 -0.400000 14.0067 0 + 21 A0 3 VAL H 1 0.250000 1.0080 0 + 22 A0 3 VAL CA 11 0.100000 13.0190 0 + 23 A0 3 VAL CB 11 0.000000 13.0190 0 + 24 A0 3 VAL CG1 13 0.000000 15.0350 0 + 25 A0 3 VAL CG2 13 0.000000 15.0350 0 + 26 A0 3 VAL C 14 0.600000 12.0110 0 + 27 A0 3 VAL O 40 -0.550000 15.9994 0 + 28 A0 4 ASP N 32 -0.400000 14.0067 0 + 29 A0 4 ASP H 1 0.250000 1.0080 0 + 30 A0 4 ASP CA 11 0.100000 13.0190 0 + 31 A0 4 ASP CB 12 0.000000 14.0270 0 + 32 A0 4 ASP CG 14 0.140000 12.0110 0 + 33 A0 4 ASP OD1 43 -0.570000 15.9994 0 + 34 A0 4 ASP OD2 43 -0.570000 15.9994 0 + 35 A0 4 ASP C 14 0.600000 12.0110 0 + 36 A0 4 ASP O 40 -0.550000 15.9994 0 + 37 A0 5 ASN N 32 -0.400000 14.0067 0 + 38 A0 5 ASN H 1 0.250000 1.0080 0 + 39 A0 5 ASN CA 11 0.100000 13.0190 0 + 40 A0 5 ASN CB 12 0.000000 14.0270 0 + 41 A0 5 ASN CG 14 0.550000 12.0110 0 + 42 A0 5 ASN OD1 40 -0.550000 15.9994 0 + 43 A0 5 ASN ND2 32 -0.600000 14.0067 0 + 44 A0 5 ASN HD21 1 0.300000 1.0080 0 + 45 A0 5 ASN HD22 1 0.300000 1.0080 0 + 46 A0 5 ASN C 14 0.600000 12.0110 0 + 47 A0 5 ASN O 40 -0.550000 15.9994 0 + 48 A0 6 LEU N 32 -0.400000 14.0067 0 + 49 A0 6 LEU H 1 0.250000 1.0080 0 + 50 A0 6 LEU CA 11 0.100000 13.0190 0 + 51 A0 6 LEU CB 12 0.000000 14.0270 0 + 52 A0 6 LEU CG 11 0.000000 13.0190 0 + 53 A0 6 LEU CD1 13 0.000000 15.0350 0 + 54 A0 6 LEU CD2 13 0.000000 15.0350 0 + 55 A0 6 LEU C 14 0.600000 12.0110 0 + 56 A0 6 LEU O 40 -0.550000 15.9994 0 + 57 A0 7 ARG N 32 -0.400000 14.0067 0 + 58 A0 7 ARG H 1 0.250000 1.0080 0 + 59 A0 7 ARG CA 11 0.100000 13.0190 0 + 60 A0 7 ARG CB 12 0.000000 14.0270 0 + 61 A0 7 ARG CG 12 0.000000 14.0270 0 + 62 A0 7 ARG CD 12 0.100000 14.0270 0 + 63 A0 7 ARG NE 32 -0.400000 14.0067 0 + 64 A0 7 ARG HE 1 0.300000 1.0080 0 + 65 A0 7 ARG CZ 14 0.500000 12.0110 0 + 66 A0 7 ARG NH1 37 -0.450000 14.0067 0 + 67 A0 7 ARG HH11 2 0.350000 1.0080 0 + 68 A0 7 ARG HH12 2 0.350000 1.0080 0 + 69 A0 7 ARG NH2 37 -0.450000 14.0067 0 + 70 A0 7 ARG HH21 2 0.350000 1.0080 0 + 71 A0 7 ARG HH22 2 0.350000 1.0080 0 + 72 A0 7 ARG C 14 0.600000 12.0110 0 + 73 A0 7 ARG O 40 -0.550000 15.9994 0 + 74 A0 8 GLY N 32 -0.400000 14.0067 0 + 75 A0 8 GLY H 1 0.250000 1.0080 0 + 76 A0 8 GLY CA 12 0.100000 14.0270 0 + 77 A0 8 GLY C 14 0.600000 12.0110 0 + 78 A0 8 GLY O 40 -0.550000 15.9994 0 + 79 A0 9 LYS N 32 -0.400000 14.0067 0 + 80 A0 9 LYS H 1 0.250000 1.0080 0 + 81 A0 9 LYS CA 11 0.100000 13.0190 0 + 82 A0 9 LYS CB 12 0.000000 14.0270 0 + 83 A0 9 LYS CG 12 0.000000 14.0270 0 + 84 A0 9 LYS CD 12 0.000000 14.0270 0 + 85 A0 9 LYS CE 12 0.250000 14.0270 0 + 86 A0 9 LYS NZ 36 -0.300000 14.0067 0 + 87 A0 9 LYS HZ1 2 0.350000 1.0080 0 + 88 A0 9 LYS HZ2 2 0.350000 1.0080 0 + 89 A0 9 LYS HZ3 2 0.350000 1.0080 0 + 90 A0 9 LYS C 14 0.600000 12.0110 0 + 91 A0 9 LYS O 40 -0.550000 15.9994 0 + 92 A0 10 SER N 32 -0.400000 14.0067 0 + 93 A0 10 SER H 1 0.250000 1.0080 0 + 94 A0 10 SER CA 11 0.100000 13.0190 0 + 95 A0 10 SER CB 12 0.250000 14.0270 0 + 96 A0 10 SER OG 45 -0.650000 15.9994 0 + 97 A0 10 SER HG 8 0.400000 1.0080 0 + 98 A0 10 SER C 14 0.600000 12.0110 0 + 99 A0 10 SER O 40 -0.550000 15.9994 0 + 100 A0 11 GLY N 32 -0.400000 14.0067 0 + 101 A0 11 GLY H 1 0.250000 1.0080 0 + 102 A0 11 GLY CA 12 0.100000 14.0270 0 + 103 A0 11 GLY C 14 0.600000 12.0110 0 + 104 A0 11 GLY O 40 -0.550000 15.9994 0 + 105 A0 12 GLN N 32 -0.400000 14.0067 0 + 106 A0 12 GLN H 1 0.250000 1.0080 0 + 107 A0 12 GLN CA 11 0.100000 13.0190 0 + 108 A0 12 GLN CB 12 0.000000 14.0270 0 + 109 A0 12 GLN CG 12 0.000000 14.0270 0 + 110 A0 12 GLN CD 14 0.550000 12.0110 0 + 111 A0 12 GLN OE1 40 -0.550000 15.9994 0 + 112 A0 12 GLN NE2 32 -0.600000 14.0067 0 + 113 A0 12 GLN HE21 1 0.300000 1.0080 0 + 114 A0 12 GLN HE22 1 0.300000 1.0080 0 + 115 A0 12 GLN C 14 0.600000 12.0110 0 + 116 A0 12 GLN O 40 -0.550000 15.9994 0 + 117 A0 13 GLY N 32 -0.400000 14.0067 0 + 118 A0 13 GLY H 1 0.250000 1.0080 0 + 119 A0 13 GLY CA 12 0.100000 14.0270 0 + 120 A0 13 GLY C 14 0.600000 12.0110 0 + 121 A0 13 GLY O 40 -0.550000 15.9994 0 + 122 A0 14 TYR N 32 -0.400000 14.0067 0 + 123 A0 14 TYR H 1 0.250000 1.0080 0 + 124 A0 14 TYR CA 11 0.100000 13.0190 0 + 125 A0 14 TYR CB 12 0.000000 14.0270 0 + 126 A0 14 TYR CG 22 0.000000 12.0110 0 + 127 A0 14 TYR CD1 24 0.000000 13.0190 0 + 128 A0 14 TYR CE1 24 0.000000 13.0190 0 + 129 A0 14 TYR CD2 24 0.000000 13.0190 0 + 130 A0 14 TYR CE2 24 0.000000 13.0190 0 + 131 A0 14 TYR CZ 22 0.250000 12.0110 0 + 132 A0 14 TYR OH 45 -0.650000 15.9994 0 + 133 A0 14 TYR HH 8 0.400000 1.0080 0 + 134 A0 14 TYR C 14 0.600000 12.0110 0 + 135 A0 14 TYR O 40 -0.550000 15.9994 0 + 136 A0 15 TYR N 32 -0.400000 14.0067 0 + 137 A0 15 TYR H 1 0.250000 1.0080 0 + 138 A0 15 TYR CA 11 0.100000 13.0190 0 + 139 A0 15 TYR CB 12 0.000000 14.0270 0 + 140 A0 15 TYR CG 22 0.000000 12.0110 0 + 141 A0 15 TYR CD1 24 0.000000 13.0190 0 + 142 A0 15 TYR CE1 24 0.000000 13.0190 0 + 143 A0 15 TYR CD2 24 0.000000 13.0190 0 + 144 A0 15 TYR CE2 24 0.000000 13.0190 0 + 145 A0 15 TYR CZ 22 0.250000 12.0110 0 + 146 A0 15 TYR OH 45 -0.650000 15.9994 0 + 147 A0 15 TYR HH 8 0.400000 1.0080 0 + 148 A0 15 TYR C 14 0.600000 12.0110 0 + 149 A0 15 TYR O 40 -0.550000 15.9994 0 + 150 A0 16 VAL N 32 -0.400000 14.0067 0 + 151 A0 16 VAL H 1 0.250000 1.0080 0 + 152 A0 16 VAL CA 11 0.100000 13.0190 0 + 153 A0 16 VAL CB 11 0.000000 13.0190 0 + 154 A0 16 VAL CG1 13 0.000000 15.0350 0 + 155 A0 16 VAL CG2 13 0.000000 15.0350 0 + 156 A0 16 VAL C 14 0.600000 12.0110 0 + 157 A0 16 VAL O 40 -0.550000 15.9994 0 + 158 A0 17 GLU N 32 -0.400000 14.0067 0 + 159 A0 17 GLU H 1 0.250000 1.0080 0 + 160 A0 17 GLU CA 11 0.100000 13.0190 0 + 161 A0 17 GLU CB 12 0.000000 14.0270 0 + 162 A0 17 GLU CG 12 0.000000 14.0270 0 + 163 A0 17 GLU CD 14 0.140000 12.0110 0 + 164 A0 17 GLU OE1 43 -0.570000 15.9994 0 + 165 A0 17 GLU OE2 43 -0.570000 15.9994 0 + 166 A0 17 GLU C 14 0.600000 12.0110 0 + 167 A0 17 GLU O 40 -0.550000 15.9994 0 + 168 A0 18 MET N 32 -0.400000 14.0067 0 + 169 A0 18 MET H 1 0.250000 1.0080 0 + 170 A0 18 MET CA 11 0.100000 13.0190 0 + 171 A0 18 MET CB 12 0.000000 14.0270 0 + 172 A0 18 MET CG 12 0.060000 14.0270 0 + 173 A0 18 MET SD 74 -0.120000 32.0600 0 + 174 A0 18 MET CE 13 0.060000 15.0350 0 + 175 A0 18 MET C 14 0.600000 12.0110 0 + 176 A0 18 MET O 40 -0.550000 15.9994 0 + 177 A0 19 THR N 32 -0.400000 14.0067 0 + 178 A0 19 THR H 1 0.250000 1.0080 0 + 179 A0 19 THR CA 11 0.100000 13.0190 0 + 180 A0 19 THR CB 11 0.250000 13.0190 0 + 181 A0 19 THR OG1 45 -0.650000 15.9994 0 + 182 A0 19 THR HG1 8 0.400000 1.0080 0 + 183 A0 19 THR CG2 13 0.000000 15.0350 0 + 184 A0 19 THR C 14 0.600000 12.0110 0 + 185 A0 19 THR O 40 -0.550000 15.9994 0 + 186 A0 20 VAL N 32 -0.400000 14.0067 0 + 187 A0 20 VAL H 1 0.250000 1.0080 0 + 188 A0 20 VAL CA 11 0.100000 13.0190 0 + 189 A0 20 VAL CB 11 0.000000 13.0190 0 + 190 A0 20 VAL CG1 13 0.000000 15.0350 0 + 191 A0 20 VAL CG2 13 0.000000 15.0350 0 + 192 A0 20 VAL C 14 0.600000 12.0110 0 + 193 A0 20 VAL O 40 -0.550000 15.9994 0 + 194 A0 21 GLY N 32 -0.400000 14.0067 0 + 195 A0 21 GLY H 1 0.250000 1.0080 0 + 196 A0 21 GLY CA 12 0.100000 14.0270 0 + 197 A0 21 GLY C 14 0.600000 12.0110 0 + 198 A0 21 GLY O 40 -0.550000 15.9994 0 + 199 A0 22 SER N 32 -0.400000 14.0067 0 + 200 A0 22 SER H 1 0.250000 1.0080 0 + 201 A0 22 SER CA 11 0.100000 13.0190 0 + 202 A0 22 SER CB 12 0.250000 14.0270 0 + 203 A0 22 SER OG 45 -0.650000 15.9994 0 + 204 A0 22 SER HG 8 0.400000 1.0080 0 + 205 A0 22 SER C 14 0.600000 12.0110 0 + 206 A0 22 SER O 40 -0.550000 15.9994 0 + 207 A0 23 PRO N 33 -0.250000 14.0067 0 + 208 A0 23 PRO CD 12 0.100000 14.0270 0 + 209 A0 23 PRO CA 11 0.100000 13.0190 0 + 210 A0 23 PRO CB 12 0.000000 14.0270 0 + 211 A0 23 PRO CG 12 0.000000 14.0270 0 + 212 A0 23 PRO C 14 0.600000 12.0110 0 + 213 A0 23 PRO O 40 -0.550000 15.9994 0 + 214 A0 24 PRO N 33 -0.250000 14.0067 0 + 215 A0 24 PRO CD 12 0.100000 14.0270 0 + 216 A0 24 PRO CA 11 0.100000 13.0190 0 + 217 A0 24 PRO CB 12 0.000000 14.0270 0 + 218 A0 24 PRO CG 12 0.000000 14.0270 0 + 219 A0 24 PRO C 14 0.600000 12.0110 0 + 220 A0 24 PRO O 40 -0.550000 15.9994 0 + 221 A0 25 GLN N 32 -0.400000 14.0067 0 + 222 A0 25 GLN H 1 0.250000 1.0080 0 + 223 A0 25 GLN CA 11 0.100000 13.0190 0 + 224 A0 25 GLN CB 12 0.000000 14.0270 0 + 225 A0 25 GLN CG 12 0.000000 14.0270 0 + 226 A0 25 GLN CD 14 0.550000 12.0110 0 + 227 A0 25 GLN OE1 40 -0.550000 15.9994 0 + 228 A0 25 GLN NE2 32 -0.600000 14.0067 0 + 229 A0 25 GLN HE21 1 0.300000 1.0080 0 + 230 A0 25 GLN HE22 1 0.300000 1.0080 0 + 231 A0 25 GLN C 14 0.600000 12.0110 0 + 232 A0 25 GLN O 40 -0.550000 15.9994 0 + 233 A0 26 THR N 32 -0.400000 14.0067 0 + 234 A0 26 THR H 1 0.250000 1.0080 0 + 235 A0 26 THR CA 11 0.100000 13.0190 0 + 236 A0 26 THR CB 11 0.250000 13.0190 0 + 237 A0 26 THR OG1 45 -0.650000 15.9994 0 + 238 A0 26 THR HG1 8 0.400000 1.0080 0 + 239 A0 26 THR CG2 13 0.000000 15.0350 0 + 240 A0 26 THR C 14 0.600000 12.0110 0 + 241 A0 26 THR O 40 -0.550000 15.9994 0 + 242 A0 27 LEU N 32 -0.400000 14.0067 0 + 243 A0 27 LEU H 1 0.250000 1.0080 0 + 244 A0 27 LEU CA 11 0.100000 13.0190 0 + 245 A0 27 LEU CB 12 0.000000 14.0270 0 + 246 A0 27 LEU CG 11 0.000000 13.0190 0 + 247 A0 27 LEU CD1 13 0.000000 15.0350 0 + 248 A0 27 LEU CD2 13 0.000000 15.0350 0 + 249 A0 27 LEU C 14 0.600000 12.0110 0 + 250 A0 27 LEU O 40 -0.550000 15.9994 0 + 251 A0 28 ASN N 32 -0.400000 14.0067 0 + 252 A0 28 ASN H 1 0.250000 1.0080 0 + 253 A0 28 ASN CA 11 0.100000 13.0190 0 + 254 A0 28 ASN CB 12 0.000000 14.0270 0 + 255 A0 28 ASN CG 14 0.550000 12.0110 0 + 256 A0 28 ASN OD1 40 -0.550000 15.9994 0 + 257 A0 28 ASN ND2 32 -0.600000 14.0067 0 + 258 A0 28 ASN HD21 1 0.300000 1.0080 0 + 259 A0 28 ASN HD22 1 0.300000 1.0080 0 + 260 A0 28 ASN C 14 0.600000 12.0110 0 + 261 A0 28 ASN O 40 -0.550000 15.9994 0 + 262 A0 29 ILE N 32 -0.400000 14.0067 0 + 263 A0 29 ILE H 1 0.250000 1.0080 0 + 264 A0 29 ILE CA 11 0.100000 13.0190 0 + 265 A0 29 ILE CB 11 0.000000 13.0190 0 + 266 A0 29 ILE CG2 13 0.000000 15.0350 0 + 267 A0 29 ILE CG1 12 0.000000 14.0270 0 + 268 A0 29 ILE CD1 13 0.000000 15.0350 0 + 269 A0 29 ILE C 14 0.600000 12.0110 0 + 270 A0 29 ILE O 40 -0.550000 15.9994 0 + 271 A0 30 LEU N 32 -0.400000 14.0067 0 + 272 A0 30 LEU H 1 0.250000 1.0080 0 + 273 A0 30 LEU CA 11 0.100000 13.0190 0 + 274 A0 30 LEU CB 12 0.000000 14.0270 0 + 275 A0 30 LEU CG 11 0.000000 13.0190 0 + 276 A0 30 LEU CD1 13 0.000000 15.0350 0 + 277 A0 30 LEU CD2 13 0.000000 15.0350 0 + 278 A0 30 LEU C 14 0.600000 12.0110 0 + 279 A0 30 LEU O 40 -0.550000 15.9994 0 + 280 A0 31 VAL N 32 -0.400000 14.0067 0 + 281 A0 31 VAL H 1 0.250000 1.0080 0 + 282 A0 31 VAL CA 11 0.100000 13.0190 0 + 283 A0 31 VAL CB 11 0.000000 13.0190 0 + 284 A0 31 VAL CG1 13 0.000000 15.0350 0 + 285 A0 31 VAL CG2 13 0.000000 15.0350 0 + 286 A0 31 VAL C 14 0.600000 12.0110 0 + 287 A0 31 VAL O 40 -0.550000 15.9994 0 + 288 A0 32 ASP N 32 -0.400000 14.0067 0 + 289 A0 32 ASP H 1 0.250000 1.0080 0 + 290 A0 32 ASP CA 11 0.100000 13.0190 0 + 291 A0 32 ASP CB 12 0.000000 14.0270 0 + 292 A0 32 ASP CG 14 0.140000 12.0110 0 + 293 A0 32 ASP OD1 43 -0.570000 15.9994 0 + 294 A0 32 ASP OD2 43 -0.570000 15.9994 0 + 295 A0 32 ASP C 14 0.600000 12.0110 0 + 296 A0 32 ASP O 40 -0.550000 15.9994 0 + 297 A0 33 THR N 32 -0.400000 14.0067 0 + 298 A0 33 THR H 1 0.250000 1.0080 0 + 299 A0 33 THR CA 11 0.100000 13.0190 0 + 300 A0 33 THR CB 11 0.250000 13.0190 0 + 301 A0 33 THR OG1 45 -0.650000 15.9994 0 + 302 A0 33 THR HG1 8 0.400000 1.0080 0 + 303 A0 33 THR CG2 13 0.000000 15.0350 0 + 304 A0 33 THR C 14 0.600000 12.0110 0 + 305 A0 33 THR O 40 -0.550000 15.9994 0 + 306 A0 34 GLY N 32 -0.400000 14.0067 0 + 307 A0 34 GLY H 1 0.250000 1.0080 0 + 308 A0 34 GLY CA 12 0.100000 14.0270 0 + 309 A0 34 GLY C 14 0.600000 12.0110 0 + 310 A0 34 GLY O 40 -0.550000 15.9994 0 + 311 A0 35 SER N 32 -0.400000 14.0067 0 + 312 A0 35 SER H 1 0.250000 1.0080 0 + 313 A0 35 SER CA 11 0.100000 13.0190 0 + 314 A0 35 SER CB 12 0.250000 14.0270 0 + 315 A0 35 SER OG 45 -0.650000 15.9994 0 + 316 A0 35 SER HG 8 0.400000 1.0080 0 + 317 A0 35 SER C 14 0.600000 12.0110 0 + 318 A0 35 SER O 40 -0.550000 15.9994 0 + 319 A0 36 SER N 32 -0.400000 14.0067 0 + 320 A0 36 SER H 1 0.250000 1.0080 0 + 321 A0 36 SER CA 11 0.100000 13.0190 0 + 322 A0 36 SER CB 12 0.250000 14.0270 0 + 323 A0 36 SER OG 45 -0.650000 15.9994 0 + 324 A0 36 SER HG 8 0.400000 1.0080 0 + 325 A0 36 SER C 14 0.600000 12.0110 0 + 326 A0 36 SER O 40 -0.550000 15.9994 0 + 327 A0 37 ASN N 32 -0.400000 14.0067 0 + 328 A0 37 ASN H 1 0.250000 1.0080 0 + 329 A0 37 ASN CA 11 0.100000 13.0190 0 + 330 A0 37 ASN CB 12 0.000000 14.0270 0 + 331 A0 37 ASN CG 14 0.550000 12.0110 0 + 332 A0 37 ASN OD1 40 -0.550000 15.9994 0 + 333 A0 37 ASN ND2 32 -0.600000 14.0067 0 + 334 A0 37 ASN HD21 1 0.300000 1.0080 0 + 335 A0 37 ASN HD22 1 0.300000 1.0080 0 + 336 A0 37 ASN C 14 0.600000 12.0110 0 + 337 A0 37 ASN O 40 -0.550000 15.9994 0 + 338 A0 38 PHE N 32 -0.400000 14.0067 0 + 339 A0 38 PHE H 1 0.250000 1.0080 0 + 340 A0 38 PHE CA 11 0.100000 13.0190 0 + 341 A0 38 PHE CB 12 0.000000 14.0270 0 + 342 A0 38 PHE CG 22 0.000000 12.0110 0 + 343 A0 38 PHE CD1 24 0.000000 13.0190 0 + 344 A0 38 PHE CD2 24 0.000000 13.0190 0 + 345 A0 38 PHE CE1 24 0.000000 13.0190 0 + 346 A0 38 PHE CE2 24 0.000000 13.0190 0 + 347 A0 38 PHE CZ 24 0.000000 13.0190 0 + 348 A0 38 PHE C 14 0.600000 12.0110 0 + 349 A0 38 PHE O 40 -0.550000 15.9994 0 + 350 A0 39 ALA N 32 -0.400000 14.0067 0 + 351 A0 39 ALA H 1 0.250000 1.0080 0 + 352 A0 39 ALA CA 11 0.100000 13.0190 0 + 353 A0 39 ALA CB 13 0.000000 15.0350 0 + 354 A0 39 ALA C 14 0.600000 12.0110 0 + 355 A0 39 ALA O 40 -0.550000 15.9994 0 + 356 A0 40 VAL N 32 -0.400000 14.0067 0 + 357 A0 40 VAL H 1 0.250000 1.0080 0 + 358 A0 40 VAL CA 11 0.100000 13.0190 0 + 359 A0 40 VAL CB 11 0.000000 13.0190 0 + 360 A0 40 VAL CG1 13 0.000000 15.0350 0 + 361 A0 40 VAL CG2 13 0.000000 15.0350 0 + 362 A0 40 VAL C 14 0.600000 12.0110 0 + 363 A0 40 VAL O 40 -0.550000 15.9994 0 + 364 A0 41 GLY N 32 -0.400000 14.0067 0 + 365 A0 41 GLY H 1 0.250000 1.0080 0 + 366 A0 41 GLY CA 12 0.100000 14.0270 0 + 367 A0 41 GLY C 14 0.600000 12.0110 0 + 368 A0 41 GLY O 40 -0.550000 15.9994 0 + 369 A0 42 ALA N 32 -0.400000 14.0067 0 + 370 A0 42 ALA H 1 0.250000 1.0080 0 + 371 A0 42 ALA CA 11 0.100000 13.0190 0 + 372 A0 42 ALA CB 13 0.000000 15.0350 0 + 373 A0 42 ALA C 14 0.600000 12.0110 0 + 374 A0 42 ALA O 40 -0.550000 15.9994 0 + 375 A0 43 ALA N 32 -0.400000 14.0067 0 + 376 A0 43 ALA H 1 0.250000 1.0080 0 + 377 A0 43 ALA CA 11 0.100000 13.0190 0 + 378 A0 43 ALA CB 13 0.000000 15.0350 0 + 379 A0 43 ALA C 14 0.600000 12.0110 0 + 380 A0 43 ALA O 40 -0.550000 15.9994 0 + 381 A0 44 PRO N 33 -0.250000 14.0067 0 + 382 A0 44 PRO CD 12 0.100000 14.0270 0 + 383 A0 44 PRO CA 11 0.100000 13.0190 0 + 384 A0 44 PRO CB 12 0.000000 14.0270 0 + 385 A0 44 PRO CG 12 0.000000 14.0270 0 + 386 A0 44 PRO C 14 0.600000 12.0110 0 + 387 A0 44 PRO O 40 -0.550000 15.9994 0 + 388 A0 45 HIS N 32 -0.400000 14.0067 0 + 389 A0 45 HIS H 1 0.250000 1.0080 0 + 390 A0 45 HIS CA 11 0.100000 13.0190 0 + 391 A0 45 HIS CB 12 0.000000 14.0270 0 + 392 A0 45 HIS CG 21 0.100000 12.0110 0 + 393 A0 45 HIS ND1 34 -0.400000 14.0067 0 + 394 A0 45 HIS HD1 1 0.300000 1.0080 0 + 395 A0 45 HIS CD2 23 0.100000 13.0190 0 + 396 A0 45 HIS NE2 34 -0.400000 14.0067 0 + 397 A0 45 HIS CE1 23 0.300000 13.0190 0 + 398 A0 45 HIS C 14 0.600000 12.0110 0 + 399 A0 45 HIS O 40 -0.550000 15.9994 0 + 400 A0 46P SER N 32 -0.400000 14.0067 0 + 401 A0 46P SER H 1 0.250000 1.0080 0 + 402 A0 46P SER CA 11 0.100000 13.0190 0 + 403 A0 46P SER CB 12 0.250000 14.0270 0 + 404 A0 46P SER OG 45 -0.650000 15.9994 0 + 405 A0 46P SER HG 8 0.400000 1.0080 0 + 406 A0 46P SER C 14 0.600000 12.0110 0 + 407 A0 46P SER O 40 -0.550000 15.9994 0 + 408 A1 46 PRO N 33 -0.250000 14.0067 0 + 409 A1 46 PRO CD 12 0.100000 14.0270 0 + 410 A1 46 PRO CA 11 0.100000 13.0190 0 + 411 A1 46 PRO CB 12 0.000000 14.0270 0 + 412 A1 46 PRO CG 12 0.000000 14.0270 0 + 413 A1 46 PRO C 14 0.600000 12.0110 0 + 414 A1 46 PRO O 40 -0.550000 15.9994 0 + 415 A1 47P PHE N 32 -0.400000 14.0067 0 + 416 A1 47P PHE H 1 0.250000 1.0080 0 + 417 A1 47P PHE CA 11 0.100000 13.0190 0 + 418 A1 47P PHE CB 12 0.000000 14.0270 0 + 419 A1 47P PHE CG 22 0.000000 12.0110 0 + 420 A1 47P PHE CD1 24 0.000000 13.0190 0 + 421 A1 47P PHE CD2 24 0.000000 13.0190 0 + 422 A1 47P PHE CE1 24 0.000000 13.0190 0 + 423 A1 47P PHE CE2 24 0.000000 13.0190 0 + 424 A1 47P PHE CZ 24 0.000000 13.0190 0 + 425 A1 47P PHE C 14 0.600000 12.0110 0 + 426 A1 47P PHE O 40 -0.550000 15.9994 0 + 427 A2 47 PHE N 32 -0.400000 14.0067 0 + 428 A2 47 PHE H 1 0.250000 1.0080 0 + 429 A2 47 PHE CA 11 0.100000 13.0190 0 + 430 A2 47 PHE CB 12 0.000000 14.0270 0 + 431 A2 47 PHE CG 22 0.000000 12.0110 0 + 432 A2 47 PHE CD1 24 0.000000 13.0190 0 + 433 A2 47 PHE CD2 24 0.000000 13.0190 0 + 434 A2 47 PHE CE1 24 0.000000 13.0190 0 + 435 A2 47 PHE CE2 24 0.000000 13.0190 0 + 436 A2 47 PHE CZ 24 0.000000 13.0190 0 + 437 A2 47 PHE C 14 0.600000 12.0110 0 + 438 A2 47 PHE O 40 -0.550000 15.9994 0 + 439 A2 48P VAL N 32 -0.400000 14.0067 0 + 440 A2 48P VAL H 1 0.250000 1.0080 0 + 441 A2 48P VAL CA 11 0.100000 13.0190 0 + 442 A2 48P VAL CB 11 0.000000 13.0190 0 + 443 A2 48P VAL CG1 13 0.000000 15.0350 0 + 444 A2 48P VAL CG2 13 0.000000 15.0350 0 + 445 A2 48P VAL C 14 0.600000 12.0110 0 + 446 A2 48P VAL O 40 -0.550000 15.9994 0 + 447 A3 48 LEU N 32 -0.400000 14.0067 0 + 448 A3 48 LEU H 1 0.250000 1.0080 0 + 449 A3 48 LEU CA 11 0.100000 13.0190 0 + 450 A3 48 LEU CB 12 0.000000 14.0270 0 + 451 A3 48 LEU CG 11 0.000000 13.0190 0 + 452 A3 48 LEU CD1 13 0.000000 15.0350 0 + 453 A3 48 LEU CD2 13 0.000000 15.0350 0 + 454 A3 48 LEU C 14 0.600000 12.0110 0 + 455 A3 48 LEU O 40 -0.550000 15.9994 0 + 456 A3 49 HIS N 32 -0.400000 14.0067 0 + 457 A3 49 HIS H 1 0.250000 1.0080 0 + 458 A3 49 HIS CA 11 0.100000 13.0190 0 + 459 A3 49 HIS CB 12 0.000000 14.0270 0 + 460 A3 49 HIS CG 21 0.100000 12.0110 0 + 461 A3 49 HIS ND1 34 -0.400000 14.0067 0 + 462 A3 49 HIS HD1 1 0.300000 1.0080 0 + 463 A3 49 HIS CD2 23 0.100000 13.0190 0 + 464 A3 49 HIS NE2 34 -0.400000 14.0067 0 + 465 A3 49 HIS CE1 23 0.300000 13.0190 0 + 466 A3 49 HIS C 14 0.600000 12.0110 0 + 467 A3 49 HIS O 40 -0.550000 15.9994 0 + 468 A3 50 ARG N 32 -0.400000 14.0067 0 + 469 A3 50 ARG H 1 0.250000 1.0080 0 + 470 A3 50 ARG CA 11 0.100000 13.0190 0 + 471 A3 50 ARG CB 12 0.000000 14.0270 0 + 472 A3 50 ARG CG 12 0.000000 14.0270 0 + 473 A3 50 ARG CD 12 0.100000 14.0270 0 + 474 A3 50 ARG NE 32 -0.400000 14.0067 0 + 475 A3 50 ARG HE 1 0.300000 1.0080 0 + 476 A3 50 ARG CZ 14 0.500000 12.0110 0 + 477 A3 50 ARG NH1 37 -0.450000 14.0067 0 + 478 A3 50 ARG HH11 2 0.350000 1.0080 0 + 479 A3 50 ARG HH12 2 0.350000 1.0080 0 + 480 A3 50 ARG NH2 37 -0.450000 14.0067 0 + 481 A3 50 ARG HH21 2 0.350000 1.0080 0 + 482 A3 50 ARG HH22 2 0.350000 1.0080 0 + 483 A3 50 ARG C 14 0.600000 12.0110 0 + 484 A3 50 ARG O 40 -0.550000 15.9994 0 + 485 A3 51 TYR N 32 -0.400000 14.0067 0 + 486 A3 51 TYR H 1 0.250000 1.0080 0 + 487 A3 51 TYR CA 11 0.100000 13.0190 0 + 488 A3 51 TYR CB 12 0.000000 14.0270 0 + 489 A3 51 TYR CG 22 0.000000 12.0110 0 + 490 A3 51 TYR CD1 24 0.000000 13.0190 0 + 491 A3 51 TYR CE1 24 0.000000 13.0190 0 + 492 A3 51 TYR CD2 24 0.000000 13.0190 0 + 493 A3 51 TYR CE2 24 0.000000 13.0190 0 + 494 A3 51 TYR CZ 22 0.250000 12.0110 0 + 495 A3 51 TYR OH 45 -0.650000 15.9994 0 + 496 A3 51 TYR HH 8 0.400000 1.0080 0 + 497 A3 51 TYR C 14 0.600000 12.0110 0 + 498 A3 51 TYR O 40 -0.550000 15.9994 0 + 499 A3 52 TYR N 32 -0.400000 14.0067 0 + 500 A3 52 TYR H 1 0.250000 1.0080 0 + 501 A3 52 TYR CA 11 0.100000 13.0190 0 + 502 A3 52 TYR CB 12 0.000000 14.0270 0 + 503 A3 52 TYR CG 22 0.000000 12.0110 0 + 504 A3 52 TYR CD1 24 0.000000 13.0190 0 + 505 A3 52 TYR CE1 24 0.000000 13.0190 0 + 506 A3 52 TYR CD2 24 0.000000 13.0190 0 + 507 A3 52 TYR CE2 24 0.000000 13.0190 0 + 508 A3 52 TYR CZ 22 0.250000 12.0110 0 + 509 A3 52 TYR OH 45 -0.650000 15.9994 0 + 510 A3 52 TYR HH 8 0.400000 1.0080 0 + 511 A3 52 TYR C 14 0.600000 12.0110 0 + 512 A3 52 TYR O 40 -0.550000 15.9994 0 + 513 A3 53 GLN N 32 -0.400000 14.0067 0 + 514 A3 53 GLN H 1 0.250000 1.0080 0 + 515 A3 53 GLN CA 11 0.100000 13.0190 0 + 516 A3 53 GLN CB 12 0.000000 14.0270 0 + 517 A3 53 GLN CG 12 0.000000 14.0270 0 + 518 A3 53 GLN CD 14 0.550000 12.0110 0 + 519 A3 53 GLN OE1 40 -0.550000 15.9994 0 + 520 A3 53 GLN NE2 32 -0.600000 14.0067 0 + 521 A3 53 GLN HE21 1 0.300000 1.0080 0 + 522 A3 53 GLN HE22 1 0.300000 1.0080 0 + 523 A3 53 GLN C 14 0.600000 12.0110 0 + 524 A3 53 GLN O 40 -0.550000 15.9994 0 + 525 A3 54 ARG N 32 -0.400000 14.0067 0 + 526 A3 54 ARG H 1 0.250000 1.0080 0 + 527 A3 54 ARG CA 11 0.100000 13.0190 0 + 528 A3 54 ARG CB 12 0.000000 14.0270 0 + 529 A3 54 ARG CG 12 0.000000 14.0270 0 + 530 A3 54 ARG CD 12 0.100000 14.0270 0 + 531 A3 54 ARG NE 32 -0.400000 14.0067 0 + 532 A3 54 ARG HE 1 0.300000 1.0080 0 + 533 A3 54 ARG CZ 14 0.500000 12.0110 0 + 534 A3 54 ARG NH1 37 -0.450000 14.0067 0 + 535 A3 54 ARG HH11 2 0.350000 1.0080 0 + 536 A3 54 ARG HH12 2 0.350000 1.0080 0 + 537 A3 54 ARG NH2 37 -0.450000 14.0067 0 + 538 A3 54 ARG HH21 2 0.350000 1.0080 0 + 539 A3 54 ARG HH22 2 0.350000 1.0080 0 + 540 A3 54 ARG C 14 0.600000 12.0110 0 + 541 A3 54 ARG O 40 -0.550000 15.9994 0 + 542 A3 55 GLN N 32 -0.400000 14.0067 0 + 543 A3 55 GLN H 1 0.250000 1.0080 0 + 544 A3 55 GLN CA 11 0.100000 13.0190 0 + 545 A3 55 GLN CB 12 0.000000 14.0270 0 + 546 A3 55 GLN CG 12 0.000000 14.0270 0 + 547 A3 55 GLN CD 14 0.550000 12.0110 0 + 548 A3 55 GLN OE1 40 -0.550000 15.9994 0 + 549 A3 55 GLN NE2 32 -0.600000 14.0067 0 + 550 A3 55 GLN HE21 1 0.300000 1.0080 0 + 551 A3 55 GLN HE22 1 0.300000 1.0080 0 + 552 A3 55 GLN C 14 0.600000 12.0110 0 + 553 A3 55 GLN O 40 -0.550000 15.9994 0 + 554 A3 56 LEU N 32 -0.400000 14.0067 0 + 555 A3 56 LEU H 1 0.250000 1.0080 0 + 556 A3 56 LEU CA 11 0.100000 13.0190 0 + 557 A3 56 LEU CB 12 0.000000 14.0270 0 + 558 A3 56 LEU CG 11 0.000000 13.0190 0 + 559 A3 56 LEU CD1 13 0.000000 15.0350 0 + 560 A3 56 LEU CD2 13 0.000000 15.0350 0 + 561 A3 56 LEU C 14 0.600000 12.0110 0 + 562 A3 56 LEU O 40 -0.550000 15.9994 0 + 563 A3 57 SER N 32 -0.400000 14.0067 0 + 564 A3 57 SER H 1 0.250000 1.0080 0 + 565 A3 57 SER CA 11 0.100000 13.0190 0 + 566 A3 57 SER CB 12 0.250000 14.0270 0 + 567 A3 57 SER OG 45 -0.650000 15.9994 0 + 568 A3 57 SER HG 8 0.400000 1.0080 0 + 569 A3 57 SER C 14 0.600000 12.0110 0 + 570 A3 57 SER O 40 -0.550000 15.9994 0 + 571 A3 58 SER N 32 -0.400000 14.0067 0 + 572 A3 58 SER H 1 0.250000 1.0080 0 + 573 A3 58 SER CA 11 0.100000 13.0190 0 + 574 A3 58 SER CB 12 0.250000 14.0270 0 + 575 A3 58 SER OG 45 -0.650000 15.9994 0 + 576 A3 58 SER HG 8 0.400000 1.0080 0 + 577 A3 58 SER C 14 0.600000 12.0110 0 + 578 A3 58 SER O 40 -0.550000 15.9994 0 + 579 A3 59 THR N 32 -0.400000 14.0067 0 + 580 A3 59 THR H 1 0.250000 1.0080 0 + 581 A3 59 THR CA 11 0.100000 13.0190 0 + 582 A3 59 THR CB 11 0.250000 13.0190 0 + 583 A3 59 THR OG1 45 -0.650000 15.9994 0 + 584 A3 59 THR HG1 8 0.400000 1.0080 0 + 585 A3 59 THR CG2 13 0.000000 15.0350 0 + 586 A3 59 THR C 14 0.600000 12.0110 0 + 587 A3 59 THR O 40 -0.550000 15.9994 0 + 588 A3 60 TYR N 32 -0.400000 14.0067 0 + 589 A3 60 TYR H 1 0.250000 1.0080 0 + 590 A3 60 TYR CA 11 0.100000 13.0190 0 + 591 A3 60 TYR CB 12 0.000000 14.0270 0 + 592 A3 60 TYR CG 22 0.000000 12.0110 0 + 593 A3 60 TYR CD1 24 0.000000 13.0190 0 + 594 A3 60 TYR CE1 24 0.000000 13.0190 0 + 595 A3 60 TYR CD2 24 0.000000 13.0190 0 + 596 A3 60 TYR CE2 24 0.000000 13.0190 0 + 597 A3 60 TYR CZ 22 0.250000 12.0110 0 + 598 A3 60 TYR OH 45 -0.650000 15.9994 0 + 599 A3 60 TYR HH 8 0.400000 1.0080 0 + 600 A3 60 TYR C 14 0.600000 12.0110 0 + 601 A3 60 TYR O 40 -0.550000 15.9994 0 + 602 A3 61 ARG N 32 -0.400000 14.0067 0 + 603 A3 61 ARG H 1 0.250000 1.0080 0 + 604 A3 61 ARG CA 11 0.100000 13.0190 0 + 605 A3 61 ARG CB 12 0.000000 14.0270 0 + 606 A3 61 ARG CG 12 0.000000 14.0270 0 + 607 A3 61 ARG CD 12 0.100000 14.0270 0 + 608 A3 61 ARG NE 32 -0.400000 14.0067 0 + 609 A3 61 ARG HE 1 0.300000 1.0080 0 + 610 A3 61 ARG CZ 14 0.500000 12.0110 0 + 611 A3 61 ARG NH1 37 -0.450000 14.0067 0 + 612 A3 61 ARG HH11 2 0.350000 1.0080 0 + 613 A3 61 ARG HH12 2 0.350000 1.0080 0 + 614 A3 61 ARG NH2 37 -0.450000 14.0067 0 + 615 A3 61 ARG HH21 2 0.350000 1.0080 0 + 616 A3 61 ARG HH22 2 0.350000 1.0080 0 + 617 A3 61 ARG C 14 0.600000 12.0110 0 + 618 A3 61 ARG O 40 -0.550000 15.9994 0 + 619 A3 62 ASP N 32 -0.400000 14.0067 0 + 620 A3 62 ASP H 1 0.250000 1.0080 0 + 621 A3 62 ASP CA 11 0.100000 13.0190 0 + 622 A3 62 ASP CB 12 0.000000 14.0270 0 + 623 A3 62 ASP CG 14 0.140000 12.0110 0 + 624 A3 62 ASP OD1 43 -0.570000 15.9994 0 + 625 A3 62 ASP OD2 43 -0.570000 15.9994 0 + 626 A3 62 ASP C 14 0.600000 12.0110 0 + 627 A3 62 ASP O 40 -0.550000 15.9994 0 + 628 A3 63 LEU N 32 -0.400000 14.0067 0 + 629 A3 63 LEU H 1 0.250000 1.0080 0 + 630 A3 63 LEU CA 11 0.100000 13.0190 0 + 631 A3 63 LEU CB 12 0.000000 14.0270 0 + 632 A3 63 LEU CG 11 0.000000 13.0190 0 + 633 A3 63 LEU CD1 13 0.000000 15.0350 0 + 634 A3 63 LEU CD2 13 0.000000 15.0350 0 + 635 A3 63 LEU C 14 0.600000 12.0110 0 + 636 A3 63 LEU O 40 -0.550000 15.9994 0 + 637 A3 64 ARG N 32 -0.400000 14.0067 0 + 638 A3 64 ARG H 1 0.250000 1.0080 0 + 639 A3 64 ARG CA 11 0.100000 13.0190 0 + 640 A3 64 ARG CB 12 0.000000 14.0270 0 + 641 A3 64 ARG CG 12 0.000000 14.0270 0 + 642 A3 64 ARG CD 12 0.100000 14.0270 0 + 643 A3 64 ARG NE 32 -0.400000 14.0067 0 + 644 A3 64 ARG HE 1 0.300000 1.0080 0 + 645 A3 64 ARG CZ 14 0.500000 12.0110 0 + 646 A3 64 ARG NH1 37 -0.450000 14.0067 0 + 647 A3 64 ARG HH11 2 0.350000 1.0080 0 + 648 A3 64 ARG HH12 2 0.350000 1.0080 0 + 649 A3 64 ARG NH2 37 -0.450000 14.0067 0 + 650 A3 64 ARG HH21 2 0.350000 1.0080 0 + 651 A3 64 ARG HH22 2 0.350000 1.0080 0 + 652 A3 64 ARG C 14 0.600000 12.0110 0 + 653 A3 64 ARG O 40 -0.550000 15.9994 0 + 654 A3 65 LYS N 32 -0.400000 14.0067 0 + 655 A3 65 LYS H 1 0.250000 1.0080 0 + 656 A3 65 LYS CA 11 0.100000 13.0190 0 + 657 A3 65 LYS CB 12 0.000000 14.0270 0 + 658 A3 65 LYS CG 12 0.000000 14.0270 0 + 659 A3 65 LYS CD 12 0.000000 14.0270 0 + 660 A3 65 LYS CE 12 0.250000 14.0270 0 + 661 A3 65 LYS NZ 36 -0.300000 14.0067 0 + 662 A3 65 LYS HZ1 2 0.350000 1.0080 0 + 663 A3 65 LYS HZ2 2 0.350000 1.0080 0 + 664 A3 65 LYS HZ3 2 0.350000 1.0080 0 + 665 A3 65 LYS C 14 0.600000 12.0110 0 + 666 A3 65 LYS O 40 -0.550000 15.9994 0 + 667 A3 66 GLY N 32 -0.400000 14.0067 0 + 668 A3 66 GLY H 1 0.250000 1.0080 0 + 669 A3 66 GLY CA 12 0.100000 14.0270 0 + 670 A3 66 GLY C 14 0.600000 12.0110 0 + 671 A3 66 GLY O 40 -0.550000 15.9994 0 + 672 A3 67 VAL N 32 -0.400000 14.0067 0 + 673 A3 67 VAL H 1 0.250000 1.0080 0 + 674 A3 67 VAL CA 11 0.100000 13.0190 0 + 675 A3 67 VAL CB 11 0.000000 13.0190 0 + 676 A3 67 VAL CG1 13 0.000000 15.0350 0 + 677 A3 67 VAL CG2 13 0.000000 15.0350 0 + 678 A3 67 VAL C 14 0.600000 12.0110 0 + 679 A3 67 VAL O 40 -0.550000 15.9994 0 + 680 A3 68 TYR N 32 -0.400000 14.0067 0 + 681 A3 68 TYR H 1 0.250000 1.0080 0 + 682 A3 68 TYR CA 11 0.100000 13.0190 0 + 683 A3 68 TYR CB 12 0.000000 14.0270 0 + 684 A3 68 TYR CG 22 0.000000 12.0110 0 + 685 A3 68 TYR CD1 24 0.000000 13.0190 0 + 686 A3 68 TYR CE1 24 0.000000 13.0190 0 + 687 A3 68 TYR CD2 24 0.000000 13.0190 0 + 688 A3 68 TYR CE2 24 0.000000 13.0190 0 + 689 A3 68 TYR CZ 22 0.250000 12.0110 0 + 690 A3 68 TYR OH 45 -0.650000 15.9994 0 + 691 A3 68 TYR HH 8 0.400000 1.0080 0 + 692 A3 68 TYR C 14 0.600000 12.0110 0 + 693 A3 68 TYR O 40 -0.550000 15.9994 0 + 694 A3 69 VAL N 32 -0.400000 14.0067 0 + 695 A3 69 VAL H 1 0.250000 1.0080 0 + 696 A3 69 VAL CA 11 0.100000 13.0190 0 + 697 A3 69 VAL CB 11 0.000000 13.0190 0 + 698 A3 69 VAL CG1 13 0.000000 15.0350 0 + 699 A3 69 VAL CG2 13 0.000000 15.0350 0 + 700 A3 69 VAL C 14 0.600000 12.0110 0 + 701 A3 69 VAL O 40 -0.550000 15.9994 0 + 702 A3 70 PRO N 33 -0.250000 14.0067 0 + 703 A3 70 PRO CD 12 0.100000 14.0270 0 + 704 A3 70 PRO CA 11 0.100000 13.0190 0 + 705 A3 70 PRO CB 12 0.000000 14.0270 0 + 706 A3 70 PRO CG 12 0.000000 14.0270 0 + 707 A3 70 PRO C 14 0.600000 12.0110 0 + 708 A3 70 PRO O 40 -0.550000 15.9994 0 + 709 A3 71 TYR N 32 -0.400000 14.0067 0 + 710 A3 71 TYR H 1 0.250000 1.0080 0 + 711 A3 71 TYR CA 11 0.100000 13.0190 0 + 712 A3 71 TYR CB 12 0.000000 14.0270 0 + 713 A3 71 TYR CG 22 0.000000 12.0110 0 + 714 A3 71 TYR CD1 24 0.000000 13.0190 0 + 715 A3 71 TYR CE1 24 0.000000 13.0190 0 + 716 A3 71 TYR CD2 24 0.000000 13.0190 0 + 717 A3 71 TYR CE2 24 0.000000 13.0190 0 + 718 A3 71 TYR CZ 22 0.250000 12.0110 0 + 719 A3 71 TYR OH 45 -0.650000 15.9994 0 + 720 A3 71 TYR HH 8 0.400000 1.0080 0 + 721 A3 71 TYR C 14 0.600000 12.0110 0 + 722 A3 71 TYR O 40 -0.550000 15.9994 0 + 723 A3 72 THR N 32 -0.400000 14.0067 0 + 724 A3 72 THR H 1 0.250000 1.0080 0 + 725 A3 72 THR CA 11 0.100000 13.0190 0 + 726 A3 72 THR CB 11 0.250000 13.0190 0 + 727 A3 72 THR OG1 45 -0.650000 15.9994 0 + 728 A3 72 THR HG1 8 0.400000 1.0080 0 + 729 A3 72 THR CG2 13 0.000000 15.0350 0 + 730 A3 72 THR C 14 0.600000 12.0110 0 + 731 A3 72 THR O 40 -0.550000 15.9994 0 + 732 A3 73 GLN N 32 -0.400000 14.0067 0 + 733 A3 73 GLN H 1 0.250000 1.0080 0 + 734 A3 73 GLN CA 11 0.100000 13.0190 0 + 735 A3 73 GLN CB 12 0.000000 14.0270 0 + 736 A3 73 GLN CG 12 0.000000 14.0270 0 + 737 A3 73 GLN CD 14 0.550000 12.0110 0 + 738 A3 73 GLN OE1 40 -0.550000 15.9994 0 + 739 A3 73 GLN NE2 32 -0.600000 14.0067 0 + 740 A3 73 GLN HE21 1 0.300000 1.0080 0 + 741 A3 73 GLN HE22 1 0.300000 1.0080 0 + 742 A3 73 GLN C 14 0.600000 12.0110 0 + 743 A3 73 GLN O 40 -0.550000 15.9994 0 + 744 A3 74 GLY N 32 -0.400000 14.0067 0 + 745 A3 74 GLY H 1 0.250000 1.0080 0 + 746 A3 74 GLY CA 12 0.100000 14.0270 0 + 747 A3 74 GLY C 14 0.600000 12.0110 0 + 748 A3 74 GLY O 40 -0.550000 15.9994 0 + 749 A3 75 LYS N 32 -0.400000 14.0067 0 + 750 A3 75 LYS H 1 0.250000 1.0080 0 + 751 A3 75 LYS CA 11 0.100000 13.0190 0 + 752 A3 75 LYS CB 12 0.000000 14.0270 0 + 753 A3 75 LYS CG 12 0.000000 14.0270 0 + 754 A3 75 LYS CD 12 0.000000 14.0270 0 + 755 A3 75 LYS CE 12 0.250000 14.0270 0 + 756 A3 75 LYS NZ 36 -0.300000 14.0067 0 + 757 A3 75 LYS HZ1 2 0.350000 1.0080 0 + 758 A3 75 LYS HZ2 2 0.350000 1.0080 0 + 759 A3 75 LYS HZ3 2 0.350000 1.0080 0 + 760 A3 75 LYS C 14 0.600000 12.0110 0 + 761 A3 75 LYS O 40 -0.550000 15.9994 0 + 762 A3 76 TRP N 32 -0.400000 14.0067 0 + 763 A3 76 TRP H 1 0.250000 1.0080 0 + 764 A3 76 TRP CA 11 0.100000 13.0190 0 + 765 A3 76 TRP CB 12 0.000000 14.0270 0 + 766 A3 76 TRP CG 21 -0.030000 12.0110 0 + 767 A3 76 TRP CD2 26 0.100000 12.0110 0 + 768 A3 76 TRP CE2 26 -0.040000 12.0110 0 + 769 A3 76 TRP CE3 24 -0.030000 13.0190 0 + 770 A3 76 TRP CD1 23 0.060000 13.0190 0 + 771 A3 76 TRP NE1 34 -0.360000 14.0067 0 + 772 A3 76 TRP HE1 1 0.300000 1.0080 0 + 773 A3 76 TRP CZ2 24 0.000000 13.0190 0 + 774 A3 76 TRP CZ3 24 0.000000 13.0190 0 + 775 A3 76 TRP CH2 24 0.000000 13.0190 0 + 776 A3 76 TRP C 14 0.600000 12.0110 0 + 777 A3 76 TRP O 40 -0.550000 15.9994 0 + 778 A3 77 GLU N 32 -0.400000 14.0067 0 + 779 A3 77 GLU H 1 0.250000 1.0080 0 + 780 A3 77 GLU CA 11 0.100000 13.0190 0 + 781 A3 77 GLU CB 12 0.000000 14.0270 0 + 782 A3 77 GLU CG 12 0.000000 14.0270 0 + 783 A3 77 GLU CD 14 0.140000 12.0110 0 + 784 A3 77 GLU OE1 43 -0.570000 15.9994 0 + 785 A3 77 GLU OE2 43 -0.570000 15.9994 0 + 786 A3 77 GLU C 14 0.600000 12.0110 0 + 787 A3 77 GLU O 40 -0.550000 15.9994 0 + 788 A3 78 GLY N 32 -0.400000 14.0067 0 + 789 A3 78 GLY H 1 0.250000 1.0080 0 + 790 A3 78 GLY CA 12 0.100000 14.0270 0 + 791 A3 78 GLY C 14 0.600000 12.0110 0 + 792 A3 78 GLY O 40 -0.550000 15.9994 0 + 793 A3 79 GLU N 32 -0.400000 14.0067 0 + 794 A3 79 GLU H 1 0.250000 1.0080 0 + 795 A3 79 GLU CA 11 0.100000 13.0190 0 + 796 A3 79 GLU CB 12 0.000000 14.0270 0 + 797 A3 79 GLU CG 12 0.000000 14.0270 0 + 798 A3 79 GLU CD 14 0.140000 12.0110 0 + 799 A3 79 GLU OE1 43 -0.570000 15.9994 0 + 800 A3 79 GLU OE2 43 -0.570000 15.9994 0 + 801 A3 79 GLU C 14 0.600000 12.0110 0 + 802 A3 79 GLU O 40 -0.550000 15.9994 0 + 803 A3 80 LEU N 32 -0.400000 14.0067 0 + 804 A3 80 LEU H 1 0.250000 1.0080 0 + 805 A3 80 LEU CA 11 0.100000 13.0190 0 + 806 A3 80 LEU CB 12 0.000000 14.0270 0 + 807 A3 80 LEU CG 11 0.000000 13.0190 0 + 808 A3 80 LEU CD1 13 0.000000 15.0350 0 + 809 A3 80 LEU CD2 13 0.000000 15.0350 0 + 810 A3 80 LEU C 14 0.600000 12.0110 0 + 811 A3 80 LEU O 40 -0.550000 15.9994 0 + 812 A3 81 GLY N 32 -0.400000 14.0067 0 + 813 A3 81 GLY H 1 0.250000 1.0080 0 + 814 A3 81 GLY CA 12 0.100000 14.0270 0 + 815 A3 81 GLY C 14 0.600000 12.0110 0 + 816 A3 81 GLY O 40 -0.550000 15.9994 0 + 817 A3 82 THR N 32 -0.400000 14.0067 0 + 818 A3 82 THR H 1 0.250000 1.0080 0 + 819 A3 82 THR CA 11 0.100000 13.0190 0 + 820 A3 82 THR CB 11 0.250000 13.0190 0 + 821 A3 82 THR OG1 45 -0.650000 15.9994 0 + 822 A3 82 THR HG1 8 0.400000 1.0080 0 + 823 A3 82 THR CG2 13 0.000000 15.0350 0 + 824 A3 82 THR C 14 0.600000 12.0110 0 + 825 A3 82 THR O 40 -0.550000 15.9994 0 + 826 A3 83 ASP N 32 -0.400000 14.0067 0 + 827 A3 83 ASP H 1 0.250000 1.0080 0 + 828 A3 83 ASP CA 11 0.100000 13.0190 0 + 829 A3 83 ASP CB 12 0.000000 14.0270 0 + 830 A3 83 ASP CG 14 0.140000 12.0110 0 + 831 A3 83 ASP OD1 43 -0.570000 15.9994 0 + 832 A3 83 ASP OD2 43 -0.570000 15.9994 0 + 833 A3 83 ASP C 14 0.600000 12.0110 0 + 834 A3 83 ASP O 40 -0.550000 15.9994 0 + 835 A3 84 LEU N 32 -0.400000 14.0067 0 + 836 A3 84 LEU H 1 0.250000 1.0080 0 + 837 A3 84 LEU CA 11 0.100000 13.0190 0 + 838 A3 84 LEU CB 12 0.000000 14.0270 0 + 839 A3 84 LEU CG 11 0.000000 13.0190 0 + 840 A3 84 LEU CD1 13 0.000000 15.0350 0 + 841 A3 84 LEU CD2 13 0.000000 15.0350 0 + 842 A3 84 LEU C 14 0.600000 12.0110 0 + 843 A3 84 LEU O 40 -0.550000 15.9994 0 + 844 A3 85 VAL N 32 -0.400000 14.0067 0 + 845 A3 85 VAL H 1 0.250000 1.0080 0 + 846 A3 85 VAL CA 11 0.100000 13.0190 0 + 847 A3 85 VAL CB 11 0.000000 13.0190 0 + 848 A3 85 VAL CG1 13 0.000000 15.0350 0 + 849 A3 85 VAL CG2 13 0.000000 15.0350 0 + 850 A3 85 VAL C 14 0.600000 12.0110 0 + 851 A3 85 VAL O 40 -0.550000 15.9994 0 + 852 A3 86 SER N 32 -0.400000 14.0067 0 + 853 A3 86 SER H 1 0.250000 1.0080 0 + 854 A3 86 SER CA 11 0.100000 13.0190 0 + 855 A3 86 SER CB 12 0.250000 14.0270 0 + 856 A3 86 SER OG 45 -0.650000 15.9994 0 + 857 A3 86 SER HG 8 0.400000 1.0080 0 + 858 A3 86 SER C 14 0.600000 12.0110 0 + 859 A3 86 SER O 40 -0.550000 15.9994 0 + 860 A3 87 ILE N 32 -0.400000 14.0067 0 + 861 A3 87 ILE H 1 0.250000 1.0080 0 + 862 A3 87 ILE CA 11 0.100000 13.0190 0 + 863 A3 87 ILE CB 11 0.000000 13.0190 0 + 864 A3 87 ILE CG2 13 0.000000 15.0350 0 + 865 A3 87 ILE CG1 12 0.000000 14.0270 0 + 866 A3 87 ILE CD1 13 0.000000 15.0350 0 + 867 A3 87 ILE C 14 0.600000 12.0110 0 + 868 A3 87 ILE O 40 -0.550000 15.9994 0 + 869 A3 88 PRO N 33 -0.250000 14.0067 0 + 870 A3 88 PRO CD 12 0.100000 14.0270 0 + 871 A3 88 PRO CA 11 0.100000 13.0190 0 + 872 A3 88 PRO CB 12 0.000000 14.0270 0 + 873 A3 88 PRO CG 12 0.000000 14.0270 0 + 874 A3 88 PRO C 14 0.600000 12.0110 0 + 875 A3 88 PRO O 40 -0.550000 15.9994 0 + 876 A3 89 HIS N 32 -0.400000 14.0067 0 + 877 A3 89 HIS H 1 0.250000 1.0080 0 + 878 A3 89 HIS CA 11 0.100000 13.0190 0 + 879 A3 89 HIS CB 12 0.000000 14.0270 0 + 880 A3 89 HIS CG 21 0.100000 12.0110 0 + 881 A3 89 HIS ND1 34 -0.400000 14.0067 0 + 882 A3 89 HIS HD1 1 0.300000 1.0080 0 + 883 A3 89 HIS CD2 23 0.100000 13.0190 0 + 884 A3 89 HIS NE2 34 -0.400000 14.0067 0 + 885 A3 89 HIS CE1 23 0.300000 13.0190 0 + 886 A3 89 HIS C 14 0.600000 12.0110 0 + 887 A3 89 HIS O 40 -0.550000 15.9994 0 + 888 A3 90 GLY N 32 -0.400000 14.0067 0 + 889 A3 90 GLY H 1 0.250000 1.0080 0 + 890 A3 90 GLY CA 12 0.100000 14.0270 0 + 891 A3 90 GLY C 14 0.600000 12.0110 0 + 892 A3 90 GLY O 40 -0.550000 15.9994 0 + 893 A3 91 PRO N 33 -0.250000 14.0067 0 + 894 A3 91 PRO CD 12 0.100000 14.0270 0 + 895 A3 91 PRO CA 11 0.100000 13.0190 0 + 896 A3 91 PRO CB 12 0.000000 14.0270 0 + 897 A3 91 PRO CG 12 0.000000 14.0270 0 + 898 A3 91 PRO C 14 0.600000 12.0110 0 + 899 A3 91 PRO O 40 -0.550000 15.9994 0 + 900 A3 92 ASN N 32 -0.400000 14.0067 0 + 901 A3 92 ASN H 1 0.250000 1.0080 0 + 902 A3 92 ASN CA 11 0.100000 13.0190 0 + 903 A3 92 ASN CB 12 0.000000 14.0270 0 + 904 A3 92 ASN CG 14 0.550000 12.0110 0 + 905 A3 92 ASN OD1 40 -0.550000 15.9994 0 + 906 A3 92 ASN ND2 32 -0.600000 14.0067 0 + 907 A3 92 ASN HD21 1 0.300000 1.0080 0 + 908 A3 92 ASN HD22 1 0.300000 1.0080 0 + 909 A3 92 ASN C 14 0.600000 12.0110 0 + 910 A3 92 ASN O 40 -0.550000 15.9994 0 + 911 A3 93 VAL N 32 -0.400000 14.0067 0 + 912 A3 93 VAL H 1 0.250000 1.0080 0 + 913 A3 93 VAL CA 11 0.100000 13.0190 0 + 914 A3 93 VAL CB 11 0.000000 13.0190 0 + 915 A3 93 VAL CG1 13 0.000000 15.0350 0 + 916 A3 93 VAL CG2 13 0.000000 15.0350 0 + 917 A3 93 VAL C 14 0.600000 12.0110 0 + 918 A3 93 VAL O 40 -0.550000 15.9994 0 + 919 A3 94 THR N 32 -0.400000 14.0067 0 + 920 A3 94 THR H 1 0.250000 1.0080 0 + 921 A3 94 THR CA 11 0.100000 13.0190 0 + 922 A3 94 THR CB 11 0.250000 13.0190 0 + 923 A3 94 THR OG1 45 -0.650000 15.9994 0 + 924 A3 94 THR HG1 8 0.400000 1.0080 0 + 925 A3 94 THR CG2 13 0.000000 15.0350 0 + 926 A3 94 THR C 14 0.600000 12.0110 0 + 927 A3 94 THR O 40 -0.550000 15.9994 0 + 928 A3 95 VAL N 32 -0.400000 14.0067 0 + 929 A3 95 VAL H 1 0.250000 1.0080 0 + 930 A3 95 VAL CA 11 0.100000 13.0190 0 + 931 A3 95 VAL CB 11 0.000000 13.0190 0 + 932 A3 95 VAL CG1 13 0.000000 15.0350 0 + 933 A3 95 VAL CG2 13 0.000000 15.0350 0 + 934 A3 95 VAL C 14 0.600000 12.0110 0 + 935 A3 95 VAL O 40 -0.550000 15.9994 0 + 936 A3 96 ARG N 32 -0.400000 14.0067 0 + 937 A3 96 ARG H 1 0.250000 1.0080 0 + 938 A3 96 ARG CA 11 0.100000 13.0190 0 + 939 A3 96 ARG CB 12 0.000000 14.0270 0 + 940 A3 96 ARG CG 12 0.000000 14.0270 0 + 941 A3 96 ARG CD 12 0.100000 14.0270 0 + 942 A3 96 ARG NE 32 -0.400000 14.0067 0 + 943 A3 96 ARG HE 1 0.300000 1.0080 0 + 944 A3 96 ARG CZ 14 0.500000 12.0110 0 + 945 A3 96 ARG NH1 37 -0.450000 14.0067 0 + 946 A3 96 ARG HH11 2 0.350000 1.0080 0 + 947 A3 96 ARG HH12 2 0.350000 1.0080 0 + 948 A3 96 ARG NH2 37 -0.450000 14.0067 0 + 949 A3 96 ARG HH21 2 0.350000 1.0080 0 + 950 A3 96 ARG HH22 2 0.350000 1.0080 0 + 951 A3 96 ARG C 14 0.600000 12.0110 0 + 952 A3 96 ARG O 40 -0.550000 15.9994 0 + 953 A3 97 ALA N 32 -0.400000 14.0067 0 + 954 A3 97 ALA H 1 0.250000 1.0080 0 + 955 A3 97 ALA CA 11 0.100000 13.0190 0 + 956 A3 97 ALA CB 13 0.000000 15.0350 0 + 957 A3 97 ALA C 14 0.600000 12.0110 0 + 958 A3 97 ALA O 40 -0.550000 15.9994 0 + 959 A3 98 ASN N 32 -0.400000 14.0067 0 + 960 A3 98 ASN H 1 0.250000 1.0080 0 + 961 A3 98 ASN CA 11 0.100000 13.0190 0 + 962 A3 98 ASN CB 12 0.000000 14.0270 0 + 963 A3 98 ASN CG 14 0.550000 12.0110 0 + 964 A3 98 ASN OD1 40 -0.550000 15.9994 0 + 965 A3 98 ASN ND2 32 -0.600000 14.0067 0 + 966 A3 98 ASN HD21 1 0.300000 1.0080 0 + 967 A3 98 ASN HD22 1 0.300000 1.0080 0 + 968 A3 98 ASN C 14 0.600000 12.0110 0 + 969 A3 98 ASN O 40 -0.550000 15.9994 0 + 970 A3 99 ILE N 32 -0.400000 14.0067 0 + 971 A3 99 ILE H 1 0.250000 1.0080 0 + 972 A3 99 ILE CA 11 0.100000 13.0190 0 + 973 A3 99 ILE CB 11 0.000000 13.0190 0 + 974 A3 99 ILE CG2 13 0.000000 15.0350 0 + 975 A3 99 ILE CG1 12 0.000000 14.0270 0 + 976 A3 99 ILE CD1 13 0.000000 15.0350 0 + 977 A3 99 ILE C 14 0.600000 12.0110 0 + 978 A3 99 ILE O 40 -0.550000 15.9994 0 + 979 A3 100 ALA N 32 -0.400000 14.0067 0 + 980 A3 100 ALA H 1 0.250000 1.0080 0 + 981 A3 100 ALA CA 11 0.100000 13.0190 0 + 982 A3 100 ALA CB 13 0.000000 15.0350 0 + 983 A3 100 ALA C 14 0.600000 12.0110 0 + 984 A3 100 ALA O 40 -0.550000 15.9994 0 + 985 A3 101 ALA N 32 -0.400000 14.0067 0 + 986 A3 101 ALA H 1 0.250000 1.0080 0 + 987 A3 101 ALA CA 11 0.100000 13.0190 0 + 988 A3 101 ALA CB 13 0.000000 15.0350 0 + 989 A3 101 ALA C 14 0.600000 12.0110 0 + 990 A3 101 ALA O 40 -0.550000 15.9994 0 + 991 A3 102 ILE N 32 -0.400000 14.0067 0 + 992 A3 102 ILE H 1 0.250000 1.0080 0 + 993 A3 102 ILE CA 11 0.100000 13.0190 0 + 994 A3 102 ILE CB 11 0.000000 13.0190 0 + 995 A3 102 ILE CG2 13 0.000000 15.0350 0 + 996 A3 102 ILE CG1 12 0.000000 14.0270 0 + 997 A3 102 ILE CD1 13 0.000000 15.0350 0 + 998 A3 102 ILE C 14 0.600000 12.0110 0 + 999 A3 102 ILE O 40 -0.550000 15.9994 0 + 1000 A3 103 THR N 32 -0.400000 14.0067 0 + 1001 A3 103 THR H 1 0.250000 1.0080 0 + 1002 A3 103 THR CA 11 0.100000 13.0190 0 + 1003 A3 103 THR CB 11 0.250000 13.0190 0 + 1004 A3 103 THR OG1 45 -0.650000 15.9994 0 + 1005 A3 103 THR HG1 8 0.400000 1.0080 0 + 1006 A3 103 THR CG2 13 0.000000 15.0350 0 + 1007 A3 103 THR C 14 0.600000 12.0110 0 + 1008 A3 103 THR O 40 -0.550000 15.9994 0 + 1009 A3 104 GLU N 32 -0.400000 14.0067 0 + 1010 A3 104 GLU H 1 0.250000 1.0080 0 + 1011 A3 104 GLU CA 11 0.100000 13.0190 0 + 1012 A3 104 GLU CB 12 0.000000 14.0270 0 + 1013 A3 104 GLU CG 12 0.000000 14.0270 0 + 1014 A3 104 GLU CD 14 0.140000 12.0110 0 + 1015 A3 104 GLU OE1 43 -0.570000 15.9994 0 + 1016 A3 104 GLU OE2 43 -0.570000 15.9994 0 + 1017 A3 104 GLU C 14 0.600000 12.0110 0 + 1018 A3 104 GLU O 40 -0.550000 15.9994 0 + 1019 A3 105 SER N 32 -0.400000 14.0067 0 + 1020 A3 105 SER H 1 0.250000 1.0080 0 + 1021 A3 105 SER CA 11 0.100000 13.0190 0 + 1022 A3 105 SER CB 12 0.250000 14.0270 0 + 1023 A3 105 SER OG 45 -0.650000 15.9994 0 + 1024 A3 105 SER HG 8 0.400000 1.0080 0 + 1025 A3 105 SER C 14 0.600000 12.0110 0 + 1026 A3 105 SER O 40 -0.550000 15.9994 0 + 1027 A3 106 ASP N 32 -0.400000 14.0067 0 + 1028 A3 106 ASP H 1 0.250000 1.0080 0 + 1029 A3 106 ASP CA 11 0.100000 13.0190 0 + 1030 A3 106 ASP CB 12 0.000000 14.0270 0 + 1031 A3 106 ASP CG 14 0.140000 12.0110 0 + 1032 A3 106 ASP OD1 43 -0.570000 15.9994 0 + 1033 A3 106 ASP OD2 43 -0.570000 15.9994 0 + 1034 A3 106 ASP C 14 0.600000 12.0110 0 + 1035 A3 106 ASP O 40 -0.550000 15.9994 0 + 1036 A3 107 LYS N 32 -0.400000 14.0067 0 + 1037 A3 107 LYS H 1 0.250000 1.0080 0 + 1038 A3 107 LYS CA 11 0.100000 13.0190 0 + 1039 A3 107 LYS CB 12 0.000000 14.0270 0 + 1040 A3 107 LYS CG 12 0.000000 14.0270 0 + 1041 A3 107 LYS CD 12 0.000000 14.0270 0 + 1042 A3 107 LYS CE 12 0.250000 14.0270 0 + 1043 A3 107 LYS NZ 36 -0.300000 14.0067 0 + 1044 A3 107 LYS HZ1 2 0.350000 1.0080 0 + 1045 A3 107 LYS HZ2 2 0.350000 1.0080 0 + 1046 A3 107 LYS HZ3 2 0.350000 1.0080 0 + 1047 A3 107 LYS C 14 0.600000 12.0110 0 + 1048 A3 107 LYS O 40 -0.550000 15.9994 0 + 1049 A3 108 PHE N 32 -0.400000 14.0067 0 + 1050 A3 108 PHE H 1 0.250000 1.0080 0 + 1051 A3 108 PHE CA 11 0.100000 13.0190 0 + 1052 A3 108 PHE CB 12 0.000000 14.0270 0 + 1053 A3 108 PHE CG 22 0.000000 12.0110 0 + 1054 A3 108 PHE CD1 24 0.000000 13.0190 0 + 1055 A3 108 PHE CD2 24 0.000000 13.0190 0 + 1056 A3 108 PHE CE1 24 0.000000 13.0190 0 + 1057 A3 108 PHE CE2 24 0.000000 13.0190 0 + 1058 A3 108 PHE CZ 24 0.000000 13.0190 0 + 1059 A3 108 PHE C 14 0.600000 12.0110 0 + 1060 A3 108 PHE O 40 -0.550000 15.9994 0 + 1061 A3 109 PHE N 32 -0.400000 14.0067 0 + 1062 A3 109 PHE H 1 0.250000 1.0080 0 + 1063 A3 109 PHE CA 11 0.100000 13.0190 0 + 1064 A3 109 PHE CB 12 0.000000 14.0270 0 + 1065 A3 109 PHE CG 22 0.000000 12.0110 0 + 1066 A3 109 PHE CD1 24 0.000000 13.0190 0 + 1067 A3 109 PHE CD2 24 0.000000 13.0190 0 + 1068 A3 109 PHE CE1 24 0.000000 13.0190 0 + 1069 A3 109 PHE CE2 24 0.000000 13.0190 0 + 1070 A3 109 PHE CZ 24 0.000000 13.0190 0 + 1071 A3 109 PHE C 14 0.600000 12.0110 0 + 1072 A3 109 PHE O 40 -0.550000 15.9994 0 + 1073 A3 110 ILE N 32 -0.400000 14.0067 0 + 1074 A3 110 ILE H 1 0.250000 1.0080 0 + 1075 A3 110 ILE CA 11 0.100000 13.0190 0 + 1076 A3 110 ILE CB 11 0.000000 13.0190 0 + 1077 A3 110 ILE CG2 13 0.000000 15.0350 0 + 1078 A3 110 ILE CG1 12 0.000000 14.0270 0 + 1079 A3 110 ILE CD1 13 0.000000 15.0350 0 + 1080 A3 110 ILE C 14 0.600000 12.0110 0 + 1081 A3 110 ILE O 40 -0.550000 15.9994 0 + 1082 A3 111 ASN N 32 -0.400000 14.0067 0 + 1083 A3 111 ASN H 1 0.250000 1.0080 0 + 1084 A3 111 ASN CA 11 0.100000 13.0190 0 + 1085 A3 111 ASN CB 12 0.000000 14.0270 0 + 1086 A3 111 ASN CG 14 0.550000 12.0110 0 + 1087 A3 111 ASN OD1 40 -0.550000 15.9994 0 + 1088 A3 111 ASN ND2 32 -0.600000 14.0067 0 + 1089 A3 111 ASN HD21 1 0.300000 1.0080 0 + 1090 A3 111 ASN HD22 1 0.300000 1.0080 0 + 1091 A3 111 ASN C 14 0.600000 12.0110 0 + 1092 A3 111 ASN O 40 -0.550000 15.9994 0 + 1093 A3 112 GLY N 32 -0.400000 14.0067 0 + 1094 A3 112 GLY H 1 0.250000 1.0080 0 + 1095 A3 112 GLY CA 12 0.100000 14.0270 0 + 1096 A3 112 GLY C 14 0.600000 12.0110 0 + 1097 A3 112 GLY O 40 -0.550000 15.9994 0 + 1098 A3 113 SER N 32 -0.400000 14.0067 0 + 1099 A3 113 SER H 1 0.250000 1.0080 0 + 1100 A3 113 SER CA 11 0.100000 13.0190 0 + 1101 A3 113 SER CB 12 0.250000 14.0270 0 + 1102 A3 113 SER OG 45 -0.650000 15.9994 0 + 1103 A3 113 SER HG 8 0.400000 1.0080 0 + 1104 A3 113 SER C 14 0.600000 12.0110 0 + 1105 A3 113 SER O 40 -0.550000 15.9994 0 + 1106 A3 114 ASN N 32 -0.400000 14.0067 0 + 1107 A3 114 ASN H 1 0.250000 1.0080 0 + 1108 A3 114 ASN CA 11 0.100000 13.0190 0 + 1109 A3 114 ASN CB 12 0.000000 14.0270 0 + 1110 A3 114 ASN CG 14 0.550000 12.0110 0 + 1111 A3 114 ASN OD1 40 -0.550000 15.9994 0 + 1112 A3 114 ASN ND2 32 -0.600000 14.0067 0 + 1113 A3 114 ASN HD21 1 0.300000 1.0080 0 + 1114 A3 114 ASN HD22 1 0.300000 1.0080 0 + 1115 A3 114 ASN C 14 0.600000 12.0110 0 + 1116 A3 114 ASN O 40 -0.550000 15.9994 0 + 1117 A3 115 TRP N 32 -0.400000 14.0067 0 + 1118 A3 115 TRP H 1 0.250000 1.0080 0 + 1119 A3 115 TRP CA 11 0.100000 13.0190 0 + 1120 A3 115 TRP CB 12 0.000000 14.0270 0 + 1121 A3 115 TRP CG 21 -0.030000 12.0110 0 + 1122 A3 115 TRP CD2 26 0.100000 12.0110 0 + 1123 A3 115 TRP CE2 26 -0.040000 12.0110 0 + 1124 A3 115 TRP CE3 24 -0.030000 13.0190 0 + 1125 A3 115 TRP CD1 23 0.060000 13.0190 0 + 1126 A3 115 TRP NE1 34 -0.360000 14.0067 0 + 1127 A3 115 TRP HE1 1 0.300000 1.0080 0 + 1128 A3 115 TRP CZ2 24 0.000000 13.0190 0 + 1129 A3 115 TRP CZ3 24 0.000000 13.0190 0 + 1130 A3 115 TRP CH2 24 0.000000 13.0190 0 + 1131 A3 115 TRP C 14 0.600000 12.0110 0 + 1132 A3 115 TRP O 40 -0.550000 15.9994 0 + 1133 A3 116 GLU N 32 -0.400000 14.0067 0 + 1134 A3 116 GLU H 1 0.250000 1.0080 0 + 1135 A3 116 GLU CA 11 0.100000 13.0190 0 + 1136 A3 116 GLU CB 12 0.000000 14.0270 0 + 1137 A3 116 GLU CG 12 0.000000 14.0270 0 + 1138 A3 116 GLU CD 14 0.140000 12.0110 0 + 1139 A3 116 GLU OE1 43 -0.570000 15.9994 0 + 1140 A3 116 GLU OE2 43 -0.570000 15.9994 0 + 1141 A3 116 GLU C 14 0.600000 12.0110 0 + 1142 A3 116 GLU O 40 -0.550000 15.9994 0 + 1143 A3 117 GLY N 32 -0.400000 14.0067 0 + 1144 A3 117 GLY H 1 0.250000 1.0080 0 + 1145 A3 117 GLY CA 12 0.100000 14.0270 0 + 1146 A3 117 GLY C 14 0.600000 12.0110 0 + 1147 A3 117 GLY O 40 -0.550000 15.9994 0 + 1148 A3 118 ILE N 32 -0.400000 14.0067 0 + 1149 A3 118 ILE H 1 0.250000 1.0080 0 + 1150 A3 118 ILE CA 11 0.100000 13.0190 0 + 1151 A3 118 ILE CB 11 0.000000 13.0190 0 + 1152 A3 118 ILE CG2 13 0.000000 15.0350 0 + 1153 A3 118 ILE CG1 12 0.000000 14.0270 0 + 1154 A3 118 ILE CD1 13 0.000000 15.0350 0 + 1155 A3 118 ILE C 14 0.600000 12.0110 0 + 1156 A3 118 ILE O 40 -0.550000 15.9994 0 + 1157 A3 119 LEU N 32 -0.400000 14.0067 0 + 1158 A3 119 LEU H 1 0.250000 1.0080 0 + 1159 A3 119 LEU CA 11 0.100000 13.0190 0 + 1160 A3 119 LEU CB 12 0.000000 14.0270 0 + 1161 A3 119 LEU CG 11 0.000000 13.0190 0 + 1162 A3 119 LEU CD1 13 0.000000 15.0350 0 + 1163 A3 119 LEU CD2 13 0.000000 15.0350 0 + 1164 A3 119 LEU C 14 0.600000 12.0110 0 + 1165 A3 119 LEU O 40 -0.550000 15.9994 0 + 1166 A3 120 GLY N 32 -0.400000 14.0067 0 + 1167 A3 120 GLY H 1 0.250000 1.0080 0 + 1168 A3 120 GLY CA 12 0.100000 14.0270 0 + 1169 A3 120 GLY C 14 0.600000 12.0110 0 + 1170 A3 120 GLY O 40 -0.550000 15.9994 0 + 1171 A3 121 LEU N 32 -0.400000 14.0067 0 + 1172 A3 121 LEU H 1 0.250000 1.0080 0 + 1173 A3 121 LEU CA 11 0.100000 13.0190 0 + 1174 A3 121 LEU CB 12 0.000000 14.0270 0 + 1175 A3 121 LEU CG 11 0.000000 13.0190 0 + 1176 A3 121 LEU CD1 13 0.000000 15.0350 0 + 1177 A3 121 LEU CD2 13 0.000000 15.0350 0 + 1178 A3 121 LEU C 14 0.600000 12.0110 0 + 1179 A3 121 LEU O 40 -0.550000 15.9994 0 + 1180 A3 122 ALA N 32 -0.400000 14.0067 0 + 1181 A3 122 ALA H 1 0.250000 1.0080 0 + 1182 A3 122 ALA CA 11 0.100000 13.0190 0 + 1183 A3 122 ALA CB 13 0.000000 15.0350 0 + 1184 A3 122 ALA C 14 0.600000 12.0110 0 + 1185 A3 122 ALA O 40 -0.550000 15.9994 0 + 1186 A3 123 TYR N 32 -0.400000 14.0067 0 + 1187 A3 123 TYR H 1 0.250000 1.0080 0 + 1188 A3 123 TYR CA 11 0.100000 13.0190 0 + 1189 A3 123 TYR CB 12 0.000000 14.0270 0 + 1190 A3 123 TYR CG 22 0.000000 12.0110 0 + 1191 A3 123 TYR CD1 24 0.000000 13.0190 0 + 1192 A3 123 TYR CE1 24 0.000000 13.0190 0 + 1193 A3 123 TYR CD2 24 0.000000 13.0190 0 + 1194 A3 123 TYR CE2 24 0.000000 13.0190 0 + 1195 A3 123 TYR CZ 22 0.250000 12.0110 0 + 1196 A3 123 TYR OH 45 -0.650000 15.9994 0 + 1197 A3 123 TYR HH 8 0.400000 1.0080 0 + 1198 A3 123 TYR C 14 0.600000 12.0110 0 + 1199 A3 123 TYR O 40 -0.550000 15.9994 0 + 1200 A3 124 ALA N 32 -0.400000 14.0067 0 + 1201 A3 124 ALA H 1 0.250000 1.0080 0 + 1202 A3 124 ALA CA 11 0.100000 13.0190 0 + 1203 A3 124 ALA CB 13 0.000000 15.0350 0 + 1204 A3 124 ALA C 14 0.600000 12.0110 0 + 1205 A3 124 ALA O 40 -0.550000 15.9994 0 + 1206 A3 125 GLU N 32 -0.400000 14.0067 0 + 1207 A3 125 GLU H 1 0.250000 1.0080 0 + 1208 A3 125 GLU CA 11 0.100000 13.0190 0 + 1209 A3 125 GLU CB 12 0.000000 14.0270 0 + 1210 A3 125 GLU CG 12 0.000000 14.0270 0 + 1211 A3 125 GLU CD 14 0.140000 12.0110 0 + 1212 A3 125 GLU OE1 43 -0.570000 15.9994 0 + 1213 A3 125 GLU OE2 43 -0.570000 15.9994 0 + 1214 A3 125 GLU C 14 0.600000 12.0110 0 + 1215 A3 125 GLU O 40 -0.550000 15.9994 0 + 1216 A3 126 ILE N 32 -0.400000 14.0067 0 + 1217 A3 126 ILE H 1 0.250000 1.0080 0 + 1218 A3 126 ILE CA 11 0.100000 13.0190 0 + 1219 A3 126 ILE CB 11 0.000000 13.0190 0 + 1220 A3 126 ILE CG2 13 0.000000 15.0350 0 + 1221 A3 126 ILE CG1 12 0.000000 14.0270 0 + 1222 A3 126 ILE CD1 13 0.000000 15.0350 0 + 1223 A3 126 ILE C 14 0.600000 12.0110 0 + 1224 A3 126 ILE O 40 -0.550000 15.9994 0 + 1225 A3 127 ALA N 32 -0.400000 14.0067 0 + 1226 A3 127 ALA H 1 0.250000 1.0080 0 + 1227 A3 127 ALA CA 11 0.100000 13.0190 0 + 1228 A3 127 ALA CB 13 0.000000 15.0350 0 + 1229 A3 127 ALA C 14 0.600000 12.0110 0 + 1230 A3 127 ALA O 40 -0.550000 15.9994 0 + 1231 A3 128 ARG N 32 -0.400000 14.0067 0 + 1232 A3 128 ARG H 1 0.250000 1.0080 0 + 1233 A3 128 ARG CA 11 0.100000 13.0190 0 + 1234 A3 128 ARG CB 12 0.000000 14.0270 0 + 1235 A3 128 ARG CG 12 0.000000 14.0270 0 + 1236 A3 128 ARG CD 12 0.100000 14.0270 0 + 1237 A3 128 ARG NE 32 -0.400000 14.0067 0 + 1238 A3 128 ARG HE 1 0.300000 1.0080 0 + 1239 A3 128 ARG CZ 14 0.500000 12.0110 0 + 1240 A3 128 ARG NH1 37 -0.450000 14.0067 0 + 1241 A3 128 ARG HH11 2 0.350000 1.0080 0 + 1242 A3 128 ARG HH12 2 0.350000 1.0080 0 + 1243 A3 128 ARG NH2 37 -0.450000 14.0067 0 + 1244 A3 128 ARG HH21 2 0.350000 1.0080 0 + 1245 A3 128 ARG HH22 2 0.350000 1.0080 0 + 1246 A3 128 ARG C 14 0.600000 12.0110 0 + 1247 A3 128 ARG O 40 -0.550000 15.9994 0 + 1248 A3 129 PRO N 33 -0.250000 14.0067 0 + 1249 A3 129 PRO CD 12 0.100000 14.0270 0 + 1250 A3 129 PRO CA 11 0.100000 13.0190 0 + 1251 A3 129 PRO CB 12 0.000000 14.0270 0 + 1252 A3 129 PRO CG 12 0.000000 14.0270 0 + 1253 A3 129 PRO C 14 0.600000 12.0110 0 + 1254 A3 129 PRO O 40 -0.550000 15.9994 0 + 1255 A3 130 ASP N 32 -0.400000 14.0067 0 + 1256 A3 130 ASP H 1 0.250000 1.0080 0 + 1257 A3 130 ASP CA 11 0.100000 13.0190 0 + 1258 A3 130 ASP CB 12 0.000000 14.0270 0 + 1259 A3 130 ASP CG 14 0.140000 12.0110 0 + 1260 A3 130 ASP OD1 43 -0.570000 15.9994 0 + 1261 A3 130 ASP OD2 43 -0.570000 15.9994 0 + 1262 A3 130 ASP C 14 0.600000 12.0110 0 + 1263 A3 130 ASP O 40 -0.550000 15.9994 0 + 1264 A3 131 ASP N 32 -0.400000 14.0067 0 + 1265 A3 131 ASP H 1 0.250000 1.0080 0 + 1266 A3 131 ASP CA 11 0.100000 13.0190 0 + 1267 A3 131 ASP CB 12 0.000000 14.0270 0 + 1268 A3 131 ASP CG 14 0.140000 12.0110 0 + 1269 A3 131 ASP OD1 43 -0.570000 15.9994 0 + 1270 A3 131 ASP OD2 43 -0.570000 15.9994 0 + 1271 A3 131 ASP C 14 0.600000 12.0110 0 + 1272 A3 131 ASP O 40 -0.550000 15.9994 0 + 1273 A3 132 SER N 32 -0.400000 14.0067 0 + 1274 A3 132 SER H 1 0.250000 1.0080 0 + 1275 A3 132 SER CA 11 0.100000 13.0190 0 + 1276 A3 132 SER CB 12 0.250000 14.0270 0 + 1277 A3 132 SER OG 45 -0.650000 15.9994 0 + 1278 A3 132 SER HG 8 0.400000 1.0080 0 + 1279 A3 132 SER C 14 0.600000 12.0110 0 + 1280 A3 132 SER O 40 -0.550000 15.9994 0 + 1281 A3 133 LEU N 32 -0.400000 14.0067 0 + 1282 A3 133 LEU H 1 0.250000 1.0080 0 + 1283 A3 133 LEU CA 11 0.100000 13.0190 0 + 1284 A3 133 LEU CB 12 0.000000 14.0270 0 + 1285 A3 133 LEU CG 11 0.000000 13.0190 0 + 1286 A3 133 LEU CD1 13 0.000000 15.0350 0 + 1287 A3 133 LEU CD2 13 0.000000 15.0350 0 + 1288 A3 133 LEU C 14 0.600000 12.0110 0 + 1289 A3 133 LEU O 40 -0.550000 15.9994 0 + 1290 A3 134 GLU N 32 -0.400000 14.0067 0 + 1291 A3 134 GLU H 1 0.250000 1.0080 0 + 1292 A3 134 GLU CA 11 0.100000 13.0190 0 + 1293 A3 134 GLU CB 12 0.000000 14.0270 0 + 1294 A3 134 GLU CG 12 0.000000 14.0270 0 + 1295 A3 134 GLU CD 14 0.140000 12.0110 0 + 1296 A3 134 GLU OE1 43 -0.570000 15.9994 0 + 1297 A3 134 GLU OE2 43 -0.570000 15.9994 0 + 1298 A3 134 GLU C 14 0.600000 12.0110 0 + 1299 A3 134 GLU O 40 -0.550000 15.9994 0 + 1300 A3 135 PRO N 33 -0.250000 14.0067 0 + 1301 A3 135 PRO CD 12 0.100000 14.0270 0 + 1302 A3 135 PRO CA 11 0.100000 13.0190 0 + 1303 A3 135 PRO CB 12 0.000000 14.0270 0 + 1304 A3 135 PRO CG 12 0.000000 14.0270 0 + 1305 A3 135 PRO C 14 0.600000 12.0110 0 + 1306 A3 135 PRO O 40 -0.550000 15.9994 0 + 1307 A3 136 PHE N 32 -0.400000 14.0067 0 + 1308 A3 136 PHE H 1 0.250000 1.0080 0 + 1309 A3 136 PHE CA 11 0.100000 13.0190 0 + 1310 A3 136 PHE CB 12 0.000000 14.0270 0 + 1311 A3 136 PHE CG 22 0.000000 12.0110 0 + 1312 A3 136 PHE CD1 24 0.000000 13.0190 0 + 1313 A3 136 PHE CD2 24 0.000000 13.0190 0 + 1314 A3 136 PHE CE1 24 0.000000 13.0190 0 + 1315 A3 136 PHE CE2 24 0.000000 13.0190 0 + 1316 A3 136 PHE CZ 24 0.000000 13.0190 0 + 1317 A3 136 PHE C 14 0.600000 12.0110 0 + 1318 A3 136 PHE O 40 -0.550000 15.9994 0 + 1319 A3 137 PHE N 32 -0.400000 14.0067 0 + 1320 A3 137 PHE H 1 0.250000 1.0080 0 + 1321 A3 137 PHE CA 11 0.100000 13.0190 0 + 1322 A3 137 PHE CB 12 0.000000 14.0270 0 + 1323 A3 137 PHE CG 22 0.000000 12.0110 0 + 1324 A3 137 PHE CD1 24 0.000000 13.0190 0 + 1325 A3 137 PHE CD2 24 0.000000 13.0190 0 + 1326 A3 137 PHE CE1 24 0.000000 13.0190 0 + 1327 A3 137 PHE CE2 24 0.000000 13.0190 0 + 1328 A3 137 PHE CZ 24 0.000000 13.0190 0 + 1329 A3 137 PHE C 14 0.600000 12.0110 0 + 1330 A3 137 PHE O 40 -0.550000 15.9994 0 + 1331 A3 138 ASP N 32 -0.400000 14.0067 0 + 1332 A3 138 ASP H 1 0.250000 1.0080 0 + 1333 A3 138 ASP CA 11 0.100000 13.0190 0 + 1334 A3 138 ASP CB 12 0.000000 14.0270 0 + 1335 A3 138 ASP CG 14 0.140000 12.0110 0 + 1336 A3 138 ASP OD1 43 -0.570000 15.9994 0 + 1337 A3 138 ASP OD2 43 -0.570000 15.9994 0 + 1338 A3 138 ASP C 14 0.600000 12.0110 0 + 1339 A3 138 ASP O 40 -0.550000 15.9994 0 + 1340 A3 139 SER N 32 -0.400000 14.0067 0 + 1341 A3 139 SER H 1 0.250000 1.0080 0 + 1342 A3 139 SER CA 11 0.100000 13.0190 0 + 1343 A3 139 SER CB 12 0.250000 14.0270 0 + 1344 A3 139 SER OG 45 -0.650000 15.9994 0 + 1345 A3 139 SER HG 8 0.400000 1.0080 0 + 1346 A3 139 SER C 14 0.600000 12.0110 0 + 1347 A3 139 SER O 40 -0.550000 15.9994 0 + 1348 A3 140 LEU N 32 -0.400000 14.0067 0 + 1349 A3 140 LEU H 1 0.250000 1.0080 0 + 1350 A3 140 LEU CA 11 0.100000 13.0190 0 + 1351 A3 140 LEU CB 12 0.000000 14.0270 0 + 1352 A3 140 LEU CG 11 0.000000 13.0190 0 + 1353 A3 140 LEU CD1 13 0.000000 15.0350 0 + 1354 A3 140 LEU CD2 13 0.000000 15.0350 0 + 1355 A3 140 LEU C 14 0.600000 12.0110 0 + 1356 A3 140 LEU O 40 -0.550000 15.9994 0 + 1357 A3 141 VAL N 32 -0.400000 14.0067 0 + 1358 A3 141 VAL H 1 0.250000 1.0080 0 + 1359 A3 141 VAL CA 11 0.100000 13.0190 0 + 1360 A3 141 VAL CB 11 0.000000 13.0190 0 + 1361 A3 141 VAL CG1 13 0.000000 15.0350 0 + 1362 A3 141 VAL CG2 13 0.000000 15.0350 0 + 1363 A3 141 VAL C 14 0.600000 12.0110 0 + 1364 A3 141 VAL O 40 -0.550000 15.9994 0 + 1365 A3 142 LYS N 32 -0.400000 14.0067 0 + 1366 A3 142 LYS H 1 0.250000 1.0080 0 + 1367 A3 142 LYS CA 11 0.100000 13.0190 0 + 1368 A3 142 LYS CB 12 0.000000 14.0270 0 + 1369 A3 142 LYS CG 12 0.000000 14.0270 0 + 1370 A3 142 LYS CD 12 0.000000 14.0270 0 + 1371 A3 142 LYS CE 12 0.250000 14.0270 0 + 1372 A3 142 LYS NZ 36 -0.300000 14.0067 0 + 1373 A3 142 LYS HZ1 2 0.350000 1.0080 0 + 1374 A3 142 LYS HZ2 2 0.350000 1.0080 0 + 1375 A3 142 LYS HZ3 2 0.350000 1.0080 0 + 1376 A3 142 LYS C 14 0.600000 12.0110 0 + 1377 A3 142 LYS O 40 -0.550000 15.9994 0 + 1378 A3 143 GLN N 32 -0.400000 14.0067 0 + 1379 A3 143 GLN H 1 0.250000 1.0080 0 + 1380 A3 143 GLN CA 11 0.100000 13.0190 0 + 1381 A3 143 GLN CB 12 0.000000 14.0270 0 + 1382 A3 143 GLN CG 12 0.000000 14.0270 0 + 1383 A3 143 GLN CD 14 0.550000 12.0110 0 + 1384 A3 143 GLN OE1 40 -0.550000 15.9994 0 + 1385 A3 143 GLN NE2 32 -0.600000 14.0067 0 + 1386 A3 143 GLN HE21 1 0.300000 1.0080 0 + 1387 A3 143 GLN HE22 1 0.300000 1.0080 0 + 1388 A3 143 GLN C 14 0.600000 12.0110 0 + 1389 A3 143 GLN O 40 -0.550000 15.9994 0 + 1390 A3 144 THR N 32 -0.400000 14.0067 0 + 1391 A3 144 THR H 1 0.250000 1.0080 0 + 1392 A3 144 THR CA 11 0.100000 13.0190 0 + 1393 A3 144 THR CB 11 0.250000 13.0190 0 + 1394 A3 144 THR OG1 45 -0.650000 15.9994 0 + 1395 A3 144 THR HG1 8 0.400000 1.0080 0 + 1396 A3 144 THR CG2 13 0.000000 15.0350 0 + 1397 A3 144 THR C 14 0.600000 12.0110 0 + 1398 A3 144 THR O 40 -0.550000 15.9994 0 + 1399 A3 145 HIS N 32 -0.400000 14.0067 0 + 1400 A3 145 HIS H 1 0.250000 1.0080 0 + 1401 A3 145 HIS CA 11 0.100000 13.0190 0 + 1402 A3 145 HIS CB 12 0.000000 14.0270 0 + 1403 A3 145 HIS CG 21 0.100000 12.0110 0 + 1404 A3 145 HIS ND1 34 -0.400000 14.0067 0 + 1405 A3 145 HIS HD1 1 0.300000 1.0080 0 + 1406 A3 145 HIS CD2 23 0.100000 13.0190 0 + 1407 A3 145 HIS NE2 34 -0.400000 14.0067 0 + 1408 A3 145 HIS CE1 23 0.300000 13.0190 0 + 1409 A3 145 HIS C 14 0.600000 12.0110 0 + 1410 A3 145 HIS O 40 -0.550000 15.9994 0 + 1411 A3 146 VAL N 32 -0.400000 14.0067 0 + 1412 A3 146 VAL H 1 0.250000 1.0080 0 + 1413 A3 146 VAL CA 11 0.100000 13.0190 0 + 1414 A3 146 VAL CB 11 0.000000 13.0190 0 + 1415 A3 146 VAL CG1 13 0.000000 15.0350 0 + 1416 A3 146 VAL CG2 13 0.000000 15.0350 0 + 1417 A3 146 VAL C 14 0.600000 12.0110 0 + 1418 A3 146 VAL O 40 -0.550000 15.9994 0 + 1419 A3 147 PRO N 33 -0.250000 14.0067 0 + 1420 A3 147 PRO CD 12 0.100000 14.0270 0 + 1421 A3 147 PRO CA 11 0.100000 13.0190 0 + 1422 A3 147 PRO CB 12 0.000000 14.0270 0 + 1423 A3 147 PRO CG 12 0.000000 14.0270 0 + 1424 A3 147 PRO C 14 0.600000 12.0110 0 + 1425 A3 147 PRO O 40 -0.550000 15.9994 0 + 1426 A3 148 ASN N 32 -0.400000 14.0067 0 + 1427 A3 148 ASN H 1 0.250000 1.0080 0 + 1428 A3 148 ASN CA 11 0.100000 13.0190 0 + 1429 A3 148 ASN CB 12 0.000000 14.0270 0 + 1430 A3 148 ASN CG 14 0.550000 12.0110 0 + 1431 A3 148 ASN OD1 40 -0.550000 15.9994 0 + 1432 A3 148 ASN ND2 32 -0.600000 14.0067 0 + 1433 A3 148 ASN HD21 1 0.300000 1.0080 0 + 1434 A3 148 ASN HD22 1 0.300000 1.0080 0 + 1435 A3 148 ASN C 14 0.600000 12.0110 0 + 1436 A3 148 ASN O 40 -0.550000 15.9994 0 + 1437 A3 149 LEU N 32 -0.400000 14.0067 0 + 1438 A3 149 LEU H 1 0.250000 1.0080 0 + 1439 A3 149 LEU CA 11 0.100000 13.0190 0 + 1440 A3 149 LEU CB 12 0.000000 14.0270 0 + 1441 A3 149 LEU CG 11 0.000000 13.0190 0 + 1442 A3 149 LEU CD1 13 0.000000 15.0350 0 + 1443 A3 149 LEU CD2 13 0.000000 15.0350 0 + 1444 A3 149 LEU C 14 0.600000 12.0110 0 + 1445 A3 149 LEU O 40 -0.550000 15.9994 0 + 1446 A3 150 PHE N 32 -0.400000 14.0067 0 + 1447 A3 150 PHE H 1 0.250000 1.0080 0 + 1448 A3 150 PHE CA 11 0.100000 13.0190 0 + 1449 A3 150 PHE CB 12 0.000000 14.0270 0 + 1450 A3 150 PHE CG 22 0.000000 12.0110 0 + 1451 A3 150 PHE CD1 24 0.000000 13.0190 0 + 1452 A3 150 PHE CD2 24 0.000000 13.0190 0 + 1453 A3 150 PHE CE1 24 0.000000 13.0190 0 + 1454 A3 150 PHE CE2 24 0.000000 13.0190 0 + 1455 A3 150 PHE CZ 24 0.000000 13.0190 0 + 1456 A3 150 PHE C 14 0.600000 12.0110 0 + 1457 A3 150 PHE O 40 -0.550000 15.9994 0 + 1458 A3 151 SER N 32 -0.400000 14.0067 0 + 1459 A3 151 SER H 1 0.250000 1.0080 0 + 1460 A3 151 SER CA 11 0.100000 13.0190 0 + 1461 A3 151 SER CB 12 0.250000 14.0270 0 + 1462 A3 151 SER OG 45 -0.650000 15.9994 0 + 1463 A3 151 SER HG 8 0.400000 1.0080 0 + 1464 A3 151 SER C 14 0.600000 12.0110 0 + 1465 A3 151 SER O 40 -0.550000 15.9994 0 + 1466 A3 152 LEU N 32 -0.400000 14.0067 0 + 1467 A3 152 LEU H 1 0.250000 1.0080 0 + 1468 A3 152 LEU CA 11 0.100000 13.0190 0 + 1469 A3 152 LEU CB 12 0.000000 14.0270 0 + 1470 A3 152 LEU CG 11 0.000000 13.0190 0 + 1471 A3 152 LEU CD1 13 0.000000 15.0350 0 + 1472 A3 152 LEU CD2 13 0.000000 15.0350 0 + 1473 A3 152 LEU C 14 0.600000 12.0110 0 + 1474 A3 152 LEU O 40 -0.550000 15.9994 0 + 1475 A3 153 GLN N 32 -0.400000 14.0067 0 + 1476 A3 153 GLN H 1 0.250000 1.0080 0 + 1477 A3 153 GLN CA 11 0.100000 13.0190 0 + 1478 A3 153 GLN CB 12 0.000000 14.0270 0 + 1479 A3 153 GLN CG 12 0.000000 14.0270 0 + 1480 A3 153 GLN CD 14 0.550000 12.0110 0 + 1481 A3 153 GLN OE1 40 -0.550000 15.9994 0 + 1482 A3 153 GLN NE2 32 -0.600000 14.0067 0 + 1483 A3 153 GLN HE21 1 0.300000 1.0080 0 + 1484 A3 153 GLN HE22 1 0.300000 1.0080 0 + 1485 A3 153 GLN C 14 0.600000 12.0110 0 + 1486 A3 153 GLN O 40 -0.550000 15.9994 0 + 1487 A3 154 LEU N 32 -0.400000 14.0067 0 + 1488 A3 154 LEU H 1 0.250000 1.0080 0 + 1489 A3 154 LEU CA 11 0.100000 13.0190 0 + 1490 A3 154 LEU CB 12 0.000000 14.0270 0 + 1491 A3 154 LEU CG 11 0.000000 13.0190 0 + 1492 A3 154 LEU CD1 13 0.000000 15.0350 0 + 1493 A3 154 LEU CD2 13 0.000000 15.0350 0 + 1494 A3 154 LEU C 14 0.600000 12.0110 0 + 1495 A3 154 LEU O 40 -0.550000 15.9994 0 + 1496 A3 155 CYS N 32 -0.400000 14.0067 0 + 1497 A3 155 CYS H 1 0.250000 1.0080 0 + 1498 A3 155 CYS CA 11 0.100000 13.0190 0 + 1499 A3 155 CYS CB 12 0.190000 14.0270 0 + 1500 A3 155 CYS SG 70 -0.190000 32.0600 0 + 1501 A3 155 CYS C 14 0.600000 12.0110 0 + 1502 A3 155 CYS O 40 -0.550000 15.9994 0 + 1503 A3 156 GLY N 32 -0.400000 14.0067 0 + 1504 A3 156 GLY H 1 0.250000 1.0080 0 + 1505 A3 156 GLY CA 12 0.100000 14.0270 0 + 1506 A3 156 GLY C 14 0.600000 12.0110 0 + 1507 A3 156 GLY O 40 -0.550000 15.9994 0 + 1508 A3 157 ALA N 32 -0.400000 14.0067 0 + 1509 A3 157 ALA H 1 0.250000 1.0080 0 + 1510 A3 157 ALA CA 11 0.100000 13.0190 0 + 1511 A3 157 ALA CB 13 0.000000 15.0350 0 + 1512 A3 157 ALA C 14 0.600000 12.0110 0 + 1513 A3 157 ALA O 40 -0.550000 15.9994 0 + 1514 A4 169 SER N 32 -0.400000 14.0067 0 + 1515 A4 169 SER H 1 0.250000 1.0080 0 + 1516 A4 169 SER CA 11 0.100000 13.0190 0 + 1517 A4 169 SER CB 12 0.250000 14.0270 0 + 1518 A4 169 SER OG 45 -0.650000 15.9994 0 + 1519 A4 169 SER HG 8 0.400000 1.0080 0 + 1520 A4 169 SER C 14 0.600000 12.0110 0 + 1521 A4 169 SER O 40 -0.550000 15.9994 0 + 1522 A4 170 VAL N 32 -0.400000 14.0067 0 + 1523 A4 170 VAL H 1 0.250000 1.0080 0 + 1524 A4 170 VAL CA 11 0.100000 13.0190 0 + 1525 A4 170 VAL CB 11 0.000000 13.0190 0 + 1526 A4 170 VAL CG1 13 0.000000 15.0350 0 + 1527 A4 170 VAL CG2 13 0.000000 15.0350 0 + 1528 A4 170 VAL C 14 0.600000 12.0110 0 + 1529 A4 170 VAL O 40 -0.550000 15.9994 0 + 1530 A4 171 GLY N 32 -0.400000 14.0067 0 + 1531 A4 171 GLY H 1 0.250000 1.0080 0 + 1532 A4 171 GLY CA 12 0.100000 14.0270 0 + 1533 A4 171 GLY C 14 0.600000 12.0110 0 + 1534 A4 171 GLY O 40 -0.550000 15.9994 0 + 1535 A4 172 GLY N 32 -0.400000 14.0067 0 + 1536 A4 172 GLY H 1 0.250000 1.0080 0 + 1537 A4 172 GLY CA 12 0.100000 14.0270 0 + 1538 A4 172 GLY C 14 0.600000 12.0110 0 + 1539 A4 172 GLY O 40 -0.550000 15.9994 0 + 1540 A4 173 SER N 32 -0.400000 14.0067 0 + 1541 A4 173 SER H 1 0.250000 1.0080 0 + 1542 A4 173 SER CA 11 0.100000 13.0190 0 + 1543 A4 173 SER CB 12 0.250000 14.0270 0 + 1544 A4 173 SER OG 45 -0.650000 15.9994 0 + 1545 A4 173 SER HG 8 0.400000 1.0080 0 + 1546 A4 173 SER C 14 0.600000 12.0110 0 + 1547 A4 173 SER O 40 -0.550000 15.9994 0 + 1548 A4 174 MET N 32 -0.400000 14.0067 0 + 1549 A4 174 MET H 1 0.250000 1.0080 0 + 1550 A4 174 MET CA 11 0.100000 13.0190 0 + 1551 A4 174 MET CB 12 0.000000 14.0270 0 + 1552 A4 174 MET CG 12 0.060000 14.0270 0 + 1553 A4 174 MET SD 74 -0.120000 32.0600 0 + 1554 A4 174 MET CE 13 0.060000 15.0350 0 + 1555 A4 174 MET C 14 0.600000 12.0110 0 + 1556 A4 174 MET O 40 -0.550000 15.9994 0 + 1557 A4 175 ILE N 32 -0.400000 14.0067 0 + 1558 A4 175 ILE H 1 0.250000 1.0080 0 + 1559 A4 175 ILE CA 11 0.100000 13.0190 0 + 1560 A4 175 ILE CB 11 0.000000 13.0190 0 + 1561 A4 175 ILE CG2 13 0.000000 15.0350 0 + 1562 A4 175 ILE CG1 12 0.000000 14.0270 0 + 1563 A4 175 ILE CD1 13 0.000000 15.0350 0 + 1564 A4 175 ILE C 14 0.600000 12.0110 0 + 1565 A4 175 ILE O 40 -0.550000 15.9994 0 + 1566 A4 176 ILE N 32 -0.400000 14.0067 0 + 1567 A4 176 ILE H 1 0.250000 1.0080 0 + 1568 A4 176 ILE CA 11 0.100000 13.0190 0 + 1569 A4 176 ILE CB 11 0.000000 13.0190 0 + 1570 A4 176 ILE CG2 13 0.000000 15.0350 0 + 1571 A4 176 ILE CG1 12 0.000000 14.0270 0 + 1572 A4 176 ILE CD1 13 0.000000 15.0350 0 + 1573 A4 176 ILE C 14 0.600000 12.0110 0 + 1574 A4 176 ILE O 40 -0.550000 15.9994 0 + 1575 A4 177 GLY N 32 -0.400000 14.0067 0 + 1576 A4 177 GLY H 1 0.250000 1.0080 0 + 1577 A4 177 GLY CA 12 0.100000 14.0270 0 + 1578 A4 177 GLY C 14 0.600000 12.0110 0 + 1579 A4 177 GLY O 40 -0.550000 15.9994 0 + 1580 A4 178 GLY N 32 -0.400000 14.0067 0 + 1581 A4 178 GLY H 1 0.250000 1.0080 0 + 1582 A4 178 GLY CA 12 0.100000 14.0270 0 + 1583 A4 178 GLY C 14 0.600000 12.0110 0 + 1584 A4 178 GLY O 40 -0.550000 15.9994 0 + 1585 A4 179 ILE N 32 -0.400000 14.0067 0 + 1586 A4 179 ILE H 1 0.250000 1.0080 0 + 1587 A4 179 ILE CA 11 0.100000 13.0190 0 + 1588 A4 179 ILE CB 11 0.000000 13.0190 0 + 1589 A4 179 ILE CG2 13 0.000000 15.0350 0 + 1590 A4 179 ILE CG1 12 0.000000 14.0270 0 + 1591 A4 179 ILE CD1 13 0.000000 15.0350 0 + 1592 A4 179 ILE C 14 0.600000 12.0110 0 + 1593 A4 179 ILE O 40 -0.550000 15.9994 0 + 1594 A4 180 ASP N 32 -0.400000 14.0067 0 + 1595 A4 180 ASP H 1 0.250000 1.0080 0 + 1596 A4 180 ASP CA 11 0.100000 13.0190 0 + 1597 A4 180 ASP CB 12 0.000000 14.0270 0 + 1598 A4 180 ASP CG 14 0.140000 12.0110 0 + 1599 A4 180 ASP OD1 43 -0.570000 15.9994 0 + 1600 A4 180 ASP OD2 43 -0.570000 15.9994 0 + 1601 A4 180 ASP C 14 0.600000 12.0110 0 + 1602 A4 180 ASP O 40 -0.550000 15.9994 0 + 1603 A4 181 HIS N 32 -0.400000 14.0067 0 + 1604 A4 181 HIS H 1 0.250000 1.0080 0 + 1605 A4 181 HIS CA 11 0.100000 13.0190 0 + 1606 A4 181 HIS CB 12 0.000000 14.0270 0 + 1607 A4 181 HIS CG 21 0.100000 12.0110 0 + 1608 A4 181 HIS ND1 34 -0.400000 14.0067 0 + 1609 A4 181 HIS HD1 1 0.300000 1.0080 0 + 1610 A4 181 HIS CD2 23 0.100000 13.0190 0 + 1611 A4 181 HIS NE2 34 -0.400000 14.0067 0 + 1612 A4 181 HIS CE1 23 0.300000 13.0190 0 + 1613 A4 181 HIS C 14 0.600000 12.0110 0 + 1614 A4 181 HIS O 40 -0.550000 15.9994 0 + 1615 A4 182 SER N 32 -0.400000 14.0067 0 + 1616 A4 182 SER H 1 0.250000 1.0080 0 + 1617 A4 182 SER CA 11 0.100000 13.0190 0 + 1618 A4 182 SER CB 12 0.250000 14.0270 0 + 1619 A4 182 SER OG 45 -0.650000 15.9994 0 + 1620 A4 182 SER HG 8 0.400000 1.0080 0 + 1621 A4 182 SER C 14 0.600000 12.0110 0 + 1622 A4 182 SER O 40 -0.550000 15.9994 0 + 1623 A4 183 LEU N 32 -0.400000 14.0067 0 + 1624 A4 183 LEU H 1 0.250000 1.0080 0 + 1625 A4 183 LEU CA 11 0.100000 13.0190 0 + 1626 A4 183 LEU CB 12 0.000000 14.0270 0 + 1627 A4 183 LEU CG 11 0.000000 13.0190 0 + 1628 A4 183 LEU CD1 13 0.000000 15.0350 0 + 1629 A4 183 LEU CD2 13 0.000000 15.0350 0 + 1630 A4 183 LEU C 14 0.600000 12.0110 0 + 1631 A4 183 LEU O 40 -0.550000 15.9994 0 + 1632 A4 184 TYR N 32 -0.400000 14.0067 0 + 1633 A4 184 TYR H 1 0.250000 1.0080 0 + 1634 A4 184 TYR CA 11 0.100000 13.0190 0 + 1635 A4 184 TYR CB 12 0.000000 14.0270 0 + 1636 A4 184 TYR CG 22 0.000000 12.0110 0 + 1637 A4 184 TYR CD1 24 0.000000 13.0190 0 + 1638 A4 184 TYR CE1 24 0.000000 13.0190 0 + 1639 A4 184 TYR CD2 24 0.000000 13.0190 0 + 1640 A4 184 TYR CE2 24 0.000000 13.0190 0 + 1641 A4 184 TYR CZ 22 0.250000 12.0110 0 + 1642 A4 184 TYR OH 45 -0.650000 15.9994 0 + 1643 A4 184 TYR HH 8 0.400000 1.0080 0 + 1644 A4 184 TYR C 14 0.600000 12.0110 0 + 1645 A4 184 TYR O 40 -0.550000 15.9994 0 + 1646 A4 185 THR N 32 -0.400000 14.0067 0 + 1647 A4 185 THR H 1 0.250000 1.0080 0 + 1648 A4 185 THR CA 11 0.100000 13.0190 0 + 1649 A4 185 THR CB 11 0.250000 13.0190 0 + 1650 A4 185 THR OG1 45 -0.650000 15.9994 0 + 1651 A4 185 THR HG1 8 0.400000 1.0080 0 + 1652 A4 185 THR CG2 13 0.000000 15.0350 0 + 1653 A4 185 THR C 14 0.600000 12.0110 0 + 1654 A4 185 THR O 40 -0.550000 15.9994 0 + 1655 A4 186 GLY N 32 -0.400000 14.0067 0 + 1656 A4 186 GLY H 1 0.250000 1.0080 0 + 1657 A4 186 GLY CA 12 0.100000 14.0270 0 + 1658 A4 186 GLY C 14 0.600000 12.0110 0 + 1659 A4 186 GLY O 40 -0.550000 15.9994 0 + 1660 A4 187 SER N 32 -0.400000 14.0067 0 + 1661 A4 187 SER H 1 0.250000 1.0080 0 + 1662 A4 187 SER CA 11 0.100000 13.0190 0 + 1663 A4 187 SER CB 12 0.250000 14.0270 0 + 1664 A4 187 SER OG 45 -0.650000 15.9994 0 + 1665 A4 187 SER HG 8 0.400000 1.0080 0 + 1666 A4 187 SER C 14 0.600000 12.0110 0 + 1667 A4 187 SER O 40 -0.550000 15.9994 0 + 1668 A4 188 LEU N 32 -0.400000 14.0067 0 + 1669 A4 188 LEU H 1 0.250000 1.0080 0 + 1670 A4 188 LEU CA 11 0.100000 13.0190 0 + 1671 A4 188 LEU CB 12 0.000000 14.0270 0 + 1672 A4 188 LEU CG 11 0.000000 13.0190 0 + 1673 A4 188 LEU CD1 13 0.000000 15.0350 0 + 1674 A4 188 LEU CD2 13 0.000000 15.0350 0 + 1675 A4 188 LEU C 14 0.600000 12.0110 0 + 1676 A4 188 LEU O 40 -0.550000 15.9994 0 + 1677 A4 189 TRP N 32 -0.400000 14.0067 0 + 1678 A4 189 TRP H 1 0.250000 1.0080 0 + 1679 A4 189 TRP CA 11 0.100000 13.0190 0 + 1680 A4 189 TRP CB 12 0.000000 14.0270 0 + 1681 A4 189 TRP CG 21 -0.030000 12.0110 0 + 1682 A4 189 TRP CD2 26 0.100000 12.0110 0 + 1683 A4 189 TRP CE2 26 -0.040000 12.0110 0 + 1684 A4 189 TRP CE3 24 -0.030000 13.0190 0 + 1685 A4 189 TRP CD1 23 0.060000 13.0190 0 + 1686 A4 189 TRP NE1 34 -0.360000 14.0067 0 + 1687 A4 189 TRP HE1 1 0.300000 1.0080 0 + 1688 A4 189 TRP CZ2 24 0.000000 13.0190 0 + 1689 A4 189 TRP CZ3 24 0.000000 13.0190 0 + 1690 A4 189 TRP CH2 24 0.000000 13.0190 0 + 1691 A4 189 TRP C 14 0.600000 12.0110 0 + 1692 A4 189 TRP O 40 -0.550000 15.9994 0 + 1693 A4 190 TYR N 32 -0.400000 14.0067 0 + 1694 A4 190 TYR H 1 0.250000 1.0080 0 + 1695 A4 190 TYR CA 11 0.100000 13.0190 0 + 1696 A4 190 TYR CB 12 0.000000 14.0270 0 + 1697 A4 190 TYR CG 22 0.000000 12.0110 0 + 1698 A4 190 TYR CD1 24 0.000000 13.0190 0 + 1699 A4 190 TYR CE1 24 0.000000 13.0190 0 + 1700 A4 190 TYR CD2 24 0.000000 13.0190 0 + 1701 A4 190 TYR CE2 24 0.000000 13.0190 0 + 1702 A4 190 TYR CZ 22 0.250000 12.0110 0 + 1703 A4 190 TYR OH 45 -0.650000 15.9994 0 + 1704 A4 190 TYR HH 8 0.400000 1.0080 0 + 1705 A4 190 TYR C 14 0.600000 12.0110 0 + 1706 A4 190 TYR O 40 -0.550000 15.9994 0 + 1707 A4 191 THR N 32 -0.400000 14.0067 0 + 1708 A4 191 THR H 1 0.250000 1.0080 0 + 1709 A4 191 THR CA 11 0.100000 13.0190 0 + 1710 A4 191 THR CB 11 0.250000 13.0190 0 + 1711 A4 191 THR OG1 45 -0.650000 15.9994 0 + 1712 A4 191 THR HG1 8 0.400000 1.0080 0 + 1713 A4 191 THR CG2 13 0.000000 15.0350 0 + 1714 A4 191 THR C 14 0.600000 12.0110 0 + 1715 A4 191 THR O 40 -0.550000 15.9994 0 + 1716 A4 192 PRO N 33 -0.250000 14.0067 0 + 1717 A4 192 PRO CD 12 0.100000 14.0270 0 + 1718 A4 192 PRO CA 11 0.100000 13.0190 0 + 1719 A4 192 PRO CB 12 0.000000 14.0270 0 + 1720 A4 192 PRO CG 12 0.000000 14.0270 0 + 1721 A4 192 PRO C 14 0.600000 12.0110 0 + 1722 A4 192 PRO O 40 -0.550000 15.9994 0 + 1723 A4 193 ILE N 32 -0.400000 14.0067 0 + 1724 A4 193 ILE H 1 0.250000 1.0080 0 + 1725 A4 193 ILE CA 11 0.100000 13.0190 0 + 1726 A4 193 ILE CB 11 0.000000 13.0190 0 + 1727 A4 193 ILE CG2 13 0.000000 15.0350 0 + 1728 A4 193 ILE CG1 12 0.000000 14.0270 0 + 1729 A4 193 ILE CD1 13 0.000000 15.0350 0 + 1730 A4 193 ILE C 14 0.600000 12.0110 0 + 1731 A4 193 ILE O 40 -0.550000 15.9994 0 + 1732 A4 194 ARG N 32 -0.400000 14.0067 0 + 1733 A4 194 ARG H 1 0.250000 1.0080 0 + 1734 A4 194 ARG CA 11 0.100000 13.0190 0 + 1735 A4 194 ARG CB 12 0.000000 14.0270 0 + 1736 A4 194 ARG CG 12 0.000000 14.0270 0 + 1737 A4 194 ARG CD 12 0.100000 14.0270 0 + 1738 A4 194 ARG NE 32 -0.400000 14.0067 0 + 1739 A4 194 ARG HE 1 0.300000 1.0080 0 + 1740 A4 194 ARG CZ 14 0.500000 12.0110 0 + 1741 A4 194 ARG NH1 37 -0.450000 14.0067 0 + 1742 A4 194 ARG HH11 2 0.350000 1.0080 0 + 1743 A4 194 ARG HH12 2 0.350000 1.0080 0 + 1744 A4 194 ARG NH2 37 -0.450000 14.0067 0 + 1745 A4 194 ARG HH21 2 0.350000 1.0080 0 + 1746 A4 194 ARG HH22 2 0.350000 1.0080 0 + 1747 A4 194 ARG C 14 0.600000 12.0110 0 + 1748 A4 194 ARG O 40 -0.550000 15.9994 0 + 1749 A4 195 ARG N 32 -0.400000 14.0067 0 + 1750 A4 195 ARG H 1 0.250000 1.0080 0 + 1751 A4 195 ARG CA 11 0.100000 13.0190 0 + 1752 A4 195 ARG CB 12 0.000000 14.0270 0 + 1753 A4 195 ARG CG 12 0.000000 14.0270 0 + 1754 A4 195 ARG CD 12 0.100000 14.0270 0 + 1755 A4 195 ARG NE 32 -0.400000 14.0067 0 + 1756 A4 195 ARG HE 1 0.300000 1.0080 0 + 1757 A4 195 ARG CZ 14 0.500000 12.0110 0 + 1758 A4 195 ARG NH1 37 -0.450000 14.0067 0 + 1759 A4 195 ARG HH11 2 0.350000 1.0080 0 + 1760 A4 195 ARG HH12 2 0.350000 1.0080 0 + 1761 A4 195 ARG NH2 37 -0.450000 14.0067 0 + 1762 A4 195 ARG HH21 2 0.350000 1.0080 0 + 1763 A4 195 ARG HH22 2 0.350000 1.0080 0 + 1764 A4 195 ARG C 14 0.600000 12.0110 0 + 1765 A4 195 ARG O 40 -0.550000 15.9994 0 + 1766 A4 196 GLU N 32 -0.400000 14.0067 0 + 1767 A4 196 GLU H 1 0.250000 1.0080 0 + 1768 A4 196 GLU CA 11 0.100000 13.0190 0 + 1769 A4 196 GLU CB 12 0.000000 14.0270 0 + 1770 A4 196 GLU CG 12 0.000000 14.0270 0 + 1771 A4 196 GLU CD 14 0.140000 12.0110 0 + 1772 A4 196 GLU OE1 43 -0.570000 15.9994 0 + 1773 A4 196 GLU OE2 43 -0.570000 15.9994 0 + 1774 A4 196 GLU C 14 0.600000 12.0110 0 + 1775 A4 196 GLU O 40 -0.550000 15.9994 0 + 1776 A4 197 TRP N 32 -0.400000 14.0067 0 + 1777 A4 197 TRP H 1 0.250000 1.0080 0 + 1778 A4 197 TRP CA 11 0.100000 13.0190 0 + 1779 A4 197 TRP CB 12 0.000000 14.0270 0 + 1780 A4 197 TRP CG 21 -0.030000 12.0110 0 + 1781 A4 197 TRP CD2 26 0.100000 12.0110 0 + 1782 A4 197 TRP CE2 26 -0.040000 12.0110 0 + 1783 A4 197 TRP CE3 24 -0.030000 13.0190 0 + 1784 A4 197 TRP CD1 23 0.060000 13.0190 0 + 1785 A4 197 TRP NE1 34 -0.360000 14.0067 0 + 1786 A4 197 TRP HE1 1 0.300000 1.0080 0 + 1787 A4 197 TRP CZ2 24 0.000000 13.0190 0 + 1788 A4 197 TRP CZ3 24 0.000000 13.0190 0 + 1789 A4 197 TRP CH2 24 0.000000 13.0190 0 + 1790 A4 197 TRP C 14 0.600000 12.0110 0 + 1791 A4 197 TRP O 40 -0.550000 15.9994 0 + 1792 A4 198 TYR N 32 -0.400000 14.0067 0 + 1793 A4 198 TYR H 1 0.250000 1.0080 0 + 1794 A4 198 TYR CA 11 0.100000 13.0190 0 + 1795 A4 198 TYR CB 12 0.000000 14.0270 0 + 1796 A4 198 TYR CG 22 0.000000 12.0110 0 + 1797 A4 198 TYR CD1 24 0.000000 13.0190 0 + 1798 A4 198 TYR CE1 24 0.000000 13.0190 0 + 1799 A4 198 TYR CD2 24 0.000000 13.0190 0 + 1800 A4 198 TYR CE2 24 0.000000 13.0190 0 + 1801 A4 198 TYR CZ 22 0.250000 12.0110 0 + 1802 A4 198 TYR OH 45 -0.650000 15.9994 0 + 1803 A4 198 TYR HH 8 0.400000 1.0080 0 + 1804 A4 198 TYR C 14 0.600000 12.0110 0 + 1805 A4 198 TYR O 40 -0.550000 15.9994 0 + 1806 A4 199 TYR N 32 -0.400000 14.0067 0 + 1807 A4 199 TYR H 1 0.250000 1.0080 0 + 1808 A4 199 TYR CA 11 0.100000 13.0190 0 + 1809 A4 199 TYR CB 12 0.000000 14.0270 0 + 1810 A4 199 TYR CG 22 0.000000 12.0110 0 + 1811 A4 199 TYR CD1 24 0.000000 13.0190 0 + 1812 A4 199 TYR CE1 24 0.000000 13.0190 0 + 1813 A4 199 TYR CD2 24 0.000000 13.0190 0 + 1814 A4 199 TYR CE2 24 0.000000 13.0190 0 + 1815 A4 199 TYR CZ 22 0.250000 12.0110 0 + 1816 A4 199 TYR OH 45 -0.650000 15.9994 0 + 1817 A4 199 TYR HH 8 0.400000 1.0080 0 + 1818 A4 199 TYR C 14 0.600000 12.0110 0 + 1819 A4 199 TYR O 40 -0.550000 15.9994 0 + 1820 A4 200 GLU N 32 -0.400000 14.0067 0 + 1821 A4 200 GLU H 1 0.250000 1.0080 0 + 1822 A4 200 GLU CA 11 0.100000 13.0190 0 + 1823 A4 200 GLU CB 12 0.000000 14.0270 0 + 1824 A4 200 GLU CG 12 0.000000 14.0270 0 + 1825 A4 200 GLU CD 14 0.140000 12.0110 0 + 1826 A4 200 GLU OE1 43 -0.570000 15.9994 0 + 1827 A4 200 GLU OE2 43 -0.570000 15.9994 0 + 1828 A4 200 GLU C 14 0.600000 12.0110 0 + 1829 A4 200 GLU O 40 -0.550000 15.9994 0 + 1830 A4 201 VAL N 32 -0.400000 14.0067 0 + 1831 A4 201 VAL H 1 0.250000 1.0080 0 + 1832 A4 201 VAL CA 11 0.100000 13.0190 0 + 1833 A4 201 VAL CB 11 0.000000 13.0190 0 + 1834 A4 201 VAL CG1 13 0.000000 15.0350 0 + 1835 A4 201 VAL CG2 13 0.000000 15.0350 0 + 1836 A4 201 VAL C 14 0.600000 12.0110 0 + 1837 A4 201 VAL O 40 -0.550000 15.9994 0 + 1838 A4 202 ILE N 32 -0.400000 14.0067 0 + 1839 A4 202 ILE H 1 0.250000 1.0080 0 + 1840 A4 202 ILE CA 11 0.100000 13.0190 0 + 1841 A4 202 ILE CB 11 0.000000 13.0190 0 + 1842 A4 202 ILE CG2 13 0.000000 15.0350 0 + 1843 A4 202 ILE CG1 12 0.000000 14.0270 0 + 1844 A4 202 ILE CD1 13 0.000000 15.0350 0 + 1845 A4 202 ILE C 14 0.600000 12.0110 0 + 1846 A4 202 ILE O 40 -0.550000 15.9994 0 + 1847 A4 203 ILE N 32 -0.400000 14.0067 0 + 1848 A4 203 ILE H 1 0.250000 1.0080 0 + 1849 A4 203 ILE CA 11 0.100000 13.0190 0 + 1850 A4 203 ILE CB 11 0.000000 13.0190 0 + 1851 A4 203 ILE CG2 13 0.000000 15.0350 0 + 1852 A4 203 ILE CG1 12 0.000000 14.0270 0 + 1853 A4 203 ILE CD1 13 0.000000 15.0350 0 + 1854 A4 203 ILE C 14 0.600000 12.0110 0 + 1855 A4 203 ILE O 40 -0.550000 15.9994 0 + 1856 A4 204 VAL N 32 -0.400000 14.0067 0 + 1857 A4 204 VAL H 1 0.250000 1.0080 0 + 1858 A4 204 VAL CA 11 0.100000 13.0190 0 + 1859 A4 204 VAL CB 11 0.000000 13.0190 0 + 1860 A4 204 VAL CG1 13 0.000000 15.0350 0 + 1861 A4 204 VAL CG2 13 0.000000 15.0350 0 + 1862 A4 204 VAL C 14 0.600000 12.0110 0 + 1863 A4 204 VAL O 40 -0.550000 15.9994 0 + 1864 A4 205 ARG N 32 -0.400000 14.0067 0 + 1865 A4 205 ARG H 1 0.250000 1.0080 0 + 1866 A4 205 ARG CA 11 0.100000 13.0190 0 + 1867 A4 205 ARG CB 12 0.000000 14.0270 0 + 1868 A4 205 ARG CG 12 0.000000 14.0270 0 + 1869 A4 205 ARG CD 12 0.100000 14.0270 0 + 1870 A4 205 ARG NE 32 -0.400000 14.0067 0 + 1871 A4 205 ARG HE 1 0.300000 1.0080 0 + 1872 A4 205 ARG CZ 14 0.500000 12.0110 0 + 1873 A4 205 ARG NH1 37 -0.450000 14.0067 0 + 1874 A4 205 ARG HH11 2 0.350000 1.0080 0 + 1875 A4 205 ARG HH12 2 0.350000 1.0080 0 + 1876 A4 205 ARG NH2 37 -0.450000 14.0067 0 + 1877 A4 205 ARG HH21 2 0.350000 1.0080 0 + 1878 A4 205 ARG HH22 2 0.350000 1.0080 0 + 1879 A4 205 ARG C 14 0.600000 12.0110 0 + 1880 A4 205 ARG O 40 -0.550000 15.9994 0 + 1881 A4 206 VAL N 32 -0.400000 14.0067 0 + 1882 A4 206 VAL H 1 0.250000 1.0080 0 + 1883 A4 206 VAL CA 11 0.100000 13.0190 0 + 1884 A4 206 VAL CB 11 0.000000 13.0190 0 + 1885 A4 206 VAL CG1 13 0.000000 15.0350 0 + 1886 A4 206 VAL CG2 13 0.000000 15.0350 0 + 1887 A4 206 VAL C 14 0.600000 12.0110 0 + 1888 A4 206 VAL O 40 -0.550000 15.9994 0 + 1889 A4 207 GLU N 32 -0.400000 14.0067 0 + 1890 A4 207 GLU H 1 0.250000 1.0080 0 + 1891 A4 207 GLU CA 11 0.100000 13.0190 0 + 1892 A4 207 GLU CB 12 0.000000 14.0270 0 + 1893 A4 207 GLU CG 12 0.000000 14.0270 0 + 1894 A4 207 GLU CD 14 0.140000 12.0110 0 + 1895 A4 207 GLU OE1 43 -0.570000 15.9994 0 + 1896 A4 207 GLU OE2 43 -0.570000 15.9994 0 + 1897 A4 207 GLU C 14 0.600000 12.0110 0 + 1898 A4 207 GLU O 40 -0.550000 15.9994 0 + 1899 A4 208 ILE N 32 -0.400000 14.0067 0 + 1900 A4 208 ILE H 1 0.250000 1.0080 0 + 1901 A4 208 ILE CA 11 0.100000 13.0190 0 + 1902 A4 208 ILE CB 11 0.000000 13.0190 0 + 1903 A4 208 ILE CG2 13 0.000000 15.0350 0 + 1904 A4 208 ILE CG1 12 0.000000 14.0270 0 + 1905 A4 208 ILE CD1 13 0.000000 15.0350 0 + 1906 A4 208 ILE C 14 0.600000 12.0110 0 + 1907 A4 208 ILE O 40 -0.550000 15.9994 0 + 1908 A4 209 ASN N 32 -0.400000 14.0067 0 + 1909 A4 209 ASN H 1 0.250000 1.0080 0 + 1910 A4 209 ASN CA 11 0.100000 13.0190 0 + 1911 A4 209 ASN CB 12 0.000000 14.0270 0 + 1912 A4 209 ASN CG 14 0.550000 12.0110 0 + 1913 A4 209 ASN OD1 40 -0.550000 15.9994 0 + 1914 A4 209 ASN ND2 32 -0.600000 14.0067 0 + 1915 A4 209 ASN HD21 1 0.300000 1.0080 0 + 1916 A4 209 ASN HD22 1 0.300000 1.0080 0 + 1917 A4 209 ASN C 14 0.600000 12.0110 0 + 1918 A4 209 ASN O 40 -0.550000 15.9994 0 + 1919 A4 210 GLY N 32 -0.400000 14.0067 0 + 1920 A4 210 GLY H 1 0.250000 1.0080 0 + 1921 A4 210 GLY CA 12 0.100000 14.0270 0 + 1922 A4 210 GLY C 14 0.600000 12.0110 0 + 1923 A4 210 GLY O 40 -0.550000 15.9994 0 + 1924 A4 211 GLN N 32 -0.400000 14.0067 0 + 1925 A4 211 GLN H 1 0.250000 1.0080 0 + 1926 A4 211 GLN CA 11 0.100000 13.0190 0 + 1927 A4 211 GLN CB 12 0.000000 14.0270 0 + 1928 A4 211 GLN CG 12 0.000000 14.0270 0 + 1929 A4 211 GLN CD 14 0.550000 12.0110 0 + 1930 A4 211 GLN OE1 40 -0.550000 15.9994 0 + 1931 A4 211 GLN NE2 32 -0.600000 14.0067 0 + 1932 A4 211 GLN HE21 1 0.300000 1.0080 0 + 1933 A4 211 GLN HE22 1 0.300000 1.0080 0 + 1934 A4 211 GLN C 14 0.600000 12.0110 0 + 1935 A4 211 GLN O 40 -0.550000 15.9994 0 + 1936 A4 212 ASP N 32 -0.400000 14.0067 0 + 1937 A4 212 ASP H 1 0.250000 1.0080 0 + 1938 A4 212 ASP CA 11 0.100000 13.0190 0 + 1939 A4 212 ASP CB 12 0.000000 14.0270 0 + 1940 A4 212 ASP CG 14 0.140000 12.0110 0 + 1941 A4 212 ASP OD1 43 -0.570000 15.9994 0 + 1942 A4 212 ASP OD2 43 -0.570000 15.9994 0 + 1943 A4 212 ASP C 14 0.600000 12.0110 0 + 1944 A4 212 ASP O 40 -0.550000 15.9994 0 + 1945 A4 213 LEU N 32 -0.400000 14.0067 0 + 1946 A4 213 LEU H 1 0.250000 1.0080 0 + 1947 A4 213 LEU CA 11 0.100000 13.0190 0 + 1948 A4 213 LEU CB 12 0.000000 14.0270 0 + 1949 A4 213 LEU CG 11 0.000000 13.0190 0 + 1950 A4 213 LEU CD1 13 0.000000 15.0350 0 + 1951 A4 213 LEU CD2 13 0.000000 15.0350 0 + 1952 A4 213 LEU C 14 0.600000 12.0110 0 + 1953 A4 213 LEU O 40 -0.550000 15.9994 0 + 1954 A4 214 LYS N 32 -0.400000 14.0067 0 + 1955 A4 214 LYS H 1 0.250000 1.0080 0 + 1956 A4 214 LYS CA 11 0.100000 13.0190 0 + 1957 A4 214 LYS CB 12 0.000000 14.0270 0 + 1958 A4 214 LYS CG 12 0.000000 14.0270 0 + 1959 A4 214 LYS CD 12 0.000000 14.0270 0 + 1960 A4 214 LYS CE 12 0.250000 14.0270 0 + 1961 A4 214 LYS NZ 36 -0.300000 14.0067 0 + 1962 A4 214 LYS HZ1 2 0.350000 1.0080 0 + 1963 A4 214 LYS HZ2 2 0.350000 1.0080 0 + 1964 A4 214 LYS HZ3 2 0.350000 1.0080 0 + 1965 A4 214 LYS C 14 0.600000 12.0110 0 + 1966 A4 214 LYS O 40 -0.550000 15.9994 0 + 1967 A4 215 MET N 32 -0.400000 14.0067 0 + 1968 A4 215 MET H 1 0.250000 1.0080 0 + 1969 A4 215 MET CA 11 0.100000 13.0190 0 + 1970 A4 215 MET CB 12 0.000000 14.0270 0 + 1971 A4 215 MET CG 12 0.060000 14.0270 0 + 1972 A4 215 MET SD 74 -0.120000 32.0600 0 + 1973 A4 215 MET CE 13 0.060000 15.0350 0 + 1974 A4 215 MET C 14 0.600000 12.0110 0 + 1975 A4 215 MET O 40 -0.550000 15.9994 0 + 1976 A4 216 ASP N 32 -0.400000 14.0067 0 + 1977 A4 216 ASP H 1 0.250000 1.0080 0 + 1978 A4 216 ASP CA 11 0.100000 13.0190 0 + 1979 A4 216 ASP CB 12 0.000000 14.0270 0 + 1980 A4 216 ASP CG 14 0.140000 12.0110 0 + 1981 A4 216 ASP OD1 43 -0.570000 15.9994 0 + 1982 A4 216 ASP OD2 43 -0.570000 15.9994 0 + 1983 A4 216 ASP C 14 0.600000 12.0110 0 + 1984 A4 216 ASP O 40 -0.550000 15.9994 0 + 1985 A4 217 CYS N 32 -0.400000 14.0067 0 + 1986 A4 217 CYS H 1 0.250000 1.0080 0 + 1987 A4 217 CYS CA 11 0.100000 13.0190 0 + 1988 A4 217 CYS CB 12 0.190000 14.0270 0 + 1989 A4 217 CYS SG 70 -0.190000 32.0600 0 + 1990 A4 217 CYS C 14 0.600000 12.0110 0 + 1991 A4 217 CYS O 40 -0.550000 15.9994 0 + 1992 A4 218 LYS N 32 -0.400000 14.0067 0 + 1993 A4 218 LYS H 1 0.250000 1.0080 0 + 1994 A4 218 LYS CA 11 0.100000 13.0190 0 + 1995 A4 218 LYS CB 12 0.000000 14.0270 0 + 1996 A4 218 LYS CG 12 0.000000 14.0270 0 + 1997 A4 218 LYS CD 12 0.000000 14.0270 0 + 1998 A4 218 LYS CE 12 0.250000 14.0270 0 + 1999 A4 218 LYS NZ 36 -0.300000 14.0067 0 + 2000 A4 218 LYS HZ1 2 0.350000 1.0080 0 + 2001 A4 218 LYS HZ2 2 0.350000 1.0080 0 + 2002 A4 218 LYS HZ3 2 0.350000 1.0080 0 + 2003 A4 218 LYS C 14 0.600000 12.0110 0 + 2004 A4 218 LYS O 40 -0.550000 15.9994 0 + 2005 A4 219 GLU N 32 -0.400000 14.0067 0 + 2006 A4 219 GLU H 1 0.250000 1.0080 0 + 2007 A4 219 GLU CA 11 0.100000 13.0190 0 + 2008 A4 219 GLU CB 12 0.000000 14.0270 0 + 2009 A4 219 GLU CG 12 0.000000 14.0270 0 + 2010 A4 219 GLU CD 14 0.140000 12.0110 0 + 2011 A4 219 GLU OE1 43 -0.570000 15.9994 0 + 2012 A4 219 GLU OE2 43 -0.570000 15.9994 0 + 2013 A4 219 GLU C 14 0.600000 12.0110 0 + 2014 A4 219 GLU O 40 -0.550000 15.9994 0 + 2015 A4 220 TYR N 32 -0.400000 14.0067 0 + 2016 A4 220 TYR H 1 0.250000 1.0080 0 + 2017 A4 220 TYR CA 11 0.100000 13.0190 0 + 2018 A4 220 TYR CB 12 0.000000 14.0270 0 + 2019 A4 220 TYR CG 22 0.000000 12.0110 0 + 2020 A4 220 TYR CD1 24 0.000000 13.0190 0 + 2021 A4 220 TYR CE1 24 0.000000 13.0190 0 + 2022 A4 220 TYR CD2 24 0.000000 13.0190 0 + 2023 A4 220 TYR CE2 24 0.000000 13.0190 0 + 2024 A4 220 TYR CZ 22 0.250000 12.0110 0 + 2025 A4 220 TYR OH 45 -0.650000 15.9994 0 + 2026 A4 220 TYR HH 8 0.400000 1.0080 0 + 2027 A4 220 TYR C 14 0.600000 12.0110 0 + 2028 A4 220 TYR O 40 -0.550000 15.9994 0 + 2029 A4 221 ASN N 32 -0.400000 14.0067 0 + 2030 A4 221 ASN H 1 0.250000 1.0080 0 + 2031 A4 221 ASN CA 11 0.100000 13.0190 0 + 2032 A4 221 ASN CB 12 0.000000 14.0270 0 + 2033 A4 221 ASN CG 14 0.550000 12.0110 0 + 2034 A4 221 ASN OD1 40 -0.550000 15.9994 0 + 2035 A4 221 ASN ND2 32 -0.600000 14.0067 0 + 2036 A4 221 ASN HD21 1 0.300000 1.0080 0 + 2037 A4 221 ASN HD22 1 0.300000 1.0080 0 + 2038 A4 221 ASN C 14 0.600000 12.0110 0 + 2039 A4 221 ASN O 40 -0.550000 15.9994 0 + 2040 A4 222 TYR N 32 -0.400000 14.0067 0 + 2041 A4 222 TYR H 1 0.250000 1.0080 0 + 2042 A4 222 TYR CA 11 0.100000 13.0190 0 + 2043 A4 222 TYR CB 12 0.000000 14.0270 0 + 2044 A4 222 TYR CG 22 0.000000 12.0110 0 + 2045 A4 222 TYR CD1 24 0.000000 13.0190 0 + 2046 A4 222 TYR CE1 24 0.000000 13.0190 0 + 2047 A4 222 TYR CD2 24 0.000000 13.0190 0 + 2048 A4 222 TYR CE2 24 0.000000 13.0190 0 + 2049 A4 222 TYR CZ 22 0.250000 12.0110 0 + 2050 A4 222 TYR OH 45 -0.650000 15.9994 0 + 2051 A4 222 TYR HH 8 0.400000 1.0080 0 + 2052 A4 222 TYR C 14 0.600000 12.0110 0 + 2053 A4 222 TYR O 40 -0.550000 15.9994 0 + 2054 A4 223 ASP N 32 -0.400000 14.0067 0 + 2055 A4 223 ASP H 1 0.250000 1.0080 0 + 2056 A4 223 ASP CA 11 0.100000 13.0190 0 + 2057 A4 223 ASP CB 12 0.000000 14.0270 0 + 2058 A4 223 ASP CG 14 0.140000 12.0110 0 + 2059 A4 223 ASP OD1 43 -0.570000 15.9994 0 + 2060 A4 223 ASP OD2 43 -0.570000 15.9994 0 + 2061 A4 223 ASP C 14 0.600000 12.0110 0 + 2062 A4 223 ASP O 40 -0.550000 15.9994 0 + 2063 A4 224 LYS N 32 -0.400000 14.0067 0 + 2064 A4 224 LYS H 1 0.250000 1.0080 0 + 2065 A4 224 LYS CA 11 0.100000 13.0190 0 + 2066 A4 224 LYS CB 12 0.000000 14.0270 0 + 2067 A4 224 LYS CG 12 0.000000 14.0270 0 + 2068 A4 224 LYS CD 12 0.000000 14.0270 0 + 2069 A4 224 LYS CE 12 0.250000 14.0270 0 + 2070 A4 224 LYS NZ 36 -0.300000 14.0067 0 + 2071 A4 224 LYS HZ1 2 0.350000 1.0080 0 + 2072 A4 224 LYS HZ2 2 0.350000 1.0080 0 + 2073 A4 224 LYS HZ3 2 0.350000 1.0080 0 + 2074 A4 224 LYS C 14 0.600000 12.0110 0 + 2075 A4 224 LYS O 40 -0.550000 15.9994 0 + 2076 A4 225 SER N 32 -0.400000 14.0067 0 + 2077 A4 225 SER H 1 0.250000 1.0080 0 + 2078 A4 225 SER CA 11 0.100000 13.0190 0 + 2079 A4 225 SER CB 12 0.250000 14.0270 0 + 2080 A4 225 SER OG 45 -0.650000 15.9994 0 + 2081 A4 225 SER HG 8 0.400000 1.0080 0 + 2082 A4 225 SER C 14 0.600000 12.0110 0 + 2083 A4 225 SER O 40 -0.550000 15.9994 0 + 2084 A4 226 ILE N 32 -0.400000 14.0067 0 + 2085 A4 226 ILE H 1 0.250000 1.0080 0 + 2086 A4 226 ILE CA 11 0.100000 13.0190 0 + 2087 A4 226 ILE CB 11 0.000000 13.0190 0 + 2088 A4 226 ILE CG2 13 0.000000 15.0350 0 + 2089 A4 226 ILE CG1 12 0.000000 14.0270 0 + 2090 A4 226 ILE CD1 13 0.000000 15.0350 0 + 2091 A4 226 ILE C 14 0.600000 12.0110 0 + 2092 A4 226 ILE O 40 -0.550000 15.9994 0 + 2093 A4 227 VAL N 32 -0.400000 14.0067 0 + 2094 A4 227 VAL H 1 0.250000 1.0080 0 + 2095 A4 227 VAL CA 11 0.100000 13.0190 0 + 2096 A4 227 VAL CB 11 0.000000 13.0190 0 + 2097 A4 227 VAL CG1 13 0.000000 15.0350 0 + 2098 A4 227 VAL CG2 13 0.000000 15.0350 0 + 2099 A4 227 VAL C 14 0.600000 12.0110 0 + 2100 A4 227 VAL O 40 -0.550000 15.9994 0 + 2101 A4 228 ASP N 32 -0.400000 14.0067 0 + 2102 A4 228 ASP H 1 0.250000 1.0080 0 + 2103 A4 228 ASP CA 11 0.100000 13.0190 0 + 2104 A4 228 ASP CB 12 0.000000 14.0270 0 + 2105 A4 228 ASP CG 14 0.140000 12.0110 0 + 2106 A4 228 ASP OD1 43 -0.570000 15.9994 0 + 2107 A4 228 ASP OD2 43 -0.570000 15.9994 0 + 2108 A4 228 ASP C 14 0.600000 12.0110 0 + 2109 A4 228 ASP O 40 -0.550000 15.9994 0 + 2110 A4 229 SER N 32 -0.400000 14.0067 0 + 2111 A4 229 SER H 1 0.250000 1.0080 0 + 2112 A4 229 SER CA 11 0.100000 13.0190 0 + 2113 A4 229 SER CB 12 0.250000 14.0270 0 + 2114 A4 229 SER OG 45 -0.650000 15.9994 0 + 2115 A4 229 SER HG 8 0.400000 1.0080 0 + 2116 A4 229 SER C 14 0.600000 12.0110 0 + 2117 A4 229 SER O 40 -0.550000 15.9994 0 + 2118 A4 230 GLY N 32 -0.400000 14.0067 0 + 2119 A4 230 GLY H 1 0.250000 1.0080 0 + 2120 A4 230 GLY CA 12 0.100000 14.0270 0 + 2121 A4 230 GLY C 14 0.600000 12.0110 0 + 2122 A4 230 GLY O 40 -0.550000 15.9994 0 + 2123 A4 231 THR N 32 -0.400000 14.0067 0 + 2124 A4 231 THR H 1 0.250000 1.0080 0 + 2125 A4 231 THR CA 11 0.100000 13.0190 0 + 2126 A4 231 THR CB 11 0.250000 13.0190 0 + 2127 A4 231 THR OG1 45 -0.650000 15.9994 0 + 2128 A4 231 THR HG1 8 0.400000 1.0080 0 + 2129 A4 231 THR CG2 13 0.000000 15.0350 0 + 2130 A4 231 THR C 14 0.600000 12.0110 0 + 2131 A4 231 THR O 40 -0.550000 15.9994 0 + 2132 A4 232 THR N 32 -0.400000 14.0067 0 + 2133 A4 232 THR H 1 0.250000 1.0080 0 + 2134 A4 232 THR CA 11 0.100000 13.0190 0 + 2135 A4 232 THR CB 11 0.250000 13.0190 0 + 2136 A4 232 THR OG1 45 -0.650000 15.9994 0 + 2137 A4 232 THR HG1 8 0.400000 1.0080 0 + 2138 A4 232 THR CG2 13 0.000000 15.0350 0 + 2139 A4 232 THR C 14 0.600000 12.0110 0 + 2140 A4 232 THR O 40 -0.550000 15.9994 0 + 2141 A4 233 ASN N 32 -0.400000 14.0067 0 + 2142 A4 233 ASN H 1 0.250000 1.0080 0 + 2143 A4 233 ASN CA 11 0.100000 13.0190 0 + 2144 A4 233 ASN CB 12 0.000000 14.0270 0 + 2145 A4 233 ASN CG 14 0.550000 12.0110 0 + 2146 A4 233 ASN OD1 40 -0.550000 15.9994 0 + 2147 A4 233 ASN ND2 32 -0.600000 14.0067 0 + 2148 A4 233 ASN HD21 1 0.300000 1.0080 0 + 2149 A4 233 ASN HD22 1 0.300000 1.0080 0 + 2150 A4 233 ASN C 14 0.600000 12.0110 0 + 2151 A4 233 ASN O 40 -0.550000 15.9994 0 + 2152 A4 234 LEU N 32 -0.400000 14.0067 0 + 2153 A4 234 LEU H 1 0.250000 1.0080 0 + 2154 A4 234 LEU CA 11 0.100000 13.0190 0 + 2155 A4 234 LEU CB 12 0.000000 14.0270 0 + 2156 A4 234 LEU CG 11 0.000000 13.0190 0 + 2157 A4 234 LEU CD1 13 0.000000 15.0350 0 + 2158 A4 234 LEU CD2 13 0.000000 15.0350 0 + 2159 A4 234 LEU C 14 0.600000 12.0110 0 + 2160 A4 234 LEU O 40 -0.550000 15.9994 0 + 2161 A4 235 ARG N 32 -0.400000 14.0067 0 + 2162 A4 235 ARG H 1 0.250000 1.0080 0 + 2163 A4 235 ARG CA 11 0.100000 13.0190 0 + 2164 A4 235 ARG CB 12 0.000000 14.0270 0 + 2165 A4 235 ARG CG 12 0.000000 14.0270 0 + 2166 A4 235 ARG CD 12 0.100000 14.0270 0 + 2167 A4 235 ARG NE 32 -0.400000 14.0067 0 + 2168 A4 235 ARG HE 1 0.300000 1.0080 0 + 2169 A4 235 ARG CZ 14 0.500000 12.0110 0 + 2170 A4 235 ARG NH1 37 -0.450000 14.0067 0 + 2171 A4 235 ARG HH11 2 0.350000 1.0080 0 + 2172 A4 235 ARG HH12 2 0.350000 1.0080 0 + 2173 A4 235 ARG NH2 37 -0.450000 14.0067 0 + 2174 A4 235 ARG HH21 2 0.350000 1.0080 0 + 2175 A4 235 ARG HH22 2 0.350000 1.0080 0 + 2176 A4 235 ARG C 14 0.600000 12.0110 0 + 2177 A4 235 ARG O 40 -0.550000 15.9994 0 + 2178 A4 236 LEU N 32 -0.400000 14.0067 0 + 2179 A4 236 LEU H 1 0.250000 1.0080 0 + 2180 A4 236 LEU CA 11 0.100000 13.0190 0 + 2181 A4 236 LEU CB 12 0.000000 14.0270 0 + 2182 A4 236 LEU CG 11 0.000000 13.0190 0 + 2183 A4 236 LEU CD1 13 0.000000 15.0350 0 + 2184 A4 236 LEU CD2 13 0.000000 15.0350 0 + 2185 A4 236 LEU C 14 0.600000 12.0110 0 + 2186 A4 236 LEU O 40 -0.550000 15.9994 0 + 2187 A4 237 PRO N 33 -0.250000 14.0067 0 + 2188 A4 237 PRO CD 12 0.100000 14.0270 0 + 2189 A4 237 PRO CA 11 0.100000 13.0190 0 + 2190 A4 237 PRO CB 12 0.000000 14.0270 0 + 2191 A4 237 PRO CG 12 0.000000 14.0270 0 + 2192 A4 237 PRO C 14 0.600000 12.0110 0 + 2193 A4 237 PRO O 40 -0.550000 15.9994 0 + 2194 A4 238 LYS N 32 -0.400000 14.0067 0 + 2195 A4 238 LYS H 1 0.250000 1.0080 0 + 2196 A4 238 LYS CA 11 0.100000 13.0190 0 + 2197 A4 238 LYS CB 12 0.000000 14.0270 0 + 2198 A4 238 LYS CG 12 0.000000 14.0270 0 + 2199 A4 238 LYS CD 12 0.000000 14.0270 0 + 2200 A4 238 LYS CE 12 0.250000 14.0270 0 + 2201 A4 238 LYS NZ 36 -0.300000 14.0067 0 + 2202 A4 238 LYS HZ1 2 0.350000 1.0080 0 + 2203 A4 238 LYS HZ2 2 0.350000 1.0080 0 + 2204 A4 238 LYS HZ3 2 0.350000 1.0080 0 + 2205 A4 238 LYS C 14 0.600000 12.0110 0 + 2206 A4 238 LYS O 40 -0.550000 15.9994 0 + 2207 A4 239 LYS N 32 -0.400000 14.0067 0 + 2208 A4 239 LYS H 1 0.250000 1.0080 0 + 2209 A4 239 LYS CA 11 0.100000 13.0190 0 + 2210 A4 239 LYS CB 12 0.000000 14.0270 0 + 2211 A4 239 LYS CG 12 0.000000 14.0270 0 + 2212 A4 239 LYS CD 12 0.000000 14.0270 0 + 2213 A4 239 LYS CE 12 0.250000 14.0270 0 + 2214 A4 239 LYS NZ 36 -0.300000 14.0067 0 + 2215 A4 239 LYS HZ1 2 0.350000 1.0080 0 + 2216 A4 239 LYS HZ2 2 0.350000 1.0080 0 + 2217 A4 239 LYS HZ3 2 0.350000 1.0080 0 + 2218 A4 239 LYS C 14 0.600000 12.0110 0 + 2219 A4 239 LYS O 40 -0.550000 15.9994 0 + 2220 A4 240 VAL N 32 -0.400000 14.0067 0 + 2221 A4 240 VAL H 1 0.250000 1.0080 0 + 2222 A4 240 VAL CA 11 0.100000 13.0190 0 + 2223 A4 240 VAL CB 11 0.000000 13.0190 0 + 2224 A4 240 VAL CG1 13 0.000000 15.0350 0 + 2225 A4 240 VAL CG2 13 0.000000 15.0350 0 + 2226 A4 240 VAL C 14 0.600000 12.0110 0 + 2227 A4 240 VAL O 40 -0.550000 15.9994 0 + 2228 A4 241 PHE N 32 -0.400000 14.0067 0 + 2229 A4 241 PHE H 1 0.250000 1.0080 0 + 2230 A4 241 PHE CA 11 0.100000 13.0190 0 + 2231 A4 241 PHE CB 12 0.000000 14.0270 0 + 2232 A4 241 PHE CG 22 0.000000 12.0110 0 + 2233 A4 241 PHE CD1 24 0.000000 13.0190 0 + 2234 A4 241 PHE CD2 24 0.000000 13.0190 0 + 2235 A4 241 PHE CE1 24 0.000000 13.0190 0 + 2236 A4 241 PHE CE2 24 0.000000 13.0190 0 + 2237 A4 241 PHE CZ 24 0.000000 13.0190 0 + 2238 A4 241 PHE C 14 0.600000 12.0110 0 + 2239 A4 241 PHE O 40 -0.550000 15.9994 0 + 2240 A4 242 GLU N 32 -0.400000 14.0067 0 + 2241 A4 242 GLU H 1 0.250000 1.0080 0 + 2242 A4 242 GLU CA 11 0.100000 13.0190 0 + 2243 A4 242 GLU CB 12 0.000000 14.0270 0 + 2244 A4 242 GLU CG 12 0.000000 14.0270 0 + 2245 A4 242 GLU CD 14 0.140000 12.0110 0 + 2246 A4 242 GLU OE1 43 -0.570000 15.9994 0 + 2247 A4 242 GLU OE2 43 -0.570000 15.9994 0 + 2248 A4 242 GLU C 14 0.600000 12.0110 0 + 2249 A4 242 GLU O 40 -0.550000 15.9994 0 + 2250 A4 243 ALA N 32 -0.400000 14.0067 0 + 2251 A4 243 ALA H 1 0.250000 1.0080 0 + 2252 A4 243 ALA CA 11 0.100000 13.0190 0 + 2253 A4 243 ALA CB 13 0.000000 15.0350 0 + 2254 A4 243 ALA C 14 0.600000 12.0110 0 + 2255 A4 243 ALA O 40 -0.550000 15.9994 0 + 2256 A4 244 ALA N 32 -0.400000 14.0067 0 + 2257 A4 244 ALA H 1 0.250000 1.0080 0 + 2258 A4 244 ALA CA 11 0.100000 13.0190 0 + 2259 A4 244 ALA CB 13 0.000000 15.0350 0 + 2260 A4 244 ALA C 14 0.600000 12.0110 0 + 2261 A4 244 ALA O 40 -0.550000 15.9994 0 + 2262 A4 245 VAL N 32 -0.400000 14.0067 0 + 2263 A4 245 VAL H 1 0.250000 1.0080 0 + 2264 A4 245 VAL CA 11 0.100000 13.0190 0 + 2265 A4 245 VAL CB 11 0.000000 13.0190 0 + 2266 A4 245 VAL CG1 13 0.000000 15.0350 0 + 2267 A4 245 VAL CG2 13 0.000000 15.0350 0 + 2268 A4 245 VAL C 14 0.600000 12.0110 0 + 2269 A4 245 VAL O 40 -0.550000 15.9994 0 + 2270 A4 246 LYS N 32 -0.400000 14.0067 0 + 2271 A4 246 LYS H 1 0.250000 1.0080 0 + 2272 A4 246 LYS CA 11 0.100000 13.0190 0 + 2273 A4 246 LYS CB 12 0.000000 14.0270 0 + 2274 A4 246 LYS CG 12 0.000000 14.0270 0 + 2275 A4 246 LYS CD 12 0.000000 14.0270 0 + 2276 A4 246 LYS CE 12 0.250000 14.0270 0 + 2277 A4 246 LYS NZ 36 -0.300000 14.0067 0 + 2278 A4 246 LYS HZ1 2 0.350000 1.0080 0 + 2279 A4 246 LYS HZ2 2 0.350000 1.0080 0 + 2280 A4 246 LYS HZ3 2 0.350000 1.0080 0 + 2281 A4 246 LYS C 14 0.600000 12.0110 0 + 2282 A4 246 LYS O 40 -0.550000 15.9994 0 + 2283 A4 247 SER N 32 -0.400000 14.0067 0 + 2284 A4 247 SER H 1 0.250000 1.0080 0 + 2285 A4 247 SER CA 11 0.100000 13.0190 0 + 2286 A4 247 SER CB 12 0.250000 14.0270 0 + 2287 A4 247 SER OG 45 -0.650000 15.9994 0 + 2288 A4 247 SER HG 8 0.400000 1.0080 0 + 2289 A4 247 SER C 14 0.600000 12.0110 0 + 2290 A4 247 SER O 40 -0.550000 15.9994 0 + 2291 A4 248 ILE N 32 -0.400000 14.0067 0 + 2292 A4 248 ILE H 1 0.250000 1.0080 0 + 2293 A4 248 ILE CA 11 0.100000 13.0190 0 + 2294 A4 248 ILE CB 11 0.000000 13.0190 0 + 2295 A4 248 ILE CG2 13 0.000000 15.0350 0 + 2296 A4 248 ILE CG1 12 0.000000 14.0270 0 + 2297 A4 248 ILE CD1 13 0.000000 15.0350 0 + 2298 A4 248 ILE C 14 0.600000 12.0110 0 + 2299 A4 248 ILE O 40 -0.550000 15.9994 0 + 2300 A4 249 LYS N 32 -0.400000 14.0067 0 + 2301 A4 249 LYS H 1 0.250000 1.0080 0 + 2302 A4 249 LYS CA 11 0.100000 13.0190 0 + 2303 A4 249 LYS CB 12 0.000000 14.0270 0 + 2304 A4 249 LYS CG 12 0.000000 14.0270 0 + 2305 A4 249 LYS CD 12 0.000000 14.0270 0 + 2306 A4 249 LYS CE 12 0.250000 14.0270 0 + 2307 A4 249 LYS NZ 36 -0.300000 14.0067 0 + 2308 A4 249 LYS HZ1 2 0.350000 1.0080 0 + 2309 A4 249 LYS HZ2 2 0.350000 1.0080 0 + 2310 A4 249 LYS HZ3 2 0.350000 1.0080 0 + 2311 A4 249 LYS C 14 0.600000 12.0110 0 + 2312 A4 249 LYS O 40 -0.550000 15.9994 0 + 2313 A4 250 ALA N 32 -0.400000 14.0067 0 + 2314 A4 250 ALA H 1 0.250000 1.0080 0 + 2315 A4 250 ALA CA 11 0.100000 13.0190 0 + 2316 A4 250 ALA CB 13 0.000000 15.0350 0 + 2317 A4 250 ALA C 14 0.600000 12.0110 0 + 2318 A4 250 ALA O 40 -0.550000 15.9994 0 + 2319 A4 251 ALA N 32 -0.400000 14.0067 0 + 2320 A4 251 ALA H 1 0.250000 1.0080 0 + 2321 A4 251 ALA CA 11 0.100000 13.0190 0 + 2322 A4 251 ALA CB 13 0.000000 15.0350 0 + 2323 A4 251 ALA C 14 0.600000 12.0110 0 + 2324 A4 251 ALA O 40 -0.550000 15.9994 0 + 2325 A4 252 SER N 32 -0.400000 14.0067 0 + 2326 A4 252 SER H 1 0.250000 1.0080 0 + 2327 A4 252 SER CA 11 0.100000 13.0190 0 + 2328 A4 252 SER CB 12 0.250000 14.0270 0 + 2329 A4 252 SER OG 45 -0.650000 15.9994 0 + 2330 A4 252 SER HG 8 0.400000 1.0080 0 + 2331 A4 252 SER C 14 0.600000 12.0110 0 + 2332 A4 252 SER O 40 -0.550000 15.9994 0 + 2333 A4 253 SER N 32 -0.400000 14.0067 0 + 2334 A4 253 SER H 1 0.250000 1.0080 0 + 2335 A4 253 SER CA 11 0.100000 13.0190 0 + 2336 A4 253 SER CB 12 0.250000 14.0270 0 + 2337 A4 253 SER OG 45 -0.650000 15.9994 0 + 2338 A4 253 SER HG 8 0.400000 1.0080 0 + 2339 A4 253 SER C 14 0.600000 12.0110 0 + 2340 A4 253 SER O 40 -0.550000 15.9994 0 + 2341 A4 254 THR N 32 -0.400000 14.0067 0 + 2342 A4 254 THR H 1 0.250000 1.0080 0 + 2343 A4 254 THR CA 11 0.100000 13.0190 0 + 2344 A4 254 THR CB 11 0.250000 13.0190 0 + 2345 A4 254 THR OG1 45 -0.650000 15.9994 0 + 2346 A4 254 THR HG1 8 0.400000 1.0080 0 + 2347 A4 254 THR CG2 13 0.000000 15.0350 0 + 2348 A4 254 THR C 14 0.600000 12.0110 0 + 2349 A4 254 THR O 40 -0.550000 15.9994 0 + 2350 A4 255 GLU N 32 -0.400000 14.0067 0 + 2351 A4 255 GLU H 1 0.250000 1.0080 0 + 2352 A4 255 GLU CA 11 0.100000 13.0190 0 + 2353 A4 255 GLU CB 12 0.000000 14.0270 0 + 2354 A4 255 GLU CG 12 0.000000 14.0270 0 + 2355 A4 255 GLU CD 14 0.140000 12.0110 0 + 2356 A4 255 GLU OE1 43 -0.570000 15.9994 0 + 2357 A4 255 GLU OE2 43 -0.570000 15.9994 0 + 2358 A4 255 GLU C 14 0.600000 12.0110 0 + 2359 A4 255 GLU O 40 -0.550000 15.9994 0 + 2360 A4 256 LYS N 32 -0.400000 14.0067 0 + 2361 A4 256 LYS H 1 0.250000 1.0080 0 + 2362 A4 256 LYS CA 11 0.100000 13.0190 0 + 2363 A4 256 LYS CB 12 0.000000 14.0270 0 + 2364 A4 256 LYS CG 12 0.000000 14.0270 0 + 2365 A4 256 LYS CD 12 0.000000 14.0270 0 + 2366 A4 256 LYS CE 12 0.250000 14.0270 0 + 2367 A4 256 LYS NZ 36 -0.300000 14.0067 0 + 2368 A4 256 LYS HZ1 2 0.350000 1.0080 0 + 2369 A4 256 LYS HZ2 2 0.350000 1.0080 0 + 2370 A4 256 LYS HZ3 2 0.350000 1.0080 0 + 2371 A4 256 LYS C 14 0.600000 12.0110 0 + 2372 A4 256 LYS O 40 -0.550000 15.9994 0 + 2373 A4 257 PHE N 32 -0.400000 14.0067 0 + 2374 A4 257 PHE H 1 0.250000 1.0080 0 + 2375 A4 257 PHE CA 11 0.100000 13.0190 0 + 2376 A4 257 PHE CB 12 0.000000 14.0270 0 + 2377 A4 257 PHE CG 22 0.000000 12.0110 0 + 2378 A4 257 PHE CD1 24 0.000000 13.0190 0 + 2379 A4 257 PHE CD2 24 0.000000 13.0190 0 + 2380 A4 257 PHE CE1 24 0.000000 13.0190 0 + 2381 A4 257 PHE CE2 24 0.000000 13.0190 0 + 2382 A4 257 PHE CZ 24 0.000000 13.0190 0 + 2383 A4 257 PHE C 14 0.600000 12.0110 0 + 2384 A4 257 PHE O 40 -0.550000 15.9994 0 + 2385 A4 258 PRO N 33 -0.250000 14.0067 0 + 2386 A4 258 PRO CD 12 0.100000 14.0270 0 + 2387 A4 258 PRO CA 11 0.100000 13.0190 0 + 2388 A4 258 PRO CB 12 0.000000 14.0270 0 + 2389 A4 258 PRO CG 12 0.000000 14.0270 0 + 2390 A4 258 PRO C 14 0.600000 12.0110 0 + 2391 A4 258 PRO O 40 -0.550000 15.9994 0 + 2392 A4 259 ASP N 32 -0.400000 14.0067 0 + 2393 A4 259 ASP H 1 0.250000 1.0080 0 + 2394 A4 259 ASP CA 11 0.100000 13.0190 0 + 2395 A4 259 ASP CB 12 0.000000 14.0270 0 + 2396 A4 259 ASP CG 14 0.140000 12.0110 0 + 2397 A4 259 ASP OD1 43 -0.570000 15.9994 0 + 2398 A4 259 ASP OD2 43 -0.570000 15.9994 0 + 2399 A4 259 ASP C 14 0.600000 12.0110 0 + 2400 A4 259 ASP O 40 -0.550000 15.9994 0 + 2401 A4 260 GLY N 32 -0.400000 14.0067 0 + 2402 A4 260 GLY H 1 0.250000 1.0080 0 + 2403 A4 260 GLY CA 12 0.100000 14.0270 0 + 2404 A4 260 GLY C 14 0.600000 12.0110 0 + 2405 A4 260 GLY O 40 -0.550000 15.9994 0 + 2406 A4 261 PHE N 32 -0.400000 14.0067 0 + 2407 A4 261 PHE H 1 0.250000 1.0080 0 + 2408 A4 261 PHE CA 11 0.100000 13.0190 0 + 2409 A4 261 PHE CB 12 0.000000 14.0270 0 + 2410 A4 261 PHE CG 22 0.000000 12.0110 0 + 2411 A4 261 PHE CD1 24 0.000000 13.0190 0 + 2412 A4 261 PHE CD2 24 0.000000 13.0190 0 + 2413 A4 261 PHE CE1 24 0.000000 13.0190 0 + 2414 A4 261 PHE CE2 24 0.000000 13.0190 0 + 2415 A4 261 PHE CZ 24 0.000000 13.0190 0 + 2416 A4 261 PHE C 14 0.600000 12.0110 0 + 2417 A4 261 PHE O 40 -0.550000 15.9994 0 + 2418 A4 262 TRP N 32 -0.400000 14.0067 0 + 2419 A4 262 TRP H 1 0.250000 1.0080 0 + 2420 A4 262 TRP CA 11 0.100000 13.0190 0 + 2421 A4 262 TRP CB 12 0.000000 14.0270 0 + 2422 A4 262 TRP CG 21 -0.030000 12.0110 0 + 2423 A4 262 TRP CD2 26 0.100000 12.0110 0 + 2424 A4 262 TRP CE2 26 -0.040000 12.0110 0 + 2425 A4 262 TRP CE3 24 -0.030000 13.0190 0 + 2426 A4 262 TRP CD1 23 0.060000 13.0190 0 + 2427 A4 262 TRP NE1 34 -0.360000 14.0067 0 + 2428 A4 262 TRP HE1 1 0.300000 1.0080 0 + 2429 A4 262 TRP CZ2 24 0.000000 13.0190 0 + 2430 A4 262 TRP CZ3 24 0.000000 13.0190 0 + 2431 A4 262 TRP CH2 24 0.000000 13.0190 0 + 2432 A4 262 TRP C 14 0.600000 12.0110 0 + 2433 A4 262 TRP O 40 -0.550000 15.9994 0 + 2434 A4 263 LEU N 32 -0.400000 14.0067 0 + 2435 A4 263 LEU H 1 0.250000 1.0080 0 + 2436 A4 263 LEU CA 11 0.100000 13.0190 0 + 2437 A4 263 LEU CB 12 0.000000 14.0270 0 + 2438 A4 263 LEU CG 11 0.000000 13.0190 0 + 2439 A4 263 LEU CD1 13 0.000000 15.0350 0 + 2440 A4 263 LEU CD2 13 0.000000 15.0350 0 + 2441 A4 263 LEU C 14 0.600000 12.0110 0 + 2442 A4 263 LEU O 40 -0.550000 15.9994 0 + 2443 A4 264 GLY N 32 -0.400000 14.0067 0 + 2444 A4 264 GLY H 1 0.250000 1.0080 0 + 2445 A4 264 GLY CA 12 0.100000 14.0270 0 + 2446 A4 264 GLY C 14 0.600000 12.0110 0 + 2447 A4 264 GLY O 40 -0.550000 15.9994 0 + 2448 A4 265 GLU N 32 -0.400000 14.0067 0 + 2449 A4 265 GLU H 1 0.250000 1.0080 0 + 2450 A4 265 GLU CA 11 0.100000 13.0190 0 + 2451 A4 265 GLU CB 12 0.000000 14.0270 0 + 2452 A4 265 GLU CG 12 0.000000 14.0270 0 + 2453 A4 265 GLU CD 14 0.140000 12.0110 0 + 2454 A4 265 GLU OE1 43 -0.570000 15.9994 0 + 2455 A4 265 GLU OE2 43 -0.570000 15.9994 0 + 2456 A4 265 GLU C 14 0.600000 12.0110 0 + 2457 A4 265 GLU O 40 -0.550000 15.9994 0 + 2458 A4 266 GLN N 32 -0.400000 14.0067 0 + 2459 A4 266 GLN H 1 0.250000 1.0080 0 + 2460 A4 266 GLN CA 11 0.100000 13.0190 0 + 2461 A4 266 GLN CB 12 0.000000 14.0270 0 + 2462 A4 266 GLN CG 12 0.000000 14.0270 0 + 2463 A4 266 GLN CD 14 0.550000 12.0110 0 + 2464 A4 266 GLN OE1 40 -0.550000 15.9994 0 + 2465 A4 266 GLN NE2 32 -0.600000 14.0067 0 + 2466 A4 266 GLN HE21 1 0.300000 1.0080 0 + 2467 A4 266 GLN HE22 1 0.300000 1.0080 0 + 2468 A4 266 GLN C 14 0.600000 12.0110 0 + 2469 A4 266 GLN O 40 -0.550000 15.9994 0 + 2470 A4 267 LEU N 32 -0.400000 14.0067 0 + 2471 A4 267 LEU H 1 0.250000 1.0080 0 + 2472 A4 267 LEU CA 11 0.100000 13.0190 0 + 2473 A4 267 LEU CB 12 0.000000 14.0270 0 + 2474 A4 267 LEU CG 11 0.000000 13.0190 0 + 2475 A4 267 LEU CD1 13 0.000000 15.0350 0 + 2476 A4 267 LEU CD2 13 0.000000 15.0350 0 + 2477 A4 267 LEU C 14 0.600000 12.0110 0 + 2478 A4 267 LEU O 40 -0.550000 15.9994 0 + 2479 A4 268 VAL N 32 -0.400000 14.0067 0 + 2480 A4 268 VAL H 1 0.250000 1.0080 0 + 2481 A4 268 VAL CA 11 0.100000 13.0190 0 + 2482 A4 268 VAL CB 11 0.000000 13.0190 0 + 2483 A4 268 VAL CG1 13 0.000000 15.0350 0 + 2484 A4 268 VAL CG2 13 0.000000 15.0350 0 + 2485 A4 268 VAL C 14 0.600000 12.0110 0 + 2486 A4 268 VAL O 40 -0.550000 15.9994 0 + 2487 A4 269 CYS N 32 -0.400000 14.0067 0 + 2488 A4 269 CYS H 1 0.250000 1.0080 0 + 2489 A4 269 CYS CA 11 0.100000 13.0190 0 + 2490 A4 269 CYS CB 12 0.190000 14.0270 0 + 2491 A4 269 CYS SG 70 -0.190000 32.0600 0 + 2492 A4 269 CYS C 14 0.600000 12.0110 0 + 2493 A4 269 CYS O 40 -0.550000 15.9994 0 + 2494 A4 270 TRP N 32 -0.400000 14.0067 0 + 2495 A4 270 TRP H 1 0.250000 1.0080 0 + 2496 A4 270 TRP CA 11 0.100000 13.0190 0 + 2497 A4 270 TRP CB 12 0.000000 14.0270 0 + 2498 A4 270 TRP CG 21 -0.030000 12.0110 0 + 2499 A4 270 TRP CD2 26 0.100000 12.0110 0 + 2500 A4 270 TRP CE2 26 -0.040000 12.0110 0 + 2501 A4 270 TRP CE3 24 -0.030000 13.0190 0 + 2502 A4 270 TRP CD1 23 0.060000 13.0190 0 + 2503 A4 270 TRP NE1 34 -0.360000 14.0067 0 + 2504 A4 270 TRP HE1 1 0.300000 1.0080 0 + 2505 A4 270 TRP CZ2 24 0.000000 13.0190 0 + 2506 A4 270 TRP CZ3 24 0.000000 13.0190 0 + 2507 A4 270 TRP CH2 24 0.000000 13.0190 0 + 2508 A4 270 TRP C 14 0.600000 12.0110 0 + 2509 A4 270 TRP O 40 -0.550000 15.9994 0 + 2510 A4 271 GLN N 32 -0.400000 14.0067 0 + 2511 A4 271 GLN H 1 0.250000 1.0080 0 + 2512 A4 271 GLN CA 11 0.100000 13.0190 0 + 2513 A4 271 GLN CB 12 0.000000 14.0270 0 + 2514 A4 271 GLN CG 12 0.000000 14.0270 0 + 2515 A4 271 GLN CD 14 0.550000 12.0110 0 + 2516 A4 271 GLN OE1 40 -0.550000 15.9994 0 + 2517 A4 271 GLN NE2 32 -0.600000 14.0067 0 + 2518 A4 271 GLN HE21 1 0.300000 1.0080 0 + 2519 A4 271 GLN HE22 1 0.300000 1.0080 0 + 2520 A4 271 GLN C 14 0.600000 12.0110 0 + 2521 A4 271 GLN O 40 -0.550000 15.9994 0 + 2522 A4 272 ALA N 32 -0.400000 14.0067 0 + 2523 A4 272 ALA H 1 0.250000 1.0080 0 + 2524 A4 272 ALA CA 11 0.100000 13.0190 0 + 2525 A4 272 ALA CB 13 0.000000 15.0350 0 + 2526 A4 272 ALA C 14 0.600000 12.0110 0 + 2527 A4 272 ALA O 40 -0.550000 15.9994 0 + 2528 A4 273 GLY N 32 -0.400000 14.0067 0 + 2529 A4 273 GLY H 1 0.250000 1.0080 0 + 2530 A4 273 GLY CA 12 0.100000 14.0270 0 + 2531 A4 273 GLY C 14 0.600000 12.0110 0 + 2532 A4 273 GLY O 40 -0.550000 15.9994 0 + 2533 A4 274 THR N 32 -0.400000 14.0067 0 + 2534 A4 274 THR H 1 0.250000 1.0080 0 + 2535 A4 274 THR CA 11 0.100000 13.0190 0 + 2536 A4 274 THR CB 11 0.250000 13.0190 0 + 2537 A4 274 THR OG1 45 -0.650000 15.9994 0 + 2538 A4 274 THR HG1 8 0.400000 1.0080 0 + 2539 A4 274 THR CG2 13 0.000000 15.0350 0 + 2540 A4 274 THR C 14 0.600000 12.0110 0 + 2541 A4 274 THR O 40 -0.550000 15.9994 0 + 2542 A4 275 THR N 32 -0.400000 14.0067 0 + 2543 A4 275 THR H 1 0.250000 1.0080 0 + 2544 A4 275 THR CA 11 0.100000 13.0190 0 + 2545 A4 275 THR CB 11 0.250000 13.0190 0 + 2546 A4 275 THR OG1 45 -0.650000 15.9994 0 + 2547 A4 275 THR HG1 8 0.400000 1.0080 0 + 2548 A4 275 THR CG2 13 0.000000 15.0350 0 + 2549 A4 275 THR C 14 0.600000 12.0110 0 + 2550 A4 275 THR O 40 -0.550000 15.9994 0 + 2551 A4 276 PRO N 33 -0.250000 14.0067 0 + 2552 A4 276 PRO CD 12 0.100000 14.0270 0 + 2553 A4 276 PRO CA 11 0.100000 13.0190 0 + 2554 A4 276 PRO CB 12 0.000000 14.0270 0 + 2555 A4 276 PRO CG 12 0.000000 14.0270 0 + 2556 A4 276 PRO C 14 0.600000 12.0110 0 + 2557 A4 276 PRO O 40 -0.550000 15.9994 0 + 2558 A4 277 TRP N 32 -0.400000 14.0067 0 + 2559 A4 277 TRP H 1 0.250000 1.0080 0 + 2560 A4 277 TRP CA 11 0.100000 13.0190 0 + 2561 A4 277 TRP CB 12 0.000000 14.0270 0 + 2562 A4 277 TRP CG 21 -0.030000 12.0110 0 + 2563 A4 277 TRP CD2 26 0.100000 12.0110 0 + 2564 A4 277 TRP CE2 26 -0.040000 12.0110 0 + 2565 A4 277 TRP CE3 24 -0.030000 13.0190 0 + 2566 A4 277 TRP CD1 23 0.060000 13.0190 0 + 2567 A4 277 TRP NE1 34 -0.360000 14.0067 0 + 2568 A4 277 TRP HE1 1 0.300000 1.0080 0 + 2569 A4 277 TRP CZ2 24 0.000000 13.0190 0 + 2570 A4 277 TRP CZ3 24 0.000000 13.0190 0 + 2571 A4 277 TRP CH2 24 0.000000 13.0190 0 + 2572 A4 277 TRP C 14 0.600000 12.0110 0 + 2573 A4 277 TRP O 40 -0.550000 15.9994 0 + 2574 A4 278 ASN N 32 -0.400000 14.0067 0 + 2575 A4 278 ASN H 1 0.250000 1.0080 0 + 2576 A4 278 ASN CA 11 0.100000 13.0190 0 + 2577 A4 278 ASN CB 12 0.000000 14.0270 0 + 2578 A4 278 ASN CG 14 0.550000 12.0110 0 + 2579 A4 278 ASN OD1 40 -0.550000 15.9994 0 + 2580 A4 278 ASN ND2 32 -0.600000 14.0067 0 + 2581 A4 278 ASN HD21 1 0.300000 1.0080 0 + 2582 A4 278 ASN HD22 1 0.300000 1.0080 0 + 2583 A4 278 ASN C 14 0.600000 12.0110 0 + 2584 A4 278 ASN O 40 -0.550000 15.9994 0 + 2585 A4 279 ILE N 32 -0.400000 14.0067 0 + 2586 A4 279 ILE H 1 0.250000 1.0080 0 + 2587 A4 279 ILE CA 11 0.100000 13.0190 0 + 2588 A4 279 ILE CB 11 0.000000 13.0190 0 + 2589 A4 279 ILE CG2 13 0.000000 15.0350 0 + 2590 A4 279 ILE CG1 12 0.000000 14.0270 0 + 2591 A4 279 ILE CD1 13 0.000000 15.0350 0 + 2592 A4 279 ILE C 14 0.600000 12.0110 0 + 2593 A4 279 ILE O 40 -0.550000 15.9994 0 + 2594 A4 280 PHE N 32 -0.400000 14.0067 0 + 2595 A4 280 PHE H 1 0.250000 1.0080 0 + 2596 A4 280 PHE CA 11 0.100000 13.0190 0 + 2597 A4 280 PHE CB 12 0.000000 14.0270 0 + 2598 A4 280 PHE CG 22 0.000000 12.0110 0 + 2599 A4 280 PHE CD1 24 0.000000 13.0190 0 + 2600 A4 280 PHE CD2 24 0.000000 13.0190 0 + 2601 A4 280 PHE CE1 24 0.000000 13.0190 0 + 2602 A4 280 PHE CE2 24 0.000000 13.0190 0 + 2603 A4 280 PHE CZ 24 0.000000 13.0190 0 + 2604 A4 280 PHE C 14 0.600000 12.0110 0 + 2605 A4 280 PHE O 40 -0.550000 15.9994 0 + 2606 A4 281 PRO N 33 -0.250000 14.0067 0 + 2607 A4 281 PRO CD 12 0.100000 14.0270 0 + 2608 A4 281 PRO CA 11 0.100000 13.0190 0 + 2609 A4 281 PRO CB 12 0.000000 14.0270 0 + 2610 A4 281 PRO CG 12 0.000000 14.0270 0 + 2611 A4 281 PRO C 14 0.600000 12.0110 0 + 2612 A4 281 PRO O 40 -0.550000 15.9994 0 + 2613 A4 282 VAL N 32 -0.400000 14.0067 0 + 2614 A4 282 VAL H 1 0.250000 1.0080 0 + 2615 A4 282 VAL CA 11 0.100000 13.0190 0 + 2616 A4 282 VAL CB 11 0.000000 13.0190 0 + 2617 A4 282 VAL CG1 13 0.000000 15.0350 0 + 2618 A4 282 VAL CG2 13 0.000000 15.0350 0 + 2619 A4 282 VAL C 14 0.600000 12.0110 0 + 2620 A4 282 VAL O 40 -0.550000 15.9994 0 + 2621 A4 283 ILE N 32 -0.400000 14.0067 0 + 2622 A4 283 ILE H 1 0.250000 1.0080 0 + 2623 A4 283 ILE CA 11 0.100000 13.0190 0 + 2624 A4 283 ILE CB 11 0.000000 13.0190 0 + 2625 A4 283 ILE CG2 13 0.000000 15.0350 0 + 2626 A4 283 ILE CG1 12 0.000000 14.0270 0 + 2627 A4 283 ILE CD1 13 0.000000 15.0350 0 + 2628 A4 283 ILE C 14 0.600000 12.0110 0 + 2629 A4 283 ILE O 40 -0.550000 15.9994 0 + 2630 A4 284 SER N 32 -0.400000 14.0067 0 + 2631 A4 284 SER H 1 0.250000 1.0080 0 + 2632 A4 284 SER CA 11 0.100000 13.0190 0 + 2633 A4 284 SER CB 12 0.250000 14.0270 0 + 2634 A4 284 SER OG 45 -0.650000 15.9994 0 + 2635 A4 284 SER HG 8 0.400000 1.0080 0 + 2636 A4 284 SER C 14 0.600000 12.0110 0 + 2637 A4 284 SER O 40 -0.550000 15.9994 0 + 2638 A4 285 LEU N 32 -0.400000 14.0067 0 + 2639 A4 285 LEU H 1 0.250000 1.0080 0 + 2640 A4 285 LEU CA 11 0.100000 13.0190 0 + 2641 A4 285 LEU CB 12 0.000000 14.0270 0 + 2642 A4 285 LEU CG 11 0.000000 13.0190 0 + 2643 A4 285 LEU CD1 13 0.000000 15.0350 0 + 2644 A4 285 LEU CD2 13 0.000000 15.0350 0 + 2645 A4 285 LEU C 14 0.600000 12.0110 0 + 2646 A4 285 LEU O 40 -0.550000 15.9994 0 + 2647 A4 286 TYR N 32 -0.400000 14.0067 0 + 2648 A4 286 TYR H 1 0.250000 1.0080 0 + 2649 A4 286 TYR CA 11 0.100000 13.0190 0 + 2650 A4 286 TYR CB 12 0.000000 14.0270 0 + 2651 A4 286 TYR CG 22 0.000000 12.0110 0 + 2652 A4 286 TYR CD1 24 0.000000 13.0190 0 + 2653 A4 286 TYR CE1 24 0.000000 13.0190 0 + 2654 A4 286 TYR CD2 24 0.000000 13.0190 0 + 2655 A4 286 TYR CE2 24 0.000000 13.0190 0 + 2656 A4 286 TYR CZ 22 0.250000 12.0110 0 + 2657 A4 286 TYR OH 45 -0.650000 15.9994 0 + 2658 A4 286 TYR HH 8 0.400000 1.0080 0 + 2659 A4 286 TYR C 14 0.600000 12.0110 0 + 2660 A4 286 TYR O 40 -0.550000 15.9994 0 + 2661 A4 287 LEU N 32 -0.400000 14.0067 0 + 2662 A4 287 LEU H 1 0.250000 1.0080 0 + 2663 A4 287 LEU CA 11 0.100000 13.0190 0 + 2664 A4 287 LEU CB 12 0.000000 14.0270 0 + 2665 A4 287 LEU CG 11 0.000000 13.0190 0 + 2666 A4 287 LEU CD1 13 0.000000 15.0350 0 + 2667 A4 287 LEU CD2 13 0.000000 15.0350 0 + 2668 A4 287 LEU C 14 0.600000 12.0110 0 + 2669 A4 287 LEU O 40 -0.550000 15.9994 0 + 2670 A4 288 MET N 32 -0.400000 14.0067 0 + 2671 A4 288 MET H 1 0.250000 1.0080 0 + 2672 A4 288 MET CA 11 0.100000 13.0190 0 + 2673 A4 288 MET CB 12 0.000000 14.0270 0 + 2674 A4 288 MET CG 12 0.060000 14.0270 0 + 2675 A4 288 MET SD 74 -0.120000 32.0600 0 + 2676 A4 288 MET CE 13 0.060000 15.0350 0 + 2677 A4 288 MET C 14 0.600000 12.0110 0 + 2678 A4 288 MET O 40 -0.550000 15.9994 0 + 2679 A4 289 GLY N 32 -0.400000 14.0067 0 + 2680 A4 289 GLY H 1 0.250000 1.0080 0 + 2681 A4 289 GLY CA 12 0.100000 14.0270 0 + 2682 A4 289 GLY C 14 0.600000 12.0110 0 + 2683 A4 289 GLY O 40 -0.550000 15.9994 0 + 2684 A4 290 GLU N 32 -0.400000 14.0067 0 + 2685 A4 290 GLU H 1 0.250000 1.0080 0 + 2686 A4 290 GLU CA 11 0.100000 13.0190 0 + 2687 A4 290 GLU CB 12 0.000000 14.0270 0 + 2688 A4 290 GLU CG 12 0.000000 14.0270 0 + 2689 A4 290 GLU CD 14 0.140000 12.0110 0 + 2690 A4 290 GLU OE1 43 -0.570000 15.9994 0 + 2691 A4 290 GLU OE2 43 -0.570000 15.9994 0 + 2692 A4 290 GLU C 14 0.600000 12.0110 0 + 2693 A4 290 GLU O 40 -0.550000 15.9994 0 + 2694 A4 291 VAL N 32 -0.400000 14.0067 0 + 2695 A4 291 VAL H 1 0.250000 1.0080 0 + 2696 A4 291 VAL CA 11 0.100000 13.0190 0 + 2697 A4 291 VAL CB 11 0.000000 13.0190 0 + 2698 A4 291 VAL CG1 13 0.000000 15.0350 0 + 2699 A4 291 VAL CG2 13 0.000000 15.0350 0 + 2700 A4 291 VAL C 14 0.600000 12.0110 0 + 2701 A4 291 VAL O 40 -0.550000 15.9994 0 + 2702 A4 292 THR N 32 -0.400000 14.0067 0 + 2703 A4 292 THR H 1 0.250000 1.0080 0 + 2704 A4 292 THR CA 11 0.100000 13.0190 0 + 2705 A4 292 THR CB 11 0.250000 13.0190 0 + 2706 A4 292 THR OG1 45 -0.650000 15.9994 0 + 2707 A4 292 THR HG1 8 0.400000 1.0080 0 + 2708 A4 292 THR CG2 13 0.000000 15.0350 0 + 2709 A4 292 THR C 14 0.600000 12.0110 0 + 2710 A4 292 THR O 40 -0.550000 15.9994 0 + 2711 A4 293 ASN N 32 -0.400000 14.0067 0 + 2712 A4 293 ASN H 1 0.250000 1.0080 0 + 2713 A4 293 ASN CA 11 0.100000 13.0190 0 + 2714 A4 293 ASN CB 12 0.000000 14.0270 0 + 2715 A4 293 ASN CG 14 0.550000 12.0110 0 + 2716 A4 293 ASN OD1 40 -0.550000 15.9994 0 + 2717 A4 293 ASN ND2 32 -0.600000 14.0067 0 + 2718 A4 293 ASN HD21 1 0.300000 1.0080 0 + 2719 A4 293 ASN HD22 1 0.300000 1.0080 0 + 2720 A4 293 ASN C 14 0.600000 12.0110 0 + 2721 A4 293 ASN O 40 -0.550000 15.9994 0 + 2722 A4 294 GLN N 32 -0.400000 14.0067 0 + 2723 A4 294 GLN H 1 0.250000 1.0080 0 + 2724 A4 294 GLN CA 11 0.100000 13.0190 0 + 2725 A4 294 GLN CB 12 0.000000 14.0270 0 + 2726 A4 294 GLN CG 12 0.000000 14.0270 0 + 2727 A4 294 GLN CD 14 0.550000 12.0110 0 + 2728 A4 294 GLN OE1 40 -0.550000 15.9994 0 + 2729 A4 294 GLN NE2 32 -0.600000 14.0067 0 + 2730 A4 294 GLN HE21 1 0.300000 1.0080 0 + 2731 A4 294 GLN HE22 1 0.300000 1.0080 0 + 2732 A4 294 GLN C 14 0.600000 12.0110 0 + 2733 A4 294 GLN O 40 -0.550000 15.9994 0 + 2734 A4 295 SER N 32 -0.400000 14.0067 0 + 2735 A4 295 SER H 1 0.250000 1.0080 0 + 2736 A4 295 SER CA 11 0.100000 13.0190 0 + 2737 A4 295 SER CB 12 0.250000 14.0270 0 + 2738 A4 295 SER OG 45 -0.650000 15.9994 0 + 2739 A4 295 SER HG 8 0.400000 1.0080 0 + 2740 A4 295 SER C 14 0.600000 12.0110 0 + 2741 A4 295 SER O 40 -0.550000 15.9994 0 + 2742 A4 296 PHE N 32 -0.400000 14.0067 0 + 2743 A4 296 PHE H 1 0.250000 1.0080 0 + 2744 A4 296 PHE CA 11 0.100000 13.0190 0 + 2745 A4 296 PHE CB 12 0.000000 14.0270 0 + 2746 A4 296 PHE CG 22 0.000000 12.0110 0 + 2747 A4 296 PHE CD1 24 0.000000 13.0190 0 + 2748 A4 296 PHE CD2 24 0.000000 13.0190 0 + 2749 A4 296 PHE CE1 24 0.000000 13.0190 0 + 2750 A4 296 PHE CE2 24 0.000000 13.0190 0 + 2751 A4 296 PHE CZ 24 0.000000 13.0190 0 + 2752 A4 296 PHE C 14 0.600000 12.0110 0 + 2753 A4 296 PHE O 40 -0.550000 15.9994 0 + 2754 A4 297 ARG N 32 -0.400000 14.0067 0 + 2755 A4 297 ARG H 1 0.250000 1.0080 0 + 2756 A4 297 ARG CA 11 0.100000 13.0190 0 + 2757 A4 297 ARG CB 12 0.000000 14.0270 0 + 2758 A4 297 ARG CG 12 0.000000 14.0270 0 + 2759 A4 297 ARG CD 12 0.100000 14.0270 0 + 2760 A4 297 ARG NE 32 -0.400000 14.0067 0 + 2761 A4 297 ARG HE 1 0.300000 1.0080 0 + 2762 A4 297 ARG CZ 14 0.500000 12.0110 0 + 2763 A4 297 ARG NH1 37 -0.450000 14.0067 0 + 2764 A4 297 ARG HH11 2 0.350000 1.0080 0 + 2765 A4 297 ARG HH12 2 0.350000 1.0080 0 + 2766 A4 297 ARG NH2 37 -0.450000 14.0067 0 + 2767 A4 297 ARG HH21 2 0.350000 1.0080 0 + 2768 A4 297 ARG HH22 2 0.350000 1.0080 0 + 2769 A4 297 ARG C 14 0.600000 12.0110 0 + 2770 A4 297 ARG O 40 -0.550000 15.9994 0 + 2771 A4 298 ILE N 32 -0.400000 14.0067 0 + 2772 A4 298 ILE H 1 0.250000 1.0080 0 + 2773 A4 298 ILE CA 11 0.100000 13.0190 0 + 2774 A4 298 ILE CB 11 0.000000 13.0190 0 + 2775 A4 298 ILE CG2 13 0.000000 15.0350 0 + 2776 A4 298 ILE CG1 12 0.000000 14.0270 0 + 2777 A4 298 ILE CD1 13 0.000000 15.0350 0 + 2778 A4 298 ILE C 14 0.600000 12.0110 0 + 2779 A4 298 ILE O 40 -0.550000 15.9994 0 + 2780 A4 299 THR N 32 -0.400000 14.0067 0 + 2781 A4 299 THR H 1 0.250000 1.0080 0 + 2782 A4 299 THR CA 11 0.100000 13.0190 0 + 2783 A4 299 THR CB 11 0.250000 13.0190 0 + 2784 A4 299 THR OG1 45 -0.650000 15.9994 0 + 2785 A4 299 THR HG1 8 0.400000 1.0080 0 + 2786 A4 299 THR CG2 13 0.000000 15.0350 0 + 2787 A4 299 THR C 14 0.600000 12.0110 0 + 2788 A4 299 THR O 40 -0.550000 15.9994 0 + 2789 A4 300 ILE N 32 -0.400000 14.0067 0 + 2790 A4 300 ILE H 1 0.250000 1.0080 0 + 2791 A4 300 ILE CA 11 0.100000 13.0190 0 + 2792 A4 300 ILE CB 11 0.000000 13.0190 0 + 2793 A4 300 ILE CG2 13 0.000000 15.0350 0 + 2794 A4 300 ILE CG1 12 0.000000 14.0270 0 + 2795 A4 300 ILE CD1 13 0.000000 15.0350 0 + 2796 A4 300 ILE C 14 0.600000 12.0110 0 + 2797 A4 300 ILE O 40 -0.550000 15.9994 0 + 2798 A4 301 LEU N 32 -0.400000 14.0067 0 + 2799 A4 301 LEU H 1 0.250000 1.0080 0 + 2800 A4 301 LEU CA 11 0.100000 13.0190 0 + 2801 A4 301 LEU CB 12 0.000000 14.0270 0 + 2802 A4 301 LEU CG 11 0.000000 13.0190 0 + 2803 A4 301 LEU CD1 13 0.000000 15.0350 0 + 2804 A4 301 LEU CD2 13 0.000000 15.0350 0 + 2805 A4 301 LEU C 14 0.600000 12.0110 0 + 2806 A4 301 LEU O 40 -0.550000 15.9994 0 + 2807 A4 302 PRO N 33 -0.250000 14.0067 0 + 2808 A4 302 PRO CD 12 0.100000 14.0270 0 + 2809 A4 302 PRO CA 11 0.100000 13.0190 0 + 2810 A4 302 PRO CB 12 0.000000 14.0270 0 + 2811 A4 302 PRO CG 12 0.000000 14.0270 0 + 2812 A4 302 PRO C 14 0.600000 12.0110 0 + 2813 A4 302 PRO O 40 -0.550000 15.9994 0 + 2814 A4 303 GLN N 32 -0.400000 14.0067 0 + 2815 A4 303 GLN H 1 0.250000 1.0080 0 + 2816 A4 303 GLN CA 11 0.100000 13.0190 0 + 2817 A4 303 GLN CB 12 0.000000 14.0270 0 + 2818 A4 303 GLN CG 12 0.000000 14.0270 0 + 2819 A4 303 GLN CD 14 0.550000 12.0110 0 + 2820 A4 303 GLN OE1 40 -0.550000 15.9994 0 + 2821 A4 303 GLN NE2 32 -0.600000 14.0067 0 + 2822 A4 303 GLN HE21 1 0.300000 1.0080 0 + 2823 A4 303 GLN HE22 1 0.300000 1.0080 0 + 2824 A4 303 GLN C 14 0.600000 12.0110 0 + 2825 A4 303 GLN O 40 -0.550000 15.9994 0 + 2826 A4 304 GLN N 32 -0.400000 14.0067 0 + 2827 A4 304 GLN H 1 0.250000 1.0080 0 + 2828 A4 304 GLN CA 11 0.100000 13.0190 0 + 2829 A4 304 GLN CB 12 0.000000 14.0270 0 + 2830 A4 304 GLN CG 12 0.000000 14.0270 0 + 2831 A4 304 GLN CD 14 0.550000 12.0110 0 + 2832 A4 304 GLN OE1 40 -0.550000 15.9994 0 + 2833 A4 304 GLN NE2 32 -0.600000 14.0067 0 + 2834 A4 304 GLN HE21 1 0.300000 1.0080 0 + 2835 A4 304 GLN HE22 1 0.300000 1.0080 0 + 2836 A4 304 GLN C 14 0.600000 12.0110 0 + 2837 A4 304 GLN O 40 -0.550000 15.9994 0 + 2838 A4 305 TYR N 32 -0.400000 14.0067 0 + 2839 A4 305 TYR H 1 0.250000 1.0080 0 + 2840 A4 305 TYR CA 11 0.100000 13.0190 0 + 2841 A4 305 TYR CB 12 0.000000 14.0270 0 + 2842 A4 305 TYR CG 22 0.000000 12.0110 0 + 2843 A4 305 TYR CD1 24 0.000000 13.0190 0 + 2844 A4 305 TYR CE1 24 0.000000 13.0190 0 + 2845 A4 305 TYR CD2 24 0.000000 13.0190 0 + 2846 A4 305 TYR CE2 24 0.000000 13.0190 0 + 2847 A4 305 TYR CZ 22 0.250000 12.0110 0 + 2848 A4 305 TYR OH 45 -0.650000 15.9994 0 + 2849 A4 305 TYR HH 8 0.400000 1.0080 0 + 2850 A4 305 TYR C 14 0.600000 12.0110 0 + 2851 A4 305 TYR O 40 -0.550000 15.9994 0 + 2852 A4 306 LEU N 32 -0.400000 14.0067 0 + 2853 A4 306 LEU H 1 0.250000 1.0080 0 + 2854 A4 306 LEU CA 11 0.100000 13.0190 0 + 2855 A4 306 LEU CB 12 0.000000 14.0270 0 + 2856 A4 306 LEU CG 11 0.000000 13.0190 0 + 2857 A4 306 LEU CD1 13 0.000000 15.0350 0 + 2858 A4 306 LEU CD2 13 0.000000 15.0350 0 + 2859 A4 306 LEU C 14 0.600000 12.0110 0 + 2860 A4 306 LEU O 40 -0.550000 15.9994 0 + 2861 A4 307 ARG N 32 -0.400000 14.0067 0 + 2862 A4 307 ARG H 1 0.250000 1.0080 0 + 2863 A4 307 ARG CA 11 0.100000 13.0190 0 + 2864 A4 307 ARG CB 12 0.000000 14.0270 0 + 2865 A4 307 ARG CG 12 0.000000 14.0270 0 + 2866 A4 307 ARG CD 12 0.100000 14.0270 0 + 2867 A4 307 ARG NE 32 -0.400000 14.0067 0 + 2868 A4 307 ARG HE 1 0.300000 1.0080 0 + 2869 A4 307 ARG CZ 14 0.500000 12.0110 0 + 2870 A4 307 ARG NH1 37 -0.450000 14.0067 0 + 2871 A4 307 ARG HH11 2 0.350000 1.0080 0 + 2872 A4 307 ARG HH12 2 0.350000 1.0080 0 + 2873 A4 307 ARG NH2 37 -0.450000 14.0067 0 + 2874 A4 307 ARG HH21 2 0.350000 1.0080 0 + 2875 A4 307 ARG HH22 2 0.350000 1.0080 0 + 2876 A4 307 ARG C 14 0.600000 12.0110 0 + 2877 A4 307 ARG O 40 -0.550000 15.9994 0 + 2878 A4 308 PRO N 33 -0.250000 14.0067 0 + 2879 A4 308 PRO CD 12 0.100000 14.0270 0 + 2880 A4 308 PRO CA 11 0.100000 13.0190 0 + 2881 A4 308 PRO CB 12 0.000000 14.0270 0 + 2882 A4 308 PRO CG 12 0.000000 14.0270 0 + 2883 A4 308 PRO C 14 0.600000 12.0110 0 + 2884 A4 308 PRO O 40 -0.550000 15.9994 0 + 2885 A4 309 VAL N 32 -0.400000 14.0067 0 + 2886 A4 309 VAL H 1 0.250000 1.0080 0 + 2887 A4 309 VAL CA 11 0.100000 13.0190 0 + 2888 A4 309 VAL CB 11 0.000000 13.0190 0 + 2889 A4 309 VAL CG1 13 0.000000 15.0350 0 + 2890 A4 309 VAL CG2 13 0.000000 15.0350 0 + 2891 A4 309 VAL C 14 0.600000 12.0110 0 + 2892 A4 309 VAL O 40 -0.550000 15.9994 0 + 2893 A4 310 GLU N 32 -0.400000 14.0067 0 + 2894 A4 310 GLU H 1 0.250000 1.0080 0 + 2895 A4 310 GLU CA 11 0.100000 13.0190 0 + 2896 A4 310 GLU CB 12 0.000000 14.0270 0 + 2897 A4 310 GLU CG 12 0.000000 14.0270 0 + 2898 A4 310 GLU CD 14 0.140000 12.0110 0 + 2899 A4 310 GLU OE1 43 -0.570000 15.9994 0 + 2900 A4 310 GLU OE2 43 -0.570000 15.9994 0 + 2901 A4 310 GLU C 14 0.600000 12.0110 0 + 2902 A4 310 GLU O 40 -0.550000 15.9994 0 + 2903 A4 311 ASP N 32 -0.400000 14.0067 0 + 2904 A4 311 ASP H 1 0.250000 1.0080 0 + 2905 A4 311 ASP CA 11 0.100000 13.0190 0 + 2906 A4 311 ASP CB 12 0.000000 14.0270 0 + 2907 A4 311 ASP CG 14 0.140000 12.0110 0 + 2908 A4 311 ASP OD1 43 -0.570000 15.9994 0 + 2909 A4 311 ASP OD2 43 -0.570000 15.9994 0 + 2910 A4 311 ASP C 14 0.600000 12.0110 0 + 2911 A4 311 ASP O 40 -0.550000 15.9994 0 + 2912 A4 312 VAL N 32 -0.400000 14.0067 0 + 2913 A4 312 VAL H 1 0.250000 1.0080 0 + 2914 A4 312 VAL CA 11 0.100000 13.0190 0 + 2915 A4 312 VAL CB 11 0.000000 13.0190 0 + 2916 A4 312 VAL CG1 13 0.000000 15.0350 0 + 2917 A4 312 VAL CG2 13 0.000000 15.0350 0 + 2918 A4 312 VAL C 14 0.600000 12.0110 0 + 2919 A4 312 VAL O 40 -0.550000 15.9994 0 + 2920 A4 313 ALA N 32 -0.400000 14.0067 0 + 2921 A4 313 ALA H 1 0.250000 1.0080 0 + 2922 A4 313 ALA CA 11 0.100000 13.0190 0 + 2923 A4 313 ALA CB 13 0.000000 15.0350 0 + 2924 A4 313 ALA C 14 0.600000 12.0110 0 + 2925 A4 313 ALA O 40 -0.550000 15.9994 0 + 2926 A4 314 THR N 32 -0.400000 14.0067 0 + 2927 A4 314 THR H 1 0.250000 1.0080 0 + 2928 A4 314 THR CA 11 0.100000 13.0190 0 + 2929 A4 314 THR CB 11 0.250000 13.0190 0 + 2930 A4 314 THR OG1 45 -0.650000 15.9994 0 + 2931 A4 314 THR HG1 8 0.400000 1.0080 0 + 2932 A4 314 THR CG2 13 0.000000 15.0350 0 + 2933 A4 314 THR C 14 0.600000 12.0110 0 + 2934 A4 314 THR O 40 -0.550000 15.9994 0 + 2935 A4 315 SER N 32 -0.400000 14.0067 0 + 2936 A4 315 SER H 1 0.250000 1.0080 0 + 2937 A4 315 SER CA 11 0.100000 13.0190 0 + 2938 A4 315 SER CB 12 0.250000 14.0270 0 + 2939 A4 315 SER OG 45 -0.650000 15.9994 0 + 2940 A4 315 SER HG 8 0.400000 1.0080 0 + 2941 A4 315 SER C 14 0.600000 12.0110 0 + 2942 A4 315 SER O 40 -0.550000 15.9994 0 + 2943 A4 316 GLN N 32 -0.400000 14.0067 0 + 2944 A4 316 GLN H 1 0.250000 1.0080 0 + 2945 A4 316 GLN CA 11 0.100000 13.0190 0 + 2946 A4 316 GLN CB 12 0.000000 14.0270 0 + 2947 A4 316 GLN CG 12 0.000000 14.0270 0 + 2948 A4 316 GLN CD 14 0.550000 12.0110 0 + 2949 A4 316 GLN OE1 40 -0.550000 15.9994 0 + 2950 A4 316 GLN NE2 32 -0.600000 14.0067 0 + 2951 A4 316 GLN HE21 1 0.300000 1.0080 0 + 2952 A4 316 GLN HE22 1 0.300000 1.0080 0 + 2953 A4 316 GLN C 14 0.600000 12.0110 0 + 2954 A4 316 GLN O 40 -0.550000 15.9994 0 + 2955 A4 317 ASP N 32 -0.400000 14.0067 0 + 2956 A4 317 ASP H 1 0.250000 1.0080 0 + 2957 A4 317 ASP CA 11 0.100000 13.0190 0 + 2958 A4 317 ASP CB 12 0.000000 14.0270 0 + 2959 A4 317 ASP CG 14 0.140000 12.0110 0 + 2960 A4 317 ASP OD1 43 -0.570000 15.9994 0 + 2961 A4 317 ASP OD2 43 -0.570000 15.9994 0 + 2962 A4 317 ASP C 14 0.600000 12.0110 0 + 2963 A4 317 ASP O 40 -0.550000 15.9994 0 + 2964 A4 318 ASP N 32 -0.400000 14.0067 0 + 2965 A4 318 ASP H 1 0.250000 1.0080 0 + 2966 A4 318 ASP CA 11 0.100000 13.0190 0 + 2967 A4 318 ASP CB 12 0.000000 14.0270 0 + 2968 A4 318 ASP CG 14 0.140000 12.0110 0 + 2969 A4 318 ASP OD1 43 -0.570000 15.9994 0 + 2970 A4 318 ASP OD2 43 -0.570000 15.9994 0 + 2971 A4 318 ASP C 14 0.600000 12.0110 0 + 2972 A4 318 ASP O 40 -0.550000 15.9994 0 + 2973 A4 319 CYS N 32 -0.400000 14.0067 0 + 2974 A4 319 CYS H 1 0.250000 1.0080 0 + 2975 A4 319 CYS CA 11 0.100000 13.0190 0 + 2976 A4 319 CYS CB 12 0.190000 14.0270 0 + 2977 A4 319 CYS SG 70 -0.190000 32.0600 0 + 2978 A4 319 CYS C 14 0.600000 12.0110 0 + 2979 A4 319 CYS O 40 -0.550000 15.9994 0 + 2980 A4 320 TYR N 32 -0.400000 14.0067 0 + 2981 A4 320 TYR H 1 0.250000 1.0080 0 + 2982 A4 320 TYR CA 11 0.100000 13.0190 0 + 2983 A4 320 TYR CB 12 0.000000 14.0270 0 + 2984 A4 320 TYR CG 22 0.000000 12.0110 0 + 2985 A4 320 TYR CD1 24 0.000000 13.0190 0 + 2986 A4 320 TYR CE1 24 0.000000 13.0190 0 + 2987 A4 320 TYR CD2 24 0.000000 13.0190 0 + 2988 A4 320 TYR CE2 24 0.000000 13.0190 0 + 2989 A4 320 TYR CZ 22 0.250000 12.0110 0 + 2990 A4 320 TYR OH 45 -0.650000 15.9994 0 + 2991 A4 320 TYR HH 8 0.400000 1.0080 0 + 2992 A4 320 TYR C 14 0.600000 12.0110 0 + 2993 A4 320 TYR O 40 -0.550000 15.9994 0 + 2994 A4 321 LYS N 32 -0.400000 14.0067 0 + 2995 A4 321 LYS H 1 0.250000 1.0080 0 + 2996 A4 321 LYS CA 11 0.100000 13.0190 0 + 2997 A4 321 LYS CB 12 0.000000 14.0270 0 + 2998 A4 321 LYS CG 12 0.000000 14.0270 0 + 2999 A4 321 LYS CD 12 0.000000 14.0270 0 + 3000 A4 321 LYS CE 12 0.250000 14.0270 0 + 3001 A4 321 LYS NZ 36 -0.300000 14.0067 0 + 3002 A4 321 LYS HZ1 2 0.350000 1.0080 0 + 3003 A4 321 LYS HZ2 2 0.350000 1.0080 0 + 3004 A4 321 LYS HZ3 2 0.350000 1.0080 0 + 3005 A4 321 LYS C 14 0.600000 12.0110 0 + 3006 A4 321 LYS O 40 -0.550000 15.9994 0 + 3007 A4 322 PHE N 32 -0.400000 14.0067 0 + 3008 A4 322 PHE H 1 0.250000 1.0080 0 + 3009 A4 322 PHE CA 11 0.100000 13.0190 0 + 3010 A4 322 PHE CB 12 0.000000 14.0270 0 + 3011 A4 322 PHE CG 22 0.000000 12.0110 0 + 3012 A4 322 PHE CD1 24 0.000000 13.0190 0 + 3013 A4 322 PHE CD2 24 0.000000 13.0190 0 + 3014 A4 322 PHE CE1 24 0.000000 13.0190 0 + 3015 A4 322 PHE CE2 24 0.000000 13.0190 0 + 3016 A4 322 PHE CZ 24 0.000000 13.0190 0 + 3017 A4 322 PHE C 14 0.600000 12.0110 0 + 3018 A4 322 PHE O 40 -0.550000 15.9994 0 + 3019 A4 323 ALA N 32 -0.400000 14.0067 0 + 3020 A4 323 ALA H 1 0.250000 1.0080 0 + 3021 A4 323 ALA CA 11 0.100000 13.0190 0 + 3022 A4 323 ALA CB 13 0.000000 15.0350 0 + 3023 A4 323 ALA C 14 0.600000 12.0110 0 + 3024 A4 323 ALA O 40 -0.550000 15.9994 0 + 3025 A4 324 ILE N 32 -0.400000 14.0067 0 + 3026 A4 324 ILE H 1 0.250000 1.0080 0 + 3027 A4 324 ILE CA 11 0.100000 13.0190 0 + 3028 A4 324 ILE CB 11 0.000000 13.0190 0 + 3029 A4 324 ILE CG2 13 0.000000 15.0350 0 + 3030 A4 324 ILE CG1 12 0.000000 14.0270 0 + 3031 A4 324 ILE CD1 13 0.000000 15.0350 0 + 3032 A4 324 ILE C 14 0.600000 12.0110 0 + 3033 A4 324 ILE O 40 -0.550000 15.9994 0 + 3034 A4 325 SER N 32 -0.400000 14.0067 0 + 3035 A4 325 SER H 1 0.250000 1.0080 0 + 3036 A4 325 SER CA 11 0.100000 13.0190 0 + 3037 A4 325 SER CB 12 0.250000 14.0270 0 + 3038 A4 325 SER OG 45 -0.650000 15.9994 0 + 3039 A4 325 SER HG 8 0.400000 1.0080 0 + 3040 A4 325 SER C 14 0.600000 12.0110 0 + 3041 A4 325 SER O 40 -0.550000 15.9994 0 + 3042 A4 326 GLN N 32 -0.400000 14.0067 0 + 3043 A4 326 GLN H 1 0.250000 1.0080 0 + 3044 A4 326 GLN CA 11 0.100000 13.0190 0 + 3045 A4 326 GLN CB 12 0.000000 14.0270 0 + 3046 A4 326 GLN CG 12 0.000000 14.0270 0 + 3047 A4 326 GLN CD 14 0.550000 12.0110 0 + 3048 A4 326 GLN OE1 40 -0.550000 15.9994 0 + 3049 A4 326 GLN NE2 32 -0.600000 14.0067 0 + 3050 A4 326 GLN HE21 1 0.300000 1.0080 0 + 3051 A4 326 GLN HE22 1 0.300000 1.0080 0 + 3052 A4 326 GLN C 14 0.600000 12.0110 0 + 3053 A4 326 GLN O 40 -0.550000 15.9994 0 + 3054 A4 327 SER N 32 -0.400000 14.0067 0 + 3055 A4 327 SER H 1 0.250000 1.0080 0 + 3056 A4 327 SER CA 11 0.100000 13.0190 0 + 3057 A4 327 SER CB 12 0.250000 14.0270 0 + 3058 A4 327 SER OG 45 -0.650000 15.9994 0 + 3059 A4 327 SER HG 8 0.400000 1.0080 0 + 3060 A4 327 SER C 14 0.600000 12.0110 0 + 3061 A4 327 SER O 40 -0.550000 15.9994 0 + 3062 A4 328 SER N 32 -0.400000 14.0067 0 + 3063 A4 328 SER H 1 0.250000 1.0080 0 + 3064 A4 328 SER CA 11 0.100000 13.0190 0 + 3065 A4 328 SER CB 12 0.250000 14.0270 0 + 3066 A4 328 SER OG 45 -0.650000 15.9994 0 + 3067 A4 328 SER HG 8 0.400000 1.0080 0 + 3068 A4 328 SER C 14 0.600000 12.0110 0 + 3069 A4 328 SER O 40 -0.550000 15.9994 0 + 3070 A4 329 THR N 32 -0.400000 14.0067 0 + 3071 A4 329 THR H 1 0.250000 1.0080 0 + 3072 A4 329 THR CA 11 0.100000 13.0190 0 + 3073 A4 329 THR CB 11 0.250000 13.0190 0 + 3074 A4 329 THR OG1 45 -0.650000 15.9994 0 + 3075 A4 329 THR HG1 8 0.400000 1.0080 0 + 3076 A4 329 THR CG2 13 0.000000 15.0350 0 + 3077 A4 329 THR C 14 0.600000 12.0110 0 + 3078 A4 329 THR O 40 -0.550000 15.9994 0 + 3079 A4 330 GLY N 32 -0.400000 14.0067 0 + 3080 A4 330 GLY H 1 0.250000 1.0080 0 + 3081 A4 330 GLY CA 12 0.100000 14.0270 0 + 3082 A4 330 GLY C 14 0.600000 12.0110 0 + 3083 A4 330 GLY O 40 -0.550000 15.9994 0 + 3084 A4 331 THR N 32 -0.400000 14.0067 0 + 3085 A4 331 THR H 1 0.250000 1.0080 0 + 3086 A4 331 THR CA 11 0.100000 13.0190 0 + 3087 A4 331 THR CB 11 0.250000 13.0190 0 + 3088 A4 331 THR OG1 45 -0.650000 15.9994 0 + 3089 A4 331 THR HG1 8 0.400000 1.0080 0 + 3090 A4 331 THR CG2 13 0.000000 15.0350 0 + 3091 A4 331 THR C 14 0.600000 12.0110 0 + 3092 A4 331 THR O 40 -0.550000 15.9994 0 + 3093 A4 332 VAL N 32 -0.400000 14.0067 0 + 3094 A4 332 VAL H 1 0.250000 1.0080 0 + 3095 A4 332 VAL CA 11 0.100000 13.0190 0 + 3096 A4 332 VAL CB 11 0.000000 13.0190 0 + 3097 A4 332 VAL CG1 13 0.000000 15.0350 0 + 3098 A4 332 VAL CG2 13 0.000000 15.0350 0 + 3099 A4 332 VAL C 14 0.600000 12.0110 0 + 3100 A4 332 VAL O 40 -0.550000 15.9994 0 + 3101 A4 333 MET N 32 -0.400000 14.0067 0 + 3102 A4 333 MET H 1 0.250000 1.0080 0 + 3103 A4 333 MET CA 11 0.100000 13.0190 0 + 3104 A4 333 MET CB 12 0.000000 14.0270 0 + 3105 A4 333 MET CG 12 0.060000 14.0270 0 + 3106 A4 333 MET SD 74 -0.120000 32.0600 0 + 3107 A4 333 MET CE 13 0.060000 15.0350 0 + 3108 A4 333 MET C 14 0.600000 12.0110 0 + 3109 A4 333 MET O 40 -0.550000 15.9994 0 + 3110 A4 334 GLY N 32 -0.400000 14.0067 0 + 3111 A4 334 GLY H 1 0.250000 1.0080 0 + 3112 A4 334 GLY CA 12 0.100000 14.0270 0 + 3113 A4 334 GLY C 14 0.600000 12.0110 0 + 3114 A4 334 GLY O 40 -0.550000 15.9994 0 + 3115 A4 335 ALA N 32 -0.400000 14.0067 0 + 3116 A4 335 ALA H 1 0.250000 1.0080 0 + 3117 A4 335 ALA CA 11 0.100000 13.0190 0 + 3118 A4 335 ALA CB 13 0.000000 15.0350 0 + 3119 A4 335 ALA C 14 0.600000 12.0110 0 + 3120 A4 335 ALA O 40 -0.550000 15.9994 0 + 3121 A4 336 VAL N 32 -0.400000 14.0067 0 + 3122 A4 336 VAL H 1 0.250000 1.0080 0 + 3123 A4 336 VAL CA 11 0.100000 13.0190 0 + 3124 A4 336 VAL CB 11 0.000000 13.0190 0 + 3125 A4 336 VAL CG1 13 0.000000 15.0350 0 + 3126 A4 336 VAL CG2 13 0.000000 15.0350 0 + 3127 A4 336 VAL C 14 0.600000 12.0110 0 + 3128 A4 336 VAL O 40 -0.550000 15.9994 0 + 3129 A4 337 ILE N 32 -0.400000 14.0067 0 + 3130 A4 337 ILE H 1 0.250000 1.0080 0 + 3131 A4 337 ILE CA 11 0.100000 13.0190 0 + 3132 A4 337 ILE CB 11 0.000000 13.0190 0 + 3133 A4 337 ILE CG2 13 0.000000 15.0350 0 + 3134 A4 337 ILE CG1 12 0.000000 14.0270 0 + 3135 A4 337 ILE CD1 13 0.000000 15.0350 0 + 3136 A4 337 ILE C 14 0.600000 12.0110 0 + 3137 A4 337 ILE O 40 -0.550000 15.9994 0 + 3138 A4 338 MET N 32 -0.400000 14.0067 0 + 3139 A4 338 MET H 1 0.250000 1.0080 0 + 3140 A4 338 MET CA 11 0.100000 13.0190 0 + 3141 A4 338 MET CB 12 0.000000 14.0270 0 + 3142 A4 338 MET CG 12 0.060000 14.0270 0 + 3143 A4 338 MET SD 74 -0.120000 32.0600 0 + 3144 A4 338 MET CE 13 0.060000 15.0350 0 + 3145 A4 338 MET C 14 0.600000 12.0110 0 + 3146 A4 338 MET O 40 -0.550000 15.9994 0 + 3147 A4 339 GLU N 32 -0.400000 14.0067 0 + 3148 A4 339 GLU H 1 0.250000 1.0080 0 + 3149 A4 339 GLU CA 11 0.100000 13.0190 0 + 3150 A4 339 GLU CB 12 0.000000 14.0270 0 + 3151 A4 339 GLU CG 12 0.000000 14.0270 0 + 3152 A4 339 GLU CD 14 0.140000 12.0110 0 + 3153 A4 339 GLU OE1 43 -0.570000 15.9994 0 + 3154 A4 339 GLU OE2 43 -0.570000 15.9994 0 + 3155 A4 339 GLU C 14 0.600000 12.0110 0 + 3156 A4 339 GLU O 40 -0.550000 15.9994 0 + 3157 A4 340 GLY N 32 -0.400000 14.0067 0 + 3158 A4 340 GLY H 1 0.250000 1.0080 0 + 3159 A4 340 GLY CA 12 0.100000 14.0270 0 + 3160 A4 340 GLY C 14 0.600000 12.0110 0 + 3161 A4 340 GLY O 40 -0.550000 15.9994 0 + 3162 A4 341 PHE N 32 -0.400000 14.0067 0 + 3163 A4 341 PHE H 1 0.250000 1.0080 0 + 3164 A4 341 PHE CA 11 0.100000 13.0190 0 + 3165 A4 341 PHE CB 12 0.000000 14.0270 0 + 3166 A4 341 PHE CG 22 0.000000 12.0110 0 + 3167 A4 341 PHE CD1 24 0.000000 13.0190 0 + 3168 A4 341 PHE CD2 24 0.000000 13.0190 0 + 3169 A4 341 PHE CE1 24 0.000000 13.0190 0 + 3170 A4 341 PHE CE2 24 0.000000 13.0190 0 + 3171 A4 341 PHE CZ 24 0.000000 13.0190 0 + 3172 A4 341 PHE C 14 0.600000 12.0110 0 + 3173 A4 341 PHE O 40 -0.550000 15.9994 0 + 3174 A4 342 TYR N 32 -0.400000 14.0067 0 + 3175 A4 342 TYR H 1 0.250000 1.0080 0 + 3176 A4 342 TYR CA 11 0.100000 13.0190 0 + 3177 A4 342 TYR CB 12 0.000000 14.0270 0 + 3178 A4 342 TYR CG 22 0.000000 12.0110 0 + 3179 A4 342 TYR CD1 24 0.000000 13.0190 0 + 3180 A4 342 TYR CE1 24 0.000000 13.0190 0 + 3181 A4 342 TYR CD2 24 0.000000 13.0190 0 + 3182 A4 342 TYR CE2 24 0.000000 13.0190 0 + 3183 A4 342 TYR CZ 22 0.250000 12.0110 0 + 3184 A4 342 TYR OH 45 -0.650000 15.9994 0 + 3185 A4 342 TYR HH 8 0.400000 1.0080 0 + 3186 A4 342 TYR C 14 0.600000 12.0110 0 + 3187 A4 342 TYR O 40 -0.550000 15.9994 0 + 3188 A4 343 VAL N 32 -0.400000 14.0067 0 + 3189 A4 343 VAL H 1 0.250000 1.0080 0 + 3190 A4 343 VAL CA 11 0.100000 13.0190 0 + 3191 A4 343 VAL CB 11 0.000000 13.0190 0 + 3192 A4 343 VAL CG1 13 0.000000 15.0350 0 + 3193 A4 343 VAL CG2 13 0.000000 15.0350 0 + 3194 A4 343 VAL C 14 0.600000 12.0110 0 + 3195 A4 343 VAL O 40 -0.550000 15.9994 0 + 3196 A4 344 VAL N 32 -0.400000 14.0067 0 + 3197 A4 344 VAL H 1 0.250000 1.0080 0 + 3198 A4 344 VAL CA 11 0.100000 13.0190 0 + 3199 A4 344 VAL CB 11 0.000000 13.0190 0 + 3200 A4 344 VAL CG1 13 0.000000 15.0350 0 + 3201 A4 344 VAL CG2 13 0.000000 15.0350 0 + 3202 A4 344 VAL C 14 0.600000 12.0110 0 + 3203 A4 344 VAL O 40 -0.550000 15.9994 0 + 3204 A4 345 PHE N 32 -0.400000 14.0067 0 + 3205 A4 345 PHE H 1 0.250000 1.0080 0 + 3206 A4 345 PHE CA 11 0.100000 13.0190 0 + 3207 A4 345 PHE CB 12 0.000000 14.0270 0 + 3208 A4 345 PHE CG 22 0.000000 12.0110 0 + 3209 A4 345 PHE CD1 24 0.000000 13.0190 0 + 3210 A4 345 PHE CD2 24 0.000000 13.0190 0 + 3211 A4 345 PHE CE1 24 0.000000 13.0190 0 + 3212 A4 345 PHE CE2 24 0.000000 13.0190 0 + 3213 A4 345 PHE CZ 24 0.000000 13.0190 0 + 3214 A4 345 PHE C 14 0.600000 12.0110 0 + 3215 A4 345 PHE O 40 -0.550000 15.9994 0 + 3216 A4 346 ASP N 32 -0.400000 14.0067 0 + 3217 A4 346 ASP H 1 0.250000 1.0080 0 + 3218 A4 346 ASP CA 11 0.100000 13.0190 0 + 3219 A4 346 ASP CB 12 0.000000 14.0270 0 + 3220 A4 346 ASP CG 14 0.140000 12.0110 0 + 3221 A4 346 ASP OD1 43 -0.570000 15.9994 0 + 3222 A4 346 ASP OD2 43 -0.570000 15.9994 0 + 3223 A4 346 ASP C 14 0.600000 12.0110 0 + 3224 A4 346 ASP O 40 -0.550000 15.9994 0 + 3225 A4 347 ARG N 32 -0.400000 14.0067 0 + 3226 A4 347 ARG H 1 0.250000 1.0080 0 + 3227 A4 347 ARG CA 11 0.100000 13.0190 0 + 3228 A4 347 ARG CB 12 0.000000 14.0270 0 + 3229 A4 347 ARG CG 12 0.000000 14.0270 0 + 3230 A4 347 ARG CD 12 0.100000 14.0270 0 + 3231 A4 347 ARG NE 32 -0.400000 14.0067 0 + 3232 A4 347 ARG HE 1 0.300000 1.0080 0 + 3233 A4 347 ARG CZ 14 0.500000 12.0110 0 + 3234 A4 347 ARG NH1 37 -0.450000 14.0067 0 + 3235 A4 347 ARG HH11 2 0.350000 1.0080 0 + 3236 A4 347 ARG HH12 2 0.350000 1.0080 0 + 3237 A4 347 ARG NH2 37 -0.450000 14.0067 0 + 3238 A4 347 ARG HH21 2 0.350000 1.0080 0 + 3239 A4 347 ARG HH22 2 0.350000 1.0080 0 + 3240 A4 347 ARG C 14 0.600000 12.0110 0 + 3241 A4 347 ARG O 40 -0.550000 15.9994 0 + 3242 A4 348 ALA N 32 -0.400000 14.0067 0 + 3243 A4 348 ALA H 1 0.250000 1.0080 0 + 3244 A4 348 ALA CA 11 0.100000 13.0190 0 + 3245 A4 348 ALA CB 13 0.000000 15.0350 0 + 3246 A4 348 ALA C 14 0.600000 12.0110 0 + 3247 A4 348 ALA O 40 -0.550000 15.9994 0 + 3248 A4 349 ARG N 32 -0.400000 14.0067 0 + 3249 A4 349 ARG H 1 0.250000 1.0080 0 + 3250 A4 349 ARG CA 11 0.100000 13.0190 0 + 3251 A4 349 ARG CB 12 0.000000 14.0270 0 + 3252 A4 349 ARG CG 12 0.000000 14.0270 0 + 3253 A4 349 ARG CD 12 0.100000 14.0270 0 + 3254 A4 349 ARG NE 32 -0.400000 14.0067 0 + 3255 A4 349 ARG HE 1 0.300000 1.0080 0 + 3256 A4 349 ARG CZ 14 0.500000 12.0110 0 + 3257 A4 349 ARG NH1 37 -0.450000 14.0067 0 + 3258 A4 349 ARG HH11 2 0.350000 1.0080 0 + 3259 A4 349 ARG HH12 2 0.350000 1.0080 0 + 3260 A4 349 ARG NH2 37 -0.450000 14.0067 0 + 3261 A4 349 ARG HH21 2 0.350000 1.0080 0 + 3262 A4 349 ARG HH22 2 0.350000 1.0080 0 + 3263 A4 349 ARG C 14 0.600000 12.0110 0 + 3264 A4 349 ARG O 40 -0.550000 15.9994 0 + 3265 A4 350 LYS N 32 -0.400000 14.0067 0 + 3266 A4 350 LYS H 1 0.250000 1.0080 0 + 3267 A4 350 LYS CA 11 0.100000 13.0190 0 + 3268 A4 350 LYS CB 12 0.000000 14.0270 0 + 3269 A4 350 LYS CG 12 0.000000 14.0270 0 + 3270 A4 350 LYS CD 12 0.000000 14.0270 0 + 3271 A4 350 LYS CE 12 0.250000 14.0270 0 + 3272 A4 350 LYS NZ 36 -0.300000 14.0067 0 + 3273 A4 350 LYS HZ1 2 0.350000 1.0080 0 + 3274 A4 350 LYS HZ2 2 0.350000 1.0080 0 + 3275 A4 350 LYS HZ3 2 0.350000 1.0080 0 + 3276 A4 350 LYS C 14 0.600000 12.0110 0 + 3277 A4 350 LYS O 40 -0.550000 15.9994 0 + 3278 A4 351 ARG N 32 -0.400000 14.0067 0 + 3279 A4 351 ARG H 1 0.250000 1.0080 0 + 3280 A4 351 ARG CA 11 0.100000 13.0190 0 + 3281 A4 351 ARG CB 12 0.000000 14.0270 0 + 3282 A4 351 ARG CG 12 0.000000 14.0270 0 + 3283 A4 351 ARG CD 12 0.100000 14.0270 0 + 3284 A4 351 ARG NE 32 -0.400000 14.0067 0 + 3285 A4 351 ARG HE 1 0.300000 1.0080 0 + 3286 A4 351 ARG CZ 14 0.500000 12.0110 0 + 3287 A4 351 ARG NH1 37 -0.450000 14.0067 0 + 3288 A4 351 ARG HH11 2 0.350000 1.0080 0 + 3289 A4 351 ARG HH12 2 0.350000 1.0080 0 + 3290 A4 351 ARG NH2 37 -0.450000 14.0067 0 + 3291 A4 351 ARG HH21 2 0.350000 1.0080 0 + 3292 A4 351 ARG HH22 2 0.350000 1.0080 0 + 3293 A4 351 ARG C 14 0.600000 12.0110 0 + 3294 A4 351 ARG O 40 -0.550000 15.9994 0 + 3295 A4 352 ILE N 32 -0.400000 14.0067 0 + 3296 A4 352 ILE H 1 0.250000 1.0080 0 + 3297 A4 352 ILE CA 11 0.100000 13.0190 0 + 3298 A4 352 ILE CB 11 0.000000 13.0190 0 + 3299 A4 352 ILE CG2 13 0.000000 15.0350 0 + 3300 A4 352 ILE CG1 12 0.000000 14.0270 0 + 3301 A4 352 ILE CD1 13 0.000000 15.0350 0 + 3302 A4 352 ILE C 14 0.600000 12.0110 0 + 3303 A4 352 ILE O 40 -0.550000 15.9994 0 + 3304 A4 353 GLY N 32 -0.400000 14.0067 0 + 3305 A4 353 GLY H 1 0.250000 1.0080 0 + 3306 A4 353 GLY CA 12 0.100000 14.0270 0 + 3307 A4 353 GLY C 14 0.600000 12.0110 0 + 3308 A4 353 GLY O 40 -0.550000 15.9994 0 + 3309 A4 354 PHE N 32 -0.400000 14.0067 0 + 3310 A4 354 PHE H 1 0.250000 1.0080 0 + 3311 A4 354 PHE CA 11 0.100000 13.0190 0 + 3312 A4 354 PHE CB 12 0.000000 14.0270 0 + 3313 A4 354 PHE CG 22 0.000000 12.0110 0 + 3314 A4 354 PHE CD1 24 0.000000 13.0190 0 + 3315 A4 354 PHE CD2 24 0.000000 13.0190 0 + 3316 A4 354 PHE CE1 24 0.000000 13.0190 0 + 3317 A4 354 PHE CE2 24 0.000000 13.0190 0 + 3318 A4 354 PHE CZ 24 0.000000 13.0190 0 + 3319 A4 354 PHE C 14 0.600000 12.0110 0 + 3320 A4 354 PHE O 40 -0.550000 15.9994 0 + 3321 A4 355 ALA N 32 -0.400000 14.0067 0 + 3322 A4 355 ALA H 1 0.250000 1.0080 0 + 3323 A4 355 ALA CA 11 0.100000 13.0190 0 + 3324 A4 355 ALA CB 13 0.000000 15.0350 0 + 3325 A4 355 ALA C 14 0.600000 12.0110 0 + 3326 A4 355 ALA O 40 -0.550000 15.9994 0 + 3327 A4 356 VAL N 32 -0.400000 14.0067 0 + 3328 A4 356 VAL H 1 0.250000 1.0080 0 + 3329 A4 356 VAL CA 11 0.100000 13.0190 0 + 3330 A4 356 VAL CB 11 0.000000 13.0190 0 + 3331 A4 356 VAL CG1 13 0.000000 15.0350 0 + 3332 A4 356 VAL CG2 13 0.000000 15.0350 0 + 3333 A4 356 VAL C 14 0.600000 12.0110 0 + 3334 A4 356 VAL O 40 -0.550000 15.9994 0 + 3335 A4 357 SER N 32 -0.400000 14.0067 0 + 3336 A4 357 SER H 1 0.250000 1.0080 0 + 3337 A4 357 SER CA 11 0.100000 13.0190 0 + 3338 A4 357 SER CB 12 0.250000 14.0270 0 + 3339 A4 357 SER OG 45 -0.650000 15.9994 0 + 3340 A4 357 SER HG 8 0.400000 1.0080 0 + 3341 A4 357 SER C 14 0.600000 12.0110 0 + 3342 A4 357 SER O 40 -0.550000 15.9994 0 + 3343 A4 358 ALA N 32 -0.400000 14.0067 0 + 3344 A4 358 ALA H 1 0.250000 1.0080 0 + 3345 A4 358 ALA CA 11 0.100000 13.0190 0 + 3346 A4 358 ALA CB 13 0.000000 15.0350 0 + 3347 A4 358 ALA C 14 0.600000 12.0110 0 + 3348 A4 358 ALA O 40 -0.550000 15.9994 0 + 3349 A4 359 CYS N 32 -0.400000 14.0067 0 + 3350 A4 359 CYS H 1 0.250000 1.0080 0 + 3351 A4 359 CYS CA 11 0.100000 13.0190 0 + 3352 A4 359 CYS CB 12 0.190000 14.0270 0 + 3353 A4 359 CYS SG 70 -0.190000 32.0600 0 + 3354 A4 359 CYS C 14 0.600000 12.0110 0 + 3355 A4 359 CYS O 40 -0.550000 15.9994 0 + 3356 A4 360 HIS N 32 -0.400000 14.0067 0 + 3357 A4 360 HIS H 1 0.250000 1.0080 0 + 3358 A4 360 HIS CA 11 0.100000 13.0190 0 + 3359 A4 360 HIS CB 12 0.000000 14.0270 0 + 3360 A4 360 HIS CG 21 0.100000 12.0110 0 + 3361 A4 360 HIS ND1 34 -0.400000 14.0067 0 + 3362 A4 360 HIS HD1 1 0.300000 1.0080 0 + 3363 A4 360 HIS CD2 23 0.100000 13.0190 0 + 3364 A4 360 HIS NE2 34 -0.400000 14.0067 0 + 3365 A4 360 HIS CE1 23 0.300000 13.0190 0 + 3366 A4 360 HIS C 14 0.600000 12.0110 0 + 3367 A4 360 HIS O 40 -0.550000 15.9994 0 + 3368 A4 361 VAL N 32 -0.400000 14.0067 0 + 3369 A4 361 VAL H 1 0.250000 1.0080 0 + 3370 A4 361 VAL CA 11 0.100000 13.0190 0 + 3371 A4 361 VAL CB 11 0.000000 13.0190 0 + 3372 A4 361 VAL CG1 13 0.000000 15.0350 0 + 3373 A4 361 VAL CG2 13 0.000000 15.0350 0 + 3374 A4 361 VAL C 14 0.600000 12.0110 0 + 3375 A4 361 VAL O 40 -0.550000 15.9994 0 + 3376 A4 362 HIS N 32 -0.400000 14.0067 0 + 3377 A4 362 HIS H 1 0.250000 1.0080 0 + 3378 A4 362 HIS CA 11 0.100000 13.0190 0 + 3379 A4 362 HIS CB 12 0.000000 14.0270 0 + 3380 A4 362 HIS CG 21 0.100000 12.0110 0 + 3381 A4 362 HIS ND1 34 -0.400000 14.0067 0 + 3382 A4 362 HIS HD1 1 0.300000 1.0080 0 + 3383 A4 362 HIS CD2 23 0.100000 13.0190 0 + 3384 A4 362 HIS NE2 34 -0.400000 14.0067 0 + 3385 A4 362 HIS CE1 23 0.300000 13.0190 0 + 3386 A4 362 HIS C 14 0.600000 12.0110 0 + 3387 A4 362 HIS O 40 -0.550000 15.9994 0 + 3388 A4 363 ASP N 32 -0.400000 14.0067 0 + 3389 A4 363 ASP H 1 0.250000 1.0080 0 + 3390 A4 363 ASP CA 11 0.100000 13.0190 0 + 3391 A4 363 ASP CB 12 0.000000 14.0270 0 + 3392 A4 363 ASP CG 14 0.140000 12.0110 0 + 3393 A4 363 ASP OD1 43 -0.570000 15.9994 0 + 3394 A4 363 ASP OD2 43 -0.570000 15.9994 0 + 3395 A4 363 ASP C 14 0.600000 12.0110 0 + 3396 A4 363 ASP O 40 -0.550000 15.9994 0 + 3397 A4 364 GLU N 32 -0.400000 14.0067 0 + 3398 A4 364 GLU H 1 0.250000 1.0080 0 + 3399 A4 364 GLU CA 11 0.100000 13.0190 0 + 3400 A4 364 GLU CB 12 0.000000 14.0270 0 + 3401 A4 364 GLU CG 12 0.000000 14.0270 0 + 3402 A4 364 GLU CD 14 0.140000 12.0110 0 + 3403 A4 364 GLU OE1 43 -0.570000 15.9994 0 + 3404 A4 364 GLU OE2 43 -0.570000 15.9994 0 + 3405 A4 364 GLU C 14 0.600000 12.0110 0 + 3406 A4 364 GLU O 40 -0.550000 15.9994 0 + 3407 A4 365 PHE N 32 -0.400000 14.0067 0 + 3408 A4 365 PHE H 1 0.250000 1.0080 0 + 3409 A4 365 PHE CA 11 0.100000 13.0190 0 + 3410 A4 365 PHE CB 12 0.000000 14.0270 0 + 3411 A4 365 PHE CG 22 0.000000 12.0110 0 + 3412 A4 365 PHE CD1 24 0.000000 13.0190 0 + 3413 A4 365 PHE CD2 24 0.000000 13.0190 0 + 3414 A4 365 PHE CE1 24 0.000000 13.0190 0 + 3415 A4 365 PHE CE2 24 0.000000 13.0190 0 + 3416 A4 365 PHE CZ 24 0.000000 13.0190 0 + 3417 A4 365 PHE C 14 0.600000 12.0110 0 + 3418 A4 365 PHE O 40 -0.550000 15.9994 0 + 3419 A4 366 ARG N 32 -0.400000 14.0067 0 + 3420 A4 366 ARG H 1 0.250000 1.0080 0 + 3421 A4 366 ARG CA 11 0.100000 13.0190 0 + 3422 A4 366 ARG CB 12 0.000000 14.0270 0 + 3423 A4 366 ARG CG 12 0.000000 14.0270 0 + 3424 A4 366 ARG CD 12 0.100000 14.0270 0 + 3425 A4 366 ARG NE 32 -0.400000 14.0067 0 + 3426 A4 366 ARG HE 1 0.300000 1.0080 0 + 3427 A4 366 ARG CZ 14 0.500000 12.0110 0 + 3428 A4 366 ARG NH1 37 -0.450000 14.0067 0 + 3429 A4 366 ARG HH11 2 0.350000 1.0080 0 + 3430 A4 366 ARG HH12 2 0.350000 1.0080 0 + 3431 A4 366 ARG NH2 37 -0.450000 14.0067 0 + 3432 A4 366 ARG HH21 2 0.350000 1.0080 0 + 3433 A4 366 ARG HH22 2 0.350000 1.0080 0 + 3434 A4 366 ARG C 14 0.600000 12.0110 0 + 3435 A4 366 ARG O 40 -0.550000 15.9994 0 + 3436 A4 367 THR N 32 -0.400000 14.0067 0 + 3437 A4 367 THR H 1 0.250000 1.0080 0 + 3438 A4 367 THR CA 11 0.100000 13.0190 0 + 3439 A4 367 THR CB 11 0.250000 13.0190 0 + 3440 A4 367 THR OG1 45 -0.650000 15.9994 0 + 3441 A4 367 THR HG1 8 0.400000 1.0080 0 + 3442 A4 367 THR CG2 13 0.000000 15.0350 0 + 3443 A4 367 THR C 14 0.600000 12.0110 0 + 3444 A4 367 THR O 40 -0.550000 15.9994 0 + 3445 A4 368 ALA N 32 -0.400000 14.0067 0 + 3446 A4 368 ALA H 1 0.250000 1.0080 0 + 3447 A4 368 ALA CA 11 0.100000 13.0190 0 + 3448 A4 368 ALA CB 13 0.000000 15.0350 0 + 3449 A4 368 ALA C 14 0.600000 12.0110 0 + 3450 A4 368 ALA O 40 -0.550000 15.9994 0 + 3451 A4 369 ALA N 32 -0.400000 14.0067 0 + 3452 A4 369 ALA H 1 0.250000 1.0080 0 + 3453 A4 369 ALA CA 11 0.100000 13.0190 0 + 3454 A4 369 ALA CB 13 0.000000 15.0350 0 + 3455 A4 369 ALA C 14 0.600000 12.0110 0 + 3456 A4 369 ALA O 40 -0.550000 15.9994 0 + 3457 A4 370 VAL N 32 -0.400000 14.0067 0 + 3458 A4 370 VAL H 1 0.250000 1.0080 0 + 3459 A4 370 VAL CA 11 0.100000 13.0190 0 + 3460 A4 370 VAL CB 11 0.000000 13.0190 0 + 3461 A4 370 VAL CG1 13 0.000000 15.0350 0 + 3462 A4 370 VAL CG2 13 0.000000 15.0350 0 + 3463 A4 370 VAL C 14 0.600000 12.0110 0 + 3464 A4 370 VAL O 40 -0.550000 15.9994 0 + 3465 A4 371 GLU N 32 -0.400000 14.0067 0 + 3466 A4 371 GLU H 1 0.250000 1.0080 0 + 3467 A4 371 GLU CA 11 0.100000 13.0190 0 + 3468 A4 371 GLU CB 12 0.000000 14.0270 0 + 3469 A4 371 GLU CG 12 0.000000 14.0270 0 + 3470 A4 371 GLU CD 14 0.140000 12.0110 0 + 3471 A4 371 GLU OE1 43 -0.570000 15.9994 0 + 3472 A4 371 GLU OE2 43 -0.570000 15.9994 0 + 3473 A4 371 GLU C 14 0.600000 12.0110 0 + 3474 A4 371 GLU O 40 -0.550000 15.9994 0 + 3475 A4 372 GLY N 32 -0.400000 14.0067 0 + 3476 A4 372 GLY H 1 0.250000 1.0080 0 + 3477 A4 372 GLY CA 12 0.100000 14.0270 0 + 3478 A4 372 GLY C 14 0.600000 12.0110 0 + 3479 A4 372 GLY O 40 -0.550000 15.9994 0 + 3480 A4 373 PRO N 33 -0.250000 14.0067 0 + 3481 A4 373 PRO CD 12 0.100000 14.0270 0 + 3482 A4 373 PRO CA 11 0.100000 13.0190 0 + 3483 A4 373 PRO CB 12 0.000000 14.0270 0 + 3484 A4 373 PRO CG 12 0.000000 14.0270 0 + 3485 A4 373 PRO C 14 0.600000 12.0110 0 + 3486 A4 373 PRO O 40 -0.550000 15.9994 0 + 3487 A4 374 PHE N 32 -0.400000 14.0067 0 + 3488 A4 374 PHE H 1 0.250000 1.0080 0 + 3489 A4 374 PHE CA 11 0.100000 13.0190 0 + 3490 A4 374 PHE CB 12 0.000000 14.0270 0 + 3491 A4 374 PHE CG 22 0.000000 12.0110 0 + 3492 A4 374 PHE CD1 24 0.000000 13.0190 0 + 3493 A4 374 PHE CD2 24 0.000000 13.0190 0 + 3494 A4 374 PHE CE1 24 0.000000 13.0190 0 + 3495 A4 374 PHE CE2 24 0.000000 13.0190 0 + 3496 A4 374 PHE CZ 24 0.000000 13.0190 0 + 3497 A4 374 PHE C 14 0.600000 12.0110 0 + 3498 A4 374 PHE O 40 -0.550000 15.9994 0 + 3499 A4 375 VAL N 32 -0.400000 14.0067 0 + 3500 A4 375 VAL H 1 0.250000 1.0080 0 + 3501 A4 375 VAL CA 11 0.100000 13.0190 0 + 3502 A4 375 VAL CB 11 0.000000 13.0190 0 + 3503 A4 375 VAL CG1 13 0.000000 15.0350 0 + 3504 A4 375 VAL CG2 13 0.000000 15.0350 0 + 3505 A4 375 VAL C 14 0.600000 12.0110 0 + 3506 A4 375 VAL O 40 -0.550000 15.9994 0 + 3507 A4 376 THR N 32 -0.400000 14.0067 0 + 3508 A4 376 THR H 1 0.250000 1.0080 0 + 3509 A4 376 THR CA 11 0.100000 13.0190 0 + 3510 A4 376 THR CB 11 0.250000 13.0190 0 + 3511 A4 376 THR OG1 45 -0.650000 15.9994 0 + 3512 A4 376 THR HG1 8 0.400000 1.0080 0 + 3513 A4 376 THR CG2 13 0.000000 15.0350 0 + 3514 A4 376 THR C 14 0.600000 12.0110 0 + 3515 A4 376 THR O 40 -0.550000 15.9994 0 + 3516 A4 377 LEU N 32 -0.400000 14.0067 0 + 3517 A4 377 LEU H 1 0.250000 1.0080 0 + 3518 A4 377 LEU CA 11 0.100000 13.0190 0 + 3519 A4 377 LEU CB 12 0.000000 14.0270 0 + 3520 A4 377 LEU CG 11 0.000000 13.0190 0 + 3521 A4 377 LEU CD1 13 0.000000 15.0350 0 + 3522 A4 377 LEU CD2 13 0.000000 15.0350 0 + 3523 A4 377 LEU C 14 0.600000 12.0110 0 + 3524 A4 377 LEU O 40 -0.550000 15.9994 0 + 3525 A4 378 ASP N 32 -0.400000 14.0067 0 + 3526 A4 378 ASP H 1 0.250000 1.0080 0 + 3527 A4 378 ASP CA 11 0.100000 13.0190 0 + 3528 A4 378 ASP CB 12 0.000000 14.0270 0 + 3529 A4 378 ASP CG 14 0.140000 12.0110 0 + 3530 A4 378 ASP OD1 43 -0.570000 15.9994 0 + 3531 A4 378 ASP OD2 43 -0.570000 15.9994 0 + 3532 A4 378 ASP C 14 0.600000 12.0110 0 + 3533 A4 378 ASP O 40 -0.550000 15.9994 0 + 3534 A4 379 MET N 32 -0.400000 14.0067 0 + 3535 A4 379 MET H 1 0.250000 1.0080 0 + 3536 A4 379 MET CA 11 0.100000 13.0190 0 + 3537 A4 379 MET CB 12 0.000000 14.0270 0 + 3538 A4 379 MET CG 12 0.060000 14.0270 0 + 3539 A4 379 MET SD 74 -0.120000 32.0600 0 + 3540 A4 379 MET CE 13 0.060000 15.0350 0 + 3541 A4 379 MET C 14 0.600000 12.0110 0 + 3542 A4 379 MET O 40 -0.550000 15.9994 0 + 3543 A4 380 GLU N 32 -0.400000 14.0067 0 + 3544 A4 380 GLU H 1 0.250000 1.0080 0 + 3545 A4 380 GLU CA 11 0.100000 13.0190 0 + 3546 A4 380 GLU CB 12 0.000000 14.0270 0 + 3547 A4 380 GLU CG 12 0.000000 14.0270 0 + 3548 A4 380 GLU CD 14 0.140000 12.0110 0 + 3549 A4 380 GLU OE1 43 -0.570000 15.9994 0 + 3550 A4 380 GLU OE2 43 -0.570000 15.9994 0 + 3551 A4 380 GLU C 14 0.600000 12.0110 0 + 3552 A4 380 GLU O 40 -0.550000 15.9994 0 + 3553 A4 381 ASP N 32 -0.400000 14.0067 0 + 3554 A4 381 ASP H 1 0.250000 1.0080 0 + 3555 A4 381 ASP CA 11 0.100000 13.0190 0 + 3556 A4 381 ASP CB 12 0.000000 14.0270 0 + 3557 A4 381 ASP CG 14 0.140000 12.0110 0 + 3558 A4 381 ASP OD1 43 -0.570000 15.9994 0 + 3559 A4 381 ASP OD2 43 -0.570000 15.9994 0 + 3560 A4 381 ASP C 14 0.600000 12.0110 0 + 3561 A4 381 ASP O 40 -0.550000 15.9994 0 + 3562 A4 382 CYS N 32 -0.400000 14.0067 0 + 3563 A4 382 CYS H 1 0.250000 1.0080 0 + 3564 A4 382 CYS CA 11 0.100000 13.0190 0 + 3565 A4 382 CYS CB 12 0.190000 14.0270 0 + 3566 A4 382 CYS SG 70 -0.190000 32.0600 0 + 3567 A4 382 CYS C 14 0.600000 12.0110 0 + 3568 A4 382 CYS O 40 -0.550000 15.9994 0 + 3569 A4 383 GLY N 32 -0.400000 14.0067 0 + 3570 A4 383 GLY H 1 0.250000 1.0080 0 + 3571 A4 383 GLY CA 12 0.100000 14.0270 0 + 3572 A4 383 GLY C 14 0.600000 12.0110 0 + 3573 A4 383 GLY O 40 -0.550000 15.9994 0 + 3574 A4 384 TYR N 32 -0.400000 14.0067 0 + 3575 A4 384 TYR H 1 0.250000 1.0080 0 + 3576 A4 384 TYR CA 11 0.100000 13.0190 0 + 3577 A4 384 TYR CB 12 0.000000 14.0270 0 + 3578 A4 384 TYR CG 22 0.000000 12.0110 0 + 3579 A4 384 TYR CD1 24 0.000000 13.0190 0 + 3580 A4 384 TYR CE1 24 0.000000 13.0190 0 + 3581 A4 384 TYR CD2 24 0.000000 13.0190 0 + 3582 A4 384 TYR CE2 24 0.000000 13.0190 0 + 3583 A4 384 TYR CZ 22 0.250000 12.0110 0 + 3584 A4 384 TYR OH 45 -0.650000 15.9994 0 + 3585 A4 384 TYR HH 8 0.400000 1.0080 0 + 3586 A4 384 TYR C 14 0.600000 12.0110 0 + 3587 A4 384 TYR O 40 -0.550000 15.9994 0 + 3588 A4 385 ASN N 32 -0.400000 14.0067 0 + 3589 A4 385 ASN H 1 0.250000 1.0080 0 + 3590 A4 385 ASN CA 11 0.100000 13.0190 0 + 3591 A4 385 ASN CB 12 0.000000 14.0270 0 + 3592 A4 385 ASN CG 14 0.550000 12.0110 0 + 3593 A4 385 ASN OD1 40 -0.550000 15.9994 0 + 3594 A4 385 ASN ND2 32 -0.600000 14.0067 0 + 3595 A4 385 ASN HD21 1 0.300000 1.0080 0 + 3596 A4 385 ASN HD22 1 0.300000 1.0080 0 + 3597 A4 385 ASN C 14 0.600000 12.0110 0 + 3598 A4 385 ASN O 40 -0.550000 15.9994 0 + + 3673 !NBOND: bonds + 1 3 1 2 3 9 3 4 + 4 5 5 6 6 7 6 8 + 9 11 9 10 11 13 11 12 + 13 18 13 14 14 15 15 16 + 16 17 18 20 18 19 20 22 + 20 21 22 26 22 23 23 24 + 23 25 26 28 26 27 28 30 + 28 29 30 35 30 31 31 32 + 32 33 32 34 35 37 35 36 + 37 39 37 38 39 46 39 40 + 40 41 41 42 41 43 43 44 + 43 45 46 48 46 47 48 50 + 48 49 50 55 50 51 51 52 + 52 53 52 54 55 57 55 56 + 57 59 57 58 59 72 59 60 + 60 61 61 62 62 63 63 64 + 63 65 65 66 65 69 66 67 + 66 68 69 70 69 71 72 74 + 72 73 74 76 74 75 76 77 + 77 79 77 78 79 81 79 80 + 81 90 81 82 82 83 83 84 + 84 85 85 86 86 87 86 88 + 86 89 90 92 90 91 92 94 + 92 93 94 98 94 95 95 96 + 96 97 98 100 98 99 100 102 + 100 101 102 103 103 105 103 104 + 105 107 105 106 107 115 107 108 + 108 109 109 110 110 111 110 112 + 112 113 112 114 115 117 115 116 + 117 119 117 118 119 120 120 122 + 120 121 122 124 122 123 124 134 + 124 125 125 126 126 127 126 129 + 127 128 128 131 129 130 130 131 + 131 132 132 133 134 136 134 135 + 136 138 136 137 138 148 138 139 + 139 140 140 141 140 143 141 142 + 142 145 143 144 144 145 145 146 + 146 147 148 150 148 149 150 152 + 150 151 152 156 152 153 153 154 + 153 155 156 158 156 157 158 160 + 158 159 160 166 160 161 161 162 + 162 163 163 164 163 165 166 168 + 166 167 168 170 168 169 170 175 + 170 171 171 172 172 173 173 174 + 175 177 175 176 177 179 177 178 + 179 184 179 180 180 181 180 183 + 181 182 184 186 184 185 186 188 + 186 187 188 192 188 189 189 190 + 189 191 192 194 192 193 194 196 + 194 195 196 197 197 199 197 198 + 199 201 199 200 201 205 201 202 + 202 203 203 204 205 207 205 206 + 207 209 207 208 209 212 209 210 + 210 211 211 208 212 214 212 213 + 214 216 214 215 216 219 216 217 + 217 218 218 215 219 221 219 220 + 221 223 221 222 223 231 223 224 + 224 225 225 226 226 227 226 228 + 228 229 228 230 231 233 231 232 + 233 235 233 234 235 240 235 236 + 236 237 236 239 237 238 240 242 + 240 241 242 244 242 243 244 249 + 244 245 245 246 246 247 246 248 + 249 251 249 250 251 253 251 252 + 253 260 253 254 254 255 255 256 + 255 257 257 258 257 259 260 262 + 260 261 262 264 262 263 264 269 + 264 265 265 267 265 266 267 268 + 269 271 269 270 271 273 271 272 + 273 278 273 274 274 275 275 276 + 275 277 278 280 278 279 280 282 + 280 281 282 286 282 283 283 284 + 283 285 286 288 286 287 288 290 + 288 289 290 295 290 291 291 292 + 292 293 292 294 295 297 295 296 + 297 299 297 298 299 304 299 300 + 300 301 300 303 301 302 304 306 + 304 305 306 308 306 307 308 309 + 309 311 309 310 311 313 311 312 + 313 317 313 314 314 315 315 316 + 317 319 317 318 319 321 319 320 + 321 325 321 322 322 323 323 324 + 325 327 325 326 327 329 327 328 + 329 336 329 330 330 331 331 332 + 331 333 333 334 333 335 336 338 + 336 337 338 340 338 339 340 348 + 340 341 341 342 342 343 342 344 + 343 345 344 346 345 347 346 347 + 348 350 348 349 350 352 350 351 + 352 354 352 353 354 356 354 355 + 356 358 356 357 358 362 358 359 + 359 360 359 361 362 364 362 363 + 364 366 364 365 366 367 367 369 + 367 368 369 371 369 370 371 373 + 371 372 373 375 373 374 375 377 + 375 376 377 379 377 378 379 381 + 379 380 381 383 381 382 383 386 + 383 384 384 385 385 382 386 388 + 386 387 388 390 388 389 390 398 + 390 391 391 392 392 393 392 395 + 393 394 393 397 395 396 397 396 + 398 400 398 399 400 402 400 401 + 402 406 402 403 403 404 404 405 + 406 407 408 410 408 409 410 413 + 410 411 411 412 412 409 413 415 + 413 414 415 417 415 416 417 425 + 417 418 418 419 419 420 419 421 + 420 422 421 423 422 424 423 424 + 425 426 427 429 427 428 429 437 + 429 430 430 431 431 432 431 433 + 432 434 433 435 434 436 435 436 + 437 439 437 438 439 441 439 440 + 441 445 441 442 442 443 442 444 + 445 446 447 449 447 448 449 454 + 449 450 450 451 451 452 451 453 + 454 456 454 455 456 458 456 457 + 458 466 458 459 459 460 460 461 + 460 463 461 462 461 465 463 464 + 465 464 466 468 466 467 468 470 + 468 469 470 483 470 471 471 472 + 472 473 473 474 474 475 474 476 + 476 477 476 480 477 478 477 479 + 480 481 480 482 483 485 483 484 + 485 487 485 486 487 497 487 488 + 488 489 489 490 489 492 490 491 + 491 494 492 493 493 494 494 495 + 495 496 497 499 497 498 499 501 + 499 500 501 511 501 502 502 503 + 503 504 503 506 504 505 505 508 + 506 507 507 508 508 509 509 510 + 511 513 511 512 513 515 513 514 + 515 523 515 516 516 517 517 518 + 518 519 518 520 520 521 520 522 + 523 525 523 524 525 527 525 526 + 527 540 527 528 528 529 529 530 + 530 531 531 532 531 533 533 534 + 533 537 534 535 534 536 537 538 + 537 539 540 542 540 541 542 544 + 542 543 544 552 544 545 545 546 + 546 547 547 548 547 549 549 550 + 549 551 552 554 552 553 554 556 + 554 555 556 561 556 557 557 558 + 558 559 558 560 561 563 561 562 + 563 565 563 564 565 569 565 566 + 566 567 567 568 569 571 569 570 + 571 573 571 572 573 577 573 574 + 574 575 575 576 577 579 577 578 + 579 581 579 580 581 586 581 582 + 582 583 582 585 583 584 586 588 + 586 587 588 590 588 589 590 600 + 590 591 591 592 592 593 592 595 + 593 594 594 597 595 596 596 597 + 597 598 598 599 600 602 600 601 + 602 604 602 603 604 617 604 605 + 605 606 606 607 607 608 608 609 + 608 610 610 611 610 614 611 612 + 611 613 614 615 614 616 617 619 + 617 618 619 621 619 620 621 626 + 621 622 622 623 623 624 623 625 + 626 628 626 627 628 630 628 629 + 630 635 630 631 631 632 632 633 + 632 634 635 637 635 636 637 639 + 637 638 639 652 639 640 640 641 + 641 642 642 643 643 644 643 645 + 645 646 645 649 646 647 646 648 + 649 650 649 651 652 654 652 653 + 654 656 654 655 656 665 656 657 + 657 658 658 659 659 660 660 661 + 661 662 661 663 661 664 665 667 + 665 666 667 669 667 668 669 670 + 670 672 670 671 672 674 672 673 + 674 678 674 675 675 676 675 677 + 678 680 678 679 680 682 680 681 + 682 692 682 683 683 684 684 685 + 684 687 685 686 686 689 687 688 + 688 689 689 690 690 691 692 694 + 692 693 694 696 694 695 696 700 + 696 697 697 698 697 699 700 702 + 700 701 702 704 702 703 704 707 + 704 705 705 706 706 703 707 709 + 707 708 709 711 709 710 711 721 + 711 712 712 713 713 714 713 716 + 714 715 715 718 716 717 717 718 + 718 719 719 720 721 723 721 722 + 723 725 723 724 725 730 725 726 + 726 727 726 729 727 728 730 732 + 730 731 732 734 732 733 734 742 + 734 735 735 736 736 737 737 738 + 737 739 739 740 739 741 742 744 + 742 743 744 746 744 745 746 747 + 747 749 747 748 749 751 749 750 + 751 760 751 752 752 753 753 754 + 754 755 755 756 756 757 756 758 + 756 759 760 762 760 761 762 764 + 762 763 764 776 764 765 765 766 + 766 770 766 767 767 768 767 769 + 768 773 769 774 770 771 771 772 + 771 768 773 775 774 775 776 778 + 776 777 778 780 778 779 780 786 + 780 781 781 782 782 783 783 784 + 783 785 786 788 786 787 788 790 + 788 789 790 791 791 793 791 792 + 793 795 793 794 795 801 795 796 + 796 797 797 798 798 799 798 800 + 801 803 801 802 803 805 803 804 + 805 810 805 806 806 807 807 808 + 807 809 810 812 810 811 812 814 + 812 813 814 815 815 817 815 816 + 817 819 817 818 819 824 819 820 + 820 821 820 823 821 822 824 826 + 824 825 826 828 826 827 828 833 + 828 829 829 830 830 831 830 832 + 833 835 833 834 835 837 835 836 + 837 842 837 838 838 839 839 840 + 839 841 842 844 842 843 844 846 + 844 845 846 850 846 847 847 848 + 847 849 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0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 + + 1 0 !NGRP + 0 0 0 + diff --git a/examples/usage/BACE_4_rec_2models.pdb b/examples/usage/BACE_4_rec_2models.pdb new file mode 100644 index 0000000..b12162c --- /dev/null +++ b/examples/usage/BACE_4_rec_2models.pdb @@ -0,0 +1,7202 @@ +MODEL 1 +REMARK original generated coordinate pdb file +ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N +ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H +ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C +ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C +ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C +ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C +ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O +ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O +ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C +ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O +ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N +ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H +ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C +ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C +ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C +ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S +ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C +ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C +ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O +ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N +ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H +ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C +ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C +ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C +ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C +ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C +ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O +ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N +ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H +ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C +ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C +ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C +ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O +ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O +ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C +ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O +ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N +ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H +ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C +ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C +ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C +ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O +ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N +ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H +ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H +ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C +ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O +ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N +ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H +ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C +ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C +ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C +ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C +ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C +ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C +ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O +ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N +ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H +ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C +ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C +ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C +ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C +ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N +ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H +ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C +ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N +ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H +ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H +ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N +ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H +ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H +ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C +ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O +ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N +ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H +ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C +ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C +ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O +ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N +ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H +ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C +ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C +ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C +ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C +ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C +ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N +ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H +ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H +ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H +ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C +ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O +ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N +ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H +ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C +ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C +ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O +ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H +ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C +ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O +ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N +ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H +ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C +ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C +ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O +ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N +ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H +ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C +ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C +ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C +ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C +ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O +ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N +ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H +ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H +ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C +ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O +ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N +ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H +ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C +ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C +ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O +ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N +ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H +ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C +ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C +ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C +ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C +ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C +ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C +ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C +ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C +ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O +ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H +ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C +ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O +ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N +ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H +ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C +ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C +ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C +ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C +ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C +ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C +ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C +ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C +ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O +ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H +ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C +ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O +ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N +ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H +ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C +ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C +ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C +ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C +ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C +ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O +ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N +ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H +ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C +ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C +ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C +ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C +ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O +ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O +ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C +ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O +ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N +ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H +ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C +ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C +ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C +ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S +ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C +ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C +ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O +ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N +ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H +ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C +ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C +ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O +ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H +ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C +ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C +ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O +ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N +ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H +ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C +ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C +ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C +ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C +ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C +ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O +ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N +ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H +ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C +ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C +ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O +ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N +ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H +ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C +ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C +ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O +ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H +ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C +ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O +ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N +ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C +ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C +ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C +ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C +ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C +ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O +ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N +ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C +ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C +ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C +ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C +ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C +ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O +ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N +ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H +ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C +ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C +ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C +ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C +ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O +ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N +ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H +ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H +ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C +ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O +ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N +ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H +ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C +ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C +ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O +ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H +ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C +ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C +ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O +ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N +ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H +ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C +ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C +ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C +ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C +ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C +ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C +ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O +ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N +ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H +ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C +ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C +ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C +ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O +ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N +ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H +ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H +ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C +ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O +ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N +ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H +ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C +ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C +ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C +ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C +ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C +ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C +ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O +ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N +ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H +ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C +ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C +ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C +ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C +ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C +ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C +ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O +ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N +ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H +ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C +ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C +ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C +ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C +ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C +ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O +ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N +ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H +ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C +ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C +ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C +ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O +ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O +ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C +ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O +ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N +ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H +ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C +ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C +ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O +ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H +ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C +ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C +ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O +ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N +ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H +ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C +ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C +ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O +ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N +ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H +ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C +ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C +ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O +ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H +ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C +ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O +ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N +ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H +ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C +ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C +ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O +ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H +ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C +ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O +ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N +ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H +ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C +ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C +ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C +ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O +ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N +ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H +ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H +ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C +ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O +ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N +ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H +ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C +ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C +ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C +ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C +ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C +ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C +ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C +ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C +ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C +ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O +ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N +ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H +ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C +ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C +ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C +ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O +ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N +ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H +ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C +ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C +ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C +ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C +ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C +ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O +ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N +ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H +ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C +ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C +ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O +ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N +ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H +ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C +ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C +ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C +ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O +ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N +ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H +ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C +ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C +ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C +ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O +ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N +ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C +ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C +ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C +ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C +ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C +ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O +ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N +ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H +ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C +ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C +ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C +ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N +ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H +ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C +ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N +ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C +ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C +ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O +ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N +ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H +ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C +ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C +ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O +ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H +ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C +ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O +ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N +ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C +ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C +ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C +ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C +ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C +ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O +ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N +ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H +ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C +ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C +ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C +ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C +ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C +ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C +ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C +ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C +ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C +ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O +ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N +ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H +ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C +ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C +ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C +ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C +ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C +ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C +ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C +ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C +ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C +ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O +ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N +ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H +ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C +ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C +ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C +ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C +ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C +ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O +ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N +ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H +ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C +ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C +ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C +ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C +ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C +ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C +ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O +ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N +ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H +ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C +ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C +ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C +ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N +ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H +ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C +ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N +ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C +ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C +ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O +ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N +ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H +ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C +ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C +ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C +ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C +ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N +ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H +ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C +ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N +ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H +ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H +ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N +ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H +ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H +ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C +ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O +ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N +ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H +ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C +ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C +ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C +ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C +ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C +ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C +ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C +ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C +ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O +ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H +ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C +ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O +ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N +ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H +ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C +ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C +ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C +ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C +ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C +ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C +ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C +ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C +ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O +ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H +ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C +ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O +ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N +ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H +ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C +ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C +ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C +ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C +ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O +ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N +ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H +ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H +ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C +ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O +ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N +ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H +ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C +ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C +ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C +ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C +ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N +ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H +ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C +ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N +ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H +ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H +ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N +ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H +ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H +ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C +ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O +ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N +ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H +ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C +ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C +ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C +ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C +ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O +ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N +ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H +ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H +ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C +ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O +ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N +ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H +ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C +ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C +ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C +ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C +ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C +ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C +ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O +ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N +ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H +ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C +ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C +ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O +ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H +ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C +ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O +ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N +ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H +ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C +ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C +ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O +ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H +ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C +ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O +ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N +ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H +ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C +ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C +ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O +ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H +ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C +ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C +ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O +ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N +ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H +ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C +ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C +ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C +ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C +ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C +ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C +ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C +ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C +ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O +ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H +ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C +ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O +ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N +ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H +ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C +ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C +ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C +ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C +ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N +ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H +ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C +ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N +ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H +ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H +ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N +ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H +ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H +ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C +ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O +ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N +ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H +ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C +ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C +ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C +ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O +ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O +ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C +ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O +ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N +ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H +ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C +ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C +ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C +ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C +ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C +ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C +ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O +ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N +ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H +ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C +ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C +ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C +ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C +ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N +ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H +ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C +ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N +ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H +ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H +ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N +ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H +ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H +ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C +ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O +ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N +ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H +ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C +ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C +ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C +ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C +ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C +ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N +ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H +ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H +ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H +ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C +ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O +ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N +ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H +ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C +ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C +ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O +ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N +ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H +ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C +ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C +ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C +ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C +ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C +ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O +ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N +ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H +ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C +ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C +ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C +ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C +ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C +ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C +ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C +ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C +ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O +ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H +ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C +ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O +ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N +ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H +ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C +ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C +ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C +ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C +ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C +ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O +ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N +ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C +ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C +ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C +ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C +ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C +ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O +ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N +ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H +ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C +ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C +ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C +ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C +ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C +ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C +ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C +ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C +ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O +ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H +ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C +ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O +ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N +ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H +ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C +ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C +ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O +ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H +ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C +ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C +ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O +ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N +ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H +ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C +ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C +ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C +ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C +ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O +ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N +ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H +ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H +ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C +ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O +ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N +ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H +ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C +ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C +ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O +ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N +ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H +ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C +ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C +ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C +ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C +ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C +ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N +ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H +ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H +ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H +ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C +ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O +ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N +ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H +ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C +ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C +ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C +ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C +ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C +ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C +ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C +ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N +ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H +ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C +ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C +ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C +ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C +ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O +ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N +ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H +ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C +ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C +ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C +ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C +ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O +ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O +ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C +ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O +ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N +ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H +ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C +ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C +ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O +ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N +ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H +ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C +ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C +ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C +ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C +ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O +ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O +ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C +ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O +ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N +ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H +ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C +ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C +ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C +ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C +ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C +ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C +ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O +ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N +ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H +ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C +ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C +ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O +ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N +ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H +ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C +ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C +ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O +ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H +ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C +ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C +ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O +ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N +ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H +ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C +ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C +ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C +ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O +ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O +ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C +ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O +ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N +ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H +ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C +ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C +ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C +ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C +ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C +ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C +ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O +ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N +ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H +ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C +ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C +ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C +ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C +ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C +ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O +ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N +ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H +ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C +ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C +ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O +ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H +ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C +ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O +ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N +ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H +ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C +ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C +ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C +ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C +ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C +ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C +ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O +ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N +ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C +ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C +ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C +ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C +ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C +ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O +ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N +ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H +ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C +ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C +ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C +ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N +ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H +ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C +ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N +ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C +ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C +ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O +ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N +ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H +ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C +ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C +ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O +ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N +ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C +ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C +ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C +ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C +ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C +ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O +ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N +ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H +ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C +ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C +ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C +ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O +ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N +ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H +ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H +ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C +ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O +ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N +ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H +ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C +ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C +ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C +ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C +ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C +ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O +ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N +ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H +ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C +ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C +ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O +ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H +ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C +ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C +ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O +ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N +ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H +ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C +ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C +ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C +ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C +ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C +ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O +ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N +ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H +ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C +ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C +ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C +ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C +ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N +ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H +ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C +ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N +ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H +ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H +ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N +ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H +ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H +ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C +ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O +ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N +ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H +ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C +ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C +ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C +ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O +ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N +ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H +ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C +ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C +ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C +ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O +ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N +ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H +ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H +ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C +ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O +ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N +ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H +ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C +ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C +ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C +ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C +ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C +ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C +ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O +ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N +ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H +ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C +ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C +ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C +ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O +ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N +ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H +ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C +ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C +ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C +ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O +ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N +ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H +ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C +ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C +ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C +ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C +ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C +ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C +ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O +ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N +ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H +ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C +ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C +ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O +ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H +ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C +ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C +ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O +ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N +ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H +ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C +ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C +ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C +ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C +ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O +ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O +ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C +ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O +ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N +ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H +ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C +ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C +ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O +ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H +ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C +ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O +ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N +ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H +ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C +ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C +ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C +ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O +ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O +ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C +ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O +ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N +ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H +ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C +ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C +ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C +ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C +ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C +ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N +ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H +ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H +ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H +ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C +ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O +ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N +ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H +ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C +ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C +ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C +ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C +ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C +ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C +ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C +ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C +ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C +ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O +ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N +ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H +ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C +ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C +ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C +ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C +ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C +ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C +ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C +ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C +ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C +ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O +ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N +ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H +ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C +ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C +ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C +ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C +ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C +ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C +ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O +ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N +ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H +ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C +ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C +ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C +ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O +ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N +ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H +ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H +ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C +ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O +ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N +ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H +ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C +ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C +ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O +ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N +ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H +ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C +ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C +ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O +ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H +ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C +ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O +ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N +ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H +ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C +ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C +ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C +ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O +ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N +ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H +ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H +ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C +ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O +ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N +ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H +ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C +ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C +ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C +ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C +ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C +ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C +ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C +ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N +ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H +ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C +ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C +ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C +ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C +ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O +ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N +ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H +ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C +ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C +ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C +ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C +ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O +ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O +ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C +ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O +ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N +ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H +ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C +ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C +ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O +ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N +ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H +ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C +ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C +ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C +ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C +ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C +ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C +ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O +ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N +ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H +ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C +ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C +ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C +ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C +ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C +ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C +ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O +ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N +ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H +ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C +ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C +ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O +ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N +ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H +ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C +ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C +ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C +ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C +ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C +ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C +ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O +ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N +ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H +ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C +ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C +ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C +ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O +ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N +ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H +ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C +ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C +ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C +ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C +ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C +ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C +ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C +ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C +ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O +ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H +ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C +ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O +ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N +ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H +ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C +ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C +ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C +ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O +ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N +ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H +ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C +ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C +ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C +ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C +ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O +ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O +ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C +ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O +ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N +ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H +ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C +ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C +ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C +ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C +ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C +ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C +ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O +ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N +ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H +ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C +ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C +ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C +ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O +ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N +ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H +ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C +ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C +ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C +ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C +ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N +ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H +ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C +ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N +ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H +ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H +ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N +ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H +ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H +ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C +ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O +ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N +ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C +ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C +ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C +ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C +ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C +ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O +ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N +ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H +ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C +ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C +ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C +ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O +ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O +ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C +ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O +ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N +ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H +ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C +ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C +ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C +ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O +ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O +ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C +ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O +ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N +ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H +ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C +ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C +ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O +ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H +ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C +ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O +ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N +ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H +ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C +ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C +ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C +ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C +ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C +ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C +ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O +ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N +ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H +ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C +ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C +ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C +ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C +ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O +ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O +ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C +ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O +ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N +ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C +ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C +ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C +ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C +ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C +ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O +ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N +ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H +ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C +ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C +ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C +ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C +ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C +ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C +ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C +ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C +ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C +ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O +ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N +ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H +ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C +ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C +ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C +ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C +ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C +ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C +ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C +ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C +ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C +ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O +ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N +ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H +ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C +ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C +ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C +ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O +ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O +ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C +ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O +ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N +ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H +ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C +ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C +ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O +ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H +ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C +ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O +ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N +ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H +ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C +ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C +ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C +ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C +ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C +ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C +ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O +ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N +ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H +ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C +ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C +ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C +ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C +ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C +ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O +ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N +ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H +ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C +ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C +ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C +ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C +ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C +ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N +ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H +ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H +ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H +ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C +ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O +ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N +ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H +ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C +ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C +ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C +ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C +ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O +ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N +ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H +ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H +ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C +ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O +ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N +ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H +ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C +ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C +ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O +ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H +ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C +ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C +ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O +ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N +ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H +ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C +ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C +ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C +ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N +ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H +ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C +ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N +ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C +ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C +ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O +ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N +ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H +ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C +ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C +ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C +ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C +ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C +ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O +ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N +ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C +ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C +ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C +ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C +ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C +ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O +ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N +ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H +ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C +ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C +ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C +ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O +ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N +ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H +ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H +ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C +ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O +ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N +ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H +ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C +ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C +ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C +ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C +ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C +ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C +ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O +ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N +ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H +ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C +ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C +ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C +ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C +ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C +ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C +ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C +ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C +ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C +ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O +ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N +ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H +ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C +ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C +ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O +ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H +ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C +ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O +ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N +ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H +ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C +ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C +ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C +ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C +ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C +ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C +ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O +ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N +ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H +ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C +ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C +ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C +ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C +ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O +ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N +ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H +ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H +ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C +ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O +ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N +ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H +ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C +ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C +ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C +ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C +ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C +ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C +ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O +ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N +ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H +ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C +ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C +ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S +ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C +ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O +ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N +ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H +ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C +ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C +ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O +ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N +ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H +ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C +ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C +ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C +ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O +ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N +ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H +ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C +ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C +ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O +ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H +ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C +ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O +ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N +ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H +ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C +ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C +ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C +ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C +ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C +ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O +ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N +ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H +ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C +ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C +ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O +ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N +ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H +ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C +ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C +ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O +ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N +ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H +ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C +ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C +ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O +ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H +ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C +ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O +ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N +ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H +ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C +ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C +ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C +ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S +ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C +ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C +ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O +ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N +ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H +ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C +ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C +ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C +ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C +ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C +ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C +ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O +ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N +ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H +ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C +ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C +ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C +ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C +ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C +ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C +ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O +ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N +ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H +ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C +ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C +ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O +ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N +ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H +ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C +ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C +ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O +ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N +ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H +ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C +ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C +ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C +ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C +ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C +ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C +ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O +ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N +ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H +ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C +ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C +ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C +ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O +ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O +ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C +ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O +ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N +ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H +ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C +ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C +ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C +ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N +ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H +ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C +ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N +ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C +ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C +ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O +ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N +ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H +ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C +ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C +ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O +ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H +ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C +ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O +ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N +ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H +ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C +ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C +ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C +ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C +ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C +ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C +ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O +ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N +ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H +ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C +ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C +ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C +ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C +ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C +ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C +ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C +ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C +ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O +ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H +ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C +ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O +ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N +ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H +ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C +ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C +ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O +ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H +ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C +ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C +ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O +ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N +ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H +ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C +ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C +ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O +ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N +ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H +ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C +ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C +ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O +ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H +ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C +ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O +ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N +ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H +ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C +ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C +ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C +ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C +ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C +ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C +ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O +ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N +ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H +ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C +ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C +ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C +ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C +ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C +ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C +ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C +ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N +ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H +ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C +ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C +ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C +ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C +ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O +ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N +ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H +ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C +ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C +ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C +ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C +ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C +ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C +ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C +ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C +ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O +ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H +ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C +ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O +ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N +ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H +ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C +ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C +ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O +ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H +ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C +ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C +ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O +ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N +ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C +ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C +ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C +ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C +ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C +ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O +ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N +ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H +ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C +ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C +ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C +ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C +ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C +ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C +ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O +ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N +ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H +ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C +ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C +ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C +ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C +ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N +ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H +ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C +ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N +ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H +ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H +ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N +ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H +ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H +ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C +ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O +ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N +ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H +ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C +ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C +ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C +ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C +ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N +ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H +ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C +ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N +ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H +ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H +ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N +ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H +ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H +ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C +ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O +ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N +ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H +ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C +ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C +ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C +ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C +ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O +ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O +ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C +ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O +ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N +ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H +ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C +ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C +ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C +ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C +ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C +ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C +ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C +ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N +ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H +ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C +ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C +ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C +ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C +ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O +ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N +ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H +ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C +ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C +ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C +ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C +ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C +ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C +ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C +ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C +ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O +ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H +ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C +ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O +ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N +ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H +ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C +ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C +ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C +ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C +ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C +ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C +ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C +ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C +ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O +ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H +ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C +ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O +ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N +ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H +ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C +ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C +ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C +ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C +ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O +ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O +ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C +ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O +ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N +ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H +ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C +ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C +ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C +ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C +ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C +ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O +ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N +ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H +ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C +ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C +ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C +ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C +ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C +ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C +ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O +ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N +ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H +ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C +ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C +ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C +ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C +ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C +ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C +ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O +ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N +ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H +ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C +ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C +ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C +ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C +ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C +ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O +ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N +ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H +ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C +ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C +ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C +ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C +ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N +ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H +ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C +ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N +ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H +ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H +ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N +ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H +ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H +ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C +ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O +ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N +ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H +ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C +ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C +ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C +ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C +ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C +ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O +ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N +ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H +ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C +ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C +ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C +ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C +ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O +ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O +ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C +ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O +ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N +ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H +ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C +ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C +ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C +ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C +ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C +ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C +ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O +ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N +ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H +ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C +ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C +ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C +ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O +ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N +ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H +ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H +ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C +ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O +ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N +ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H +ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C +ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C +ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O +ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N +ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H +ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C +ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C +ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C +ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C +ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O +ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N +ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H +ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H +ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C +ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O +ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N +ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H +ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C +ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C +ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C +ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O +ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O +ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C +ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O +ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N +ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H +ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C +ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C +ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C +ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C +ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C +ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C +ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O +ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N +ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H +ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C +ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C +ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C +ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C +ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C +ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N +ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H +ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H +ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H +ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C +ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O +ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N +ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H +ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C +ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C +ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C +ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S +ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C +ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C +ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O +ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N +ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H +ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C +ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C +ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C +ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O +ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O +ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C +ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O +ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N +ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H +ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C +ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C +ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S +ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C +ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O +ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N +ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H +ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C +ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C +ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C +ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C +ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C +ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N +ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H +ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H +ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H +ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C +ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O +ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N +ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H +ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C +ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C +ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C +ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C +ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O +ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O +ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C +ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O +ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N +ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H +ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C +ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C +ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C +ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C +ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C +ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C +ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C +ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C +ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O +ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H +ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C +ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O +ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N +ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H +ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C +ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C +ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C +ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O +ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N +ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H +ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H +ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C +ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O +ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N +ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H +ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C +ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C +ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C +ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C +ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C +ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C +ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C +ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C +ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O +ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H +ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C +ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O +ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N +ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H +ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C +ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C +ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C +ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O +ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O +ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C +ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O +ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N +ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H +ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C +ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C +ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C +ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C +ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C +ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N +ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H +ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H +ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H +ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C +ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O +ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N +ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H +ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C +ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C +ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O +ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H +ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C +ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O +ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N +ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H +ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C +ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C +ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C +ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C +ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C +ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C +ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O +ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N +ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H +ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C +ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C +ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C +ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C +ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C +ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O +ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N +ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H +ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C +ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C +ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C +ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O +ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O +ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C +ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O +ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N +ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H +ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C +ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C +ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O +ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H +ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C +ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O +ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N +ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H +ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C +ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C +ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O +ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N +ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H +ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C +ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C +ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O +ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H +ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C +ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C +ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O +ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N +ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H +ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C +ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C +ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O +ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H +ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C +ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C +ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O +ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N +ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H +ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C +ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C +ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C +ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O +ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N +ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H +ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H +ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C +ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O +ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N +ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H +ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C +ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C +ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C +ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C +ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C +ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C +ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O +ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N +ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H +ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C +ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C +ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C +ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C +ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N +ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H +ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C +ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N +ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H +ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H +ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N +ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H +ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H +ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C +ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O +ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N +ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H +ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C +ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C +ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C +ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C +ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C +ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C +ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O +ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N +ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C +ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C +ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C +ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C +ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C +ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O +ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N +ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H +ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C +ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C +ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C +ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C +ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C +ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N +ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H +ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H +ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H +ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C +ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O +ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N +ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H +ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C +ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C +ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C +ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C +ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C +ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N +ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H +ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H +ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H +ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C +ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O +ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N +ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H +ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C +ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C +ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C +ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C +ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C +ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O +ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N +ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H +ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C +ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C +ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C +ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C +ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C +ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C +ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C +ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C +ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C +ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O +ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N +ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H +ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C +ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C +ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C +ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C +ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O +ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O +ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C +ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O +ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N +ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H +ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C +ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C +ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C +ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O +ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N +ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H +ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C +ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C +ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C +ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O +ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N +ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H +ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C +ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C +ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C +ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C +ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C +ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O +ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N +ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H +ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C +ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C +ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C +ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C +ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C +ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N +ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H +ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H +ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H +ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C +ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O +ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N +ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H +ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C +ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C +ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O +ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H +ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C +ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O +ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N +ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H +ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C +ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C +ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C +ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C +ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C +ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C +ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O +ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N +ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H +ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C +ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C +ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C +ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C +ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C +ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N +ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H +ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H +ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H +ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C +ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O +ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N +ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H +ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C +ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C +ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C +ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O +ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N +ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H +ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C +ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C +ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C +ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O +ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N +ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H +ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C +ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C +ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O +ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H +ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C +ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O +ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N +ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H +ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C +ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C +ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O +ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H +ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C +ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O +ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N +ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H +ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C +ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C +ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O +ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H +ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C +ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C +ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O +ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N +ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H +ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C +ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C +ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C +ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C +ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O +ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O +ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C +ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O +ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N +ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H +ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C +ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C +ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C +ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C +ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C +ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N +ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H +ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H +ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H +ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C +ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O +ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N +ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H +ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C +ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C +ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C +ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C +ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C +ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C +ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C +ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C +ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C +ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O +ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N +ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C +ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C +ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C +ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C +ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C +ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O +ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N +ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H +ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C +ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C +ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C +ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O +ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O +ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C +ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O +ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N +ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H +ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C +ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C +ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O +ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N +ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H +ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C +ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C +ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C +ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C +ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C +ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C +ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C +ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C +ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C +ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O +ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N +ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H +ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C +ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C +ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C +ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C +ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C +ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C +ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C +ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N +ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H +ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C +ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C +ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C +ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C +ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O +ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N +ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H +ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C +ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C +ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C +ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C +ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C +ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C +ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O +ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N +ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H +ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C +ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C +ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O +ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N +ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H +ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C +ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C +ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C +ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C +ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O +ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O +ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C +ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O +ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N +ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H +ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C +ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C +ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C +ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C +ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O +ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N +ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H +ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H +ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C +ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O +ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N +ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H +ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C +ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C +ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C +ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C +ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C +ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C +ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O +ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N +ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H +ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C +ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C +ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C +ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C +ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C +ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O +ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N +ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H +ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C +ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C +ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S +ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C +ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O +ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N +ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H +ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C +ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C +ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C +ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C +ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C +ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C +ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C +ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N +ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H +ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C +ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C +ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C +ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C +ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O +ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N +ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H +ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C +ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C +ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C +ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C +ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O +ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N +ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H +ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H +ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C +ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O +ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N +ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H +ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C +ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C +ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C +ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O +ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N +ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H +ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C +ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C +ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O +ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N +ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H +ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C +ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C +ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O +ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H +ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C +ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C +ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O +ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N +ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H +ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C +ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C +ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O +ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H +ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C +ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C +ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O +ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N +ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C +ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C +ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C +ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C +ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C +ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O +ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N +ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H +ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C +ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C +ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C +ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C +ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C +ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C +ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C +ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N +ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H +ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C +ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C +ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C +ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C +ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O +ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N +ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H +ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C +ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C +ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C +ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O +ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N +ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H +ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H +ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C +ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O +ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N +ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H +ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C +ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C +ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C +ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C +ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C +ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C +ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O +ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N +ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H +ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C +ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C +ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C +ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C +ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C +ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C +ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C +ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C +ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C +ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O +ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N +ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C +ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C +ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C +ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C +ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C +ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O +ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N +ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H +ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C +ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C +ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C +ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C +ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C +ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O +ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N +ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H +ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C +ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C +ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C +ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C +ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C +ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C +ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O +ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N +ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H +ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C +ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C +ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O +ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H +ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C +ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O +ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N +ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H +ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C +ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C +ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C +ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C +ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C +ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C +ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O +ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N +ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H +ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C +ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C +ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C +ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C +ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C +ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C +ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C +ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C +ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O +ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H +ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C +ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O +ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N +ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H +ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C +ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C +ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C +ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C +ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C +ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C +ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O +ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N +ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H +ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C +ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C +ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C +ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S +ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C +ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C +ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O +ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N +ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H +ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C +ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C +ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O +ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N +ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H +ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C +ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C +ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C +ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C +ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O +ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O +ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C +ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O +ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N +ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H +ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C +ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C +ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C +ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C +ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C +ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O +ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N +ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H +ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C +ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C +ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O +ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H +ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C +ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C +ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O +ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N +ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H +ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C +ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C +ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C +ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O +ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N +ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H +ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H +ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C +ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O +ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N +ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H +ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C +ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C +ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C +ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C +ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O +ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N +ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H +ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H +ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C +ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O +ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N +ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H +ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C +ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C +ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O +ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H +ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C +ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O +ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N +ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H +ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C +ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C +ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C +ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C +ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C +ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C +ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C +ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C +ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C +ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O +ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N +ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H +ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C +ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C +ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C +ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C +ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N +ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H +ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C +ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N +ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H +ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H +ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N +ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H +ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H +ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C +ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O +ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N +ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H +ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C +ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C +ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C +ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C +ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C +ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C +ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O +ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N +ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H +ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C +ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C +ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O +ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H +ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C +ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C +ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O +ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N +ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H +ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C +ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C +ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C +ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C +ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C +ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C +ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O +ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N +ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H +ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C +ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C +ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C +ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C +ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C +ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C +ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O +ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N +ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C +ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C +ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C +ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C +ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C +ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O +ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N +ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H +ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C +ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C +ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C +ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C +ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O +ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N +ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H +ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H +ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C +ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O +ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N +ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H +ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C +ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C +ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C +ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C +ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O +ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N +ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H +ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H +ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C +ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O +ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N +ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H +ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C +ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C +ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C +ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C +ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C +ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C +ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C +ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C +ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O +ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H +ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C +ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O +ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N +ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H +ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C +ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C +ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C +ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C +ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C +ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C +ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O +ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N +ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H +ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C +ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C +ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C +ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C +ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N +ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H +ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C +ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N +ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H +ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H +ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N +ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H +ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H +ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C +ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O +ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N +ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C +ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C +ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C +ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C +ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C +ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O +ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N +ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H +ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C +ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C +ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C +ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C +ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C +ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O +ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N +ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H +ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C +ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C +ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C +ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C +ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O +ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O +ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C +ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O +ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N +ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H +ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C +ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C +ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C +ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O +ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O +ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C +ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O +ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N +ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H +ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C +ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C +ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C +ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C +ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C +ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O +ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N +ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H +ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C +ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C +ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C +ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O +ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N +ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H +ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C +ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C +ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O +ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H +ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C +ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C +ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O +ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N +ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H +ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C +ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C +ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O +ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H +ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C +ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O +ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N +ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H +ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C +ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C +ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C +ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C +ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O +ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N +ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H +ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H +ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C +ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O +ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N +ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H +ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C +ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C +ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C +ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O +ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O +ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C +ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O +ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N +ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H +ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C +ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C +ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C +ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O +ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O +ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C +ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O +ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N +ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H +ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C +ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C +ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S +ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C +ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O +ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N +ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H +ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C +ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C +ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C +ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C +ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C +ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C +ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C +ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C +ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O +ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H +ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C +ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O +ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N +ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H +ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C +ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C +ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C +ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C +ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C +ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N +ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H +ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H +ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H +ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C +ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O +ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N +ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H +ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C +ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C +ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C +ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C +ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C +ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C +ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C +ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C +ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C +ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O +ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N +ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H +ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C +ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C +ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C +ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O +ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N +ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H +ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C +ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C +ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C +ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C +ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C +ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C +ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O +ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N +ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H +ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C +ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C +ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O +ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H +ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C +ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O +ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N +ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H +ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C +ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C +ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C +ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C +ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O +ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N +ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H +ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H +ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C +ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O +ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N +ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H +ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C +ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C +ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O +ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H +ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C +ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O +ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N +ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H +ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C +ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C +ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O +ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H +ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C +ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O +ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N +ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H +ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C +ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C +ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O +ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H +ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C +ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C +ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O +ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N +ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H +ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C +ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C +ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O +ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N +ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H +ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C +ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C +ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O +ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H +ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C +ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C +ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O +ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N +ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H +ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C +ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C +ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C +ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C +ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C +ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O +ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N +ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H +ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C +ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C +ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C +ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S +ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C +ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C +ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O +ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N +ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H +ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C +ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C +ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O +ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N +ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H +ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C +ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C +ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C +ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O +ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N +ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H +ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C +ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C +ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C +ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C +ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C +ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O +ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N +ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H +ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C +ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C +ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C +ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C +ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C +ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C +ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O +ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N +ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H +ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C +ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C +ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C +ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S +ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C +ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C +ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O +ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N +ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H +ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C +ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C +ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C +ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C +ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O +ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O +ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C +ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O +ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N +ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H +ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C +ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C +ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O +ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N +ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H +ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C +ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C +ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C +ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C +ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C +ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C +ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C +ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C +ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C +ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O +ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N +ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H +ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C +ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C +ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C +ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C +ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C +ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C +ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C +ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C +ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O +ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H +ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C +ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O +ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N +ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H +ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C +ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C +ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C +ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C +ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C +ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O +ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N +ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H +ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C +ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C +ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C +ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C +ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C +ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O +ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N +ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H +ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C +ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C +ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C +ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C +ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C +ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C +ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C +ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C +ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C +ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O +ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N +ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H +ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C +ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C +ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C +ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O +ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O +ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C +ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O +ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N +ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H +ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C +ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C +ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C +ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C +ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N +ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H +ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C +ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N +ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H +ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H +ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N +ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H +ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H +ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C +ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O +ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N +ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H +ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C +ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C +ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C +ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O +ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N +ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H +ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C +ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C +ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C +ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C +ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N +ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H +ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C +ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N +ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H +ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H +ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N +ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H +ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H +ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C +ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O +ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N +ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H +ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C +ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C +ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C +ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C +ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C +ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N +ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H +ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H +ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H +ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C +ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O +ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N +ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H +ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C +ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C +ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C +ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C +ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N +ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H +ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C +ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N +ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H +ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H +ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N +ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H +ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H +ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C +ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O +ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N +ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H +ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C +ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C +ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C +ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C +ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C +ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C +ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O +ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N +ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H +ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C +ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C +ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O +ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N +ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H +ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C +ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C +ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C +ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C +ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C +ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C +ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C +ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C +ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C +ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O +ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N +ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H +ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C +ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C +ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C +ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O +ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N +ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H +ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C +ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C +ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C +ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C +ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C +ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O +ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N +ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H +ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C +ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C +ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O +ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H +ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C +ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O +ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N +ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H +ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C +ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C +ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C +ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O +ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N +ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H +ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C +ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C +ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S +ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C +ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O +ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N +ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H +ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C +ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C +ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C +ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N +ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H +ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C +ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N +ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C +ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C +ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O +ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N +ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H +ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C +ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C +ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C +ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C +ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C +ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O +ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N +ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H +ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C +ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C +ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C +ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N +ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H +ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C +ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N +ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C +ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C +ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O +ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N +ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H +ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C +ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C +ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C +ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O +ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O +ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C +ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O +ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N +ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H +ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C +ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C +ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C +ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C +ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O +ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O +ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C +ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O +ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N +ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H +ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C +ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C +ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C +ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C +ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C +ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C +ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C +ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C +ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C +ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O +ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N +ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H +ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C +ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C +ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C +ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C +ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N +ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H +ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C +ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N +ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H +ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H +ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N +ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H +ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H +ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C +ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O +ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N +ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H +ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C +ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C +ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O +ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H +ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C +ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C +ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O +ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N +ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H +ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C +ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C +ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C +ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O +ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N +ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H +ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C +ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C +ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C +ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O +ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N +ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H +ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C +ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C +ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C +ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C +ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C +ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O +ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N +ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H +ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C +ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C +ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C +ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C +ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O +ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O +ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C +ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O +ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N +ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H +ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C +ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C +ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O +ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N +ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C +ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C +ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C +ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C +ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C +ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O +ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N +ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H +ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C +ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C +ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C +ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C +ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C +ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C +ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C +ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C +ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C +ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O +ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N +ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H +ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C +ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C +ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C +ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C +ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C +ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O +ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N +ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H +ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C +ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C +ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O +ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H +ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C +ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C +ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O +ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N +ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H +ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C +ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C +ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C +ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C +ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C +ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C +ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O +ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N +ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H +ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C +ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C +ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C +ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O +ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O +ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C +ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O +ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N +ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H +ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C +ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C +ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C +ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S +ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C +ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C +ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O +ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N +ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H +ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C +ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C +ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C +ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C +ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O +ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O +ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C +ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O +ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N +ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H +ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C +ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C +ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C +ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O +ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O +ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C +ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O +ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N +ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H +ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C +ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C +ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S +ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C +ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O +ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N +ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H +ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C +ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C +ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O +ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N +ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H +ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C +ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C +ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C +ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C +ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C +ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C +ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C +ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C +ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O +ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H +ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C +ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O +ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N +ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H +ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C +ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C +ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C +ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O +ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N +ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H +ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H +ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C +ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O +ENDMDL +MODEL 2 +REMARK original generated coordinate pdb file +ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N +ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H +ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C +ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C +ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C +ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C +ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O +ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O +ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C +ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O +ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N +ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H +ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C +ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C +ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C +ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S +ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C +ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C +ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O +ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N +ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H +ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C +ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C +ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C +ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C +ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C +ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O +ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N +ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H +ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C +ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C +ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C +ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O +ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O +ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C +ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O +ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N +ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H +ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C +ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C +ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C +ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O +ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N +ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H +ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H +ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C +ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O +ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N +ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H +ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C +ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C +ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C +ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C +ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C +ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C +ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O +ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N +ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H +ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C +ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C +ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C +ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C +ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N +ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H +ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C +ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N +ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H +ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H +ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N +ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H +ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H +ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C +ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O +ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N +ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H +ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C +ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C +ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O +ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N +ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H +ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C +ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C +ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C +ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C +ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C +ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N +ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H +ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H +ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H +ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C +ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O +ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N +ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H +ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C +ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C +ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O +ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H +ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C +ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O +ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N +ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H +ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C +ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C +ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O +ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N +ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H +ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C +ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C +ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C +ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C +ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O +ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N +ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H +ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H +ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C +ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O +ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N +ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H +ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C +ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C +ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O +ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N +ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H +ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C +ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C +ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C +ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C +ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C +ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C +ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C +ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C +ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O +ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H +ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C +ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O +ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N +ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H +ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C +ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C +ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C +ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C +ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C +ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C +ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C +ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C +ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O +ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H +ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C +ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O +ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N +ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H +ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C +ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C +ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C +ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C +ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C +ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O +ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N +ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H +ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C +ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C +ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C +ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C +ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O +ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O +ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C +ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O +ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N +ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H +ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C +ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C +ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C +ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S +ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C +ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C +ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O +ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N +ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H +ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C +ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C +ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O +ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H +ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C +ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C +ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O +ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N +ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H +ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C +ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C +ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C +ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C +ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C +ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O +ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N +ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H +ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C +ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C +ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O +ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N +ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H +ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C +ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C +ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O +ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H +ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C +ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O +ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N +ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C +ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C +ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C +ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C +ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C +ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O +ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N +ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C +ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C +ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C +ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C +ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C +ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O +ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N +ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H +ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C +ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C +ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C +ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C +ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O +ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N +ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H +ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H +ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C +ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O +ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N +ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H +ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C +ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C +ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O +ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H +ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C +ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C +ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O +ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N +ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H +ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C +ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C +ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C +ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C +ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C +ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C +ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O +ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N +ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H +ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C +ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C +ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C +ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O +ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N +ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H +ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H +ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C +ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O +ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N +ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H +ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C +ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C +ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C +ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C +ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C +ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C +ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O +ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N +ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H +ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C +ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C +ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C +ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C +ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C +ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C +ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O +ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N +ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H +ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C +ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C +ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C +ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C +ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C +ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O +ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N +ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H +ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C +ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C +ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C +ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O +ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O +ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C +ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O +ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N +ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H +ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C +ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C +ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O +ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H +ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C +ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C +ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O +ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N +ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H +ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C +ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C +ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O +ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N +ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H +ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C +ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C +ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O +ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H +ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C +ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O +ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N +ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H +ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C +ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C +ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O +ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H +ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C +ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O +ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N +ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H +ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C +ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C +ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C +ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O +ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N +ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H +ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H +ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C +ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O +ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N +ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H +ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C +ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C +ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C +ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C +ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C +ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C +ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C +ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C +ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C +ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O +ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N +ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H +ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C +ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C +ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C +ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O +ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N +ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H +ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C +ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C +ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C +ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C +ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C +ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O +ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N +ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H +ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C +ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C +ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O +ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N +ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H +ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C +ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C +ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C +ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O +ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N +ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H +ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C +ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C +ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C +ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O +ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N +ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C +ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C +ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C +ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C +ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C +ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O +ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N +ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H +ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C +ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C +ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C +ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N +ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H +ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C +ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N +ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C +ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C +ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O +ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N +ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H +ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C +ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C +ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O +ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H +ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C +ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O +ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N +ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C +ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C +ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C +ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C +ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C +ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O +ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N +ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H +ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C +ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C +ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C +ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C +ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C +ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C +ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C +ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C +ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C +ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O +ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N +ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H +ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C +ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C +ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C +ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C +ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C +ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C +ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C +ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C +ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C +ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O +ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N +ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H +ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C +ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C +ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C +ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C +ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C +ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O +ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N +ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H +ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C +ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C +ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C +ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C +ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C +ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C +ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O +ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N +ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H +ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C +ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C +ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C +ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N +ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H +ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C +ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N +ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C +ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C +ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O +ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N +ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H +ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C +ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C +ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C +ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C +ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N +ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H +ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C +ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N +ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H +ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H +ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N +ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H +ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H +ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C +ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O +ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N +ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H +ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C +ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C +ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C +ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C +ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C +ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C +ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C +ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C +ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O +ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H +ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C +ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O +ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N +ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H +ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C +ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C +ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C +ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C +ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C +ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C +ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C +ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C +ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O +ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H +ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C +ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O +ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N +ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H +ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C +ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C +ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C +ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C +ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O +ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N +ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H +ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H +ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C +ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O +ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N +ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H +ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C +ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C +ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C +ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C +ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N +ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H +ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C +ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N +ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H +ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H +ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N +ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H +ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H +ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C +ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O +ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N +ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H +ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C +ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C +ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C +ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C +ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O +ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N +ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H +ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H +ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C +ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O +ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N +ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H +ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C +ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C +ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C +ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C +ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C +ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C +ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O +ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N +ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H +ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C +ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C +ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O +ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H +ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C +ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O +ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N +ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H +ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C +ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C +ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O +ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H +ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C +ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O +ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N +ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H +ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C +ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C +ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O +ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H +ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C +ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C +ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O +ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N +ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H +ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C +ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C +ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C +ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C +ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C +ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C +ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C +ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C +ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O +ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H +ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C +ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O +ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N +ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H +ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C +ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C +ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C +ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C +ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N +ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H +ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C +ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N +ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H +ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H +ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N +ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H +ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H +ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C +ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O +ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N +ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H +ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C +ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C +ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C +ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O +ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O +ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C +ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O +ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N +ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H +ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C +ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C +ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C +ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C +ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C +ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C +ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O +ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N +ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H +ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C +ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C +ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C +ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C +ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N +ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H +ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C +ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N +ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H +ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H +ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N +ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H +ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H +ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C +ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O +ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N +ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H +ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C +ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C +ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C +ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C +ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C +ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N +ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H +ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H +ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H +ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C +ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O +ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N +ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H +ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C +ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C +ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O +ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N +ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H +ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C +ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C +ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C +ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C +ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C +ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O +ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N +ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H +ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C +ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C +ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C +ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C +ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C +ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C +ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C +ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C +ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O +ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H +ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C +ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O +ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N +ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H +ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C +ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C +ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C +ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C +ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C +ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O +ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N +ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C +ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C +ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C +ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C +ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C +ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O +ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N +ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H +ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C +ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C +ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C +ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C +ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C +ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C +ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C +ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C +ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O +ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H +ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C +ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O +ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N +ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H +ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C +ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C +ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O +ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H +ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C +ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C +ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O +ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N +ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H +ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C +ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C +ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C +ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C +ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O +ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N +ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H +ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H +ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C +ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O +ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N +ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H +ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C +ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C +ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O +ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N +ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H +ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C +ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C +ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C +ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C +ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C +ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N +ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H +ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H +ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H +ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C +ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O +ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N +ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H +ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C +ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C +ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C +ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C +ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C +ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C +ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C +ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N +ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H +ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C +ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C +ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C +ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C +ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O +ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N +ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H +ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C +ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C +ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C +ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C +ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O +ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O +ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C +ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O +ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N +ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H +ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C +ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C +ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O +ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N +ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H +ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C +ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C +ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C +ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C +ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O +ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O +ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C +ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O +ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N +ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H +ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C +ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C +ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C +ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C +ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C +ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C +ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O +ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N +ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H +ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C +ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C +ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O +ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N +ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H +ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C +ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C +ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O +ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H +ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C +ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C +ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O +ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N +ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H +ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C +ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C +ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C +ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O +ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O +ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C +ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O +ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N +ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H +ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C +ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C +ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C +ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C +ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C +ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C +ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O +ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N +ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H +ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C +ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C +ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C +ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C +ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C +ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O +ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N +ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H +ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C +ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C +ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O +ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H +ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C +ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O +ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N +ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H +ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C +ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C +ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C +ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C +ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C +ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C +ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O +ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N +ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C +ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C +ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C +ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C +ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C +ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O +ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N +ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H +ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C +ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C +ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C +ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N +ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H +ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C +ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N +ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C +ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C +ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O +ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N +ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H +ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C +ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C +ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O +ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N +ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C +ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C +ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C +ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C +ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C +ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O +ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N +ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H +ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C +ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C +ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C +ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O +ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N +ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H +ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H +ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C +ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O +ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N +ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H +ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C +ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C +ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C +ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C +ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C +ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O +ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N +ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H +ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C +ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C +ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O +ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H +ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C +ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C +ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O +ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N +ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H +ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C +ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C +ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C +ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C +ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C +ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O +ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N +ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H +ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C +ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C +ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C +ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C +ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N +ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H +ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C +ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N +ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H +ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H +ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N +ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H +ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H +ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C +ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O +ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N +ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H +ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C +ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C +ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C +ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O +ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N +ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H +ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C +ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C +ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C +ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O +ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N +ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H +ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H +ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C +ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O +ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N +ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H +ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C +ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C +ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C +ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C +ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C +ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C +ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O +ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N +ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H +ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C +ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C +ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C +ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O +ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N +ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H +ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C +ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C +ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C +ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O +ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N +ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H +ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C +ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C +ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C +ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C +ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C +ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C +ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O +ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N +ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H +ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C +ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C +ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O +ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H +ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C +ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C +ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O +ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N +ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H +ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C +ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C +ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C +ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C +ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O +ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O +ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C +ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O +ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N +ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H +ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C +ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C +ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O +ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H +ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C +ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O +ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N +ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H +ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C +ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C +ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C +ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O +ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O +ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C +ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O +ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N +ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H +ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C +ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C +ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C +ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C +ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C +ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N +ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H +ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H +ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H +ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C +ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O +ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N +ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H +ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C +ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C +ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C +ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C +ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C +ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C +ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C +ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C +ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C +ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O +ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N +ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H +ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C +ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C +ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C +ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C +ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C +ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C +ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C +ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C +ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C +ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O +ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N +ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H +ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C +ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C +ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C +ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C +ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C +ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C +ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O +ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N +ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H +ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C +ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C +ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C +ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O +ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N +ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H +ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H +ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C +ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O +ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N +ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H +ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C +ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C +ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O +ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N +ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H +ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C +ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C +ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O +ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H +ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C +ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O +ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N +ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H +ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C +ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C +ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C +ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O +ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N +ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H +ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H +ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C +ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O +ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N +ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H +ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C +ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C +ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C +ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C +ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C +ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C +ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C +ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N +ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H +ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C +ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C +ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C +ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C +ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O +ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N +ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H +ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C +ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C +ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C +ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C +ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O +ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O +ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C +ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O +ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N +ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H +ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C +ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C +ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O +ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N +ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H +ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C +ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C +ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C +ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C +ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C +ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C +ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O +ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N +ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H +ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C +ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C +ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C +ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C +ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C +ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C +ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O +ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N +ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H +ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C +ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C +ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O +ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N +ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H +ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C +ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C +ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C +ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C +ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C +ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C +ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O +ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N +ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H +ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C +ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C +ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C +ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O +ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N +ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H +ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C +ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C +ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C +ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C +ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C +ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C +ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C +ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C +ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O +ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H +ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C +ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O +ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N +ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H +ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C +ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C +ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C +ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O +ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N +ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H +ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C +ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C +ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C +ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C +ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O +ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O +ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C +ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O +ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N +ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H +ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C +ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C +ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C +ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C +ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C +ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C +ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O +ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N +ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H +ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C +ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C +ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C +ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O +ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N +ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H +ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C +ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C +ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C +ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C +ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N +ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H +ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C +ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N +ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H +ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H +ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N +ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H +ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H +ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C +ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O +ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N +ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C +ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C +ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C +ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C +ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C +ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O +ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N +ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H +ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C +ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C +ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C +ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O +ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O +ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C +ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O +ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N +ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H +ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C +ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C +ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C +ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O +ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O +ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C +ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O +ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N +ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H +ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C +ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C +ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O +ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H +ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C +ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O +ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N +ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H +ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C +ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C +ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C +ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C +ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C +ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C +ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O +ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N +ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H +ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C +ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C +ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C +ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C +ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O +ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O +ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C +ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O +ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N +ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C +ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C +ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C +ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C +ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C +ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O +ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N +ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H +ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C +ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C +ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C +ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C +ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C +ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C +ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C +ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C +ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C +ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O +ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N +ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H +ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C +ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C +ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C +ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C +ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C +ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C +ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C +ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C +ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C +ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O +ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N +ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H +ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C +ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C +ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C +ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O +ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O +ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C +ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O +ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N +ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H +ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C +ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C +ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O +ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H +ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C +ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O +ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N +ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H +ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C +ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C +ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C +ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C +ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C +ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C +ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O +ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N +ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H +ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C +ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C +ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C +ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C +ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C +ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O +ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N +ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H +ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C +ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C +ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C +ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C +ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C +ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N +ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H +ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H +ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H +ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C +ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O +ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N +ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H +ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C +ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C +ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C +ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C +ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O +ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N +ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H +ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H +ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C +ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O +ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N +ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H +ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C +ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C +ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O +ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H +ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C +ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C +ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O +ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N +ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H +ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C +ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C +ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C +ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N +ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H +ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C +ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N +ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C +ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C +ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O +ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N +ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H +ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C +ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C +ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C +ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C +ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C +ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O +ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N +ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C +ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C +ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C +ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C +ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C +ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O +ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N +ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H +ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C +ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C +ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C +ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O +ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N +ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H +ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H +ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C +ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O +ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N +ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H +ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C +ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C +ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C +ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C +ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C +ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C +ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O +ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N +ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H +ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C +ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C +ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C +ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C +ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C +ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C +ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C +ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C +ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C +ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O +ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N +ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H +ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C +ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C +ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O +ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H +ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C +ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O +ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N +ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H +ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C +ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C +ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C +ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C +ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C +ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C +ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O +ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N +ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H +ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C +ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C +ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C +ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C +ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O +ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N +ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H +ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H +ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C +ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O +ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N +ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H +ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C +ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C +ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C +ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C +ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C +ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C +ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O +ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N +ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H +ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C +ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C +ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S +ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C +ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O +ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N +ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H +ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C +ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C +ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O +ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N +ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H +ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C +ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C +ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C +ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O +ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N +ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H +ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C +ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C +ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O +ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H +ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C +ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O +ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N +ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H +ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C +ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C +ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C +ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C +ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C +ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O +ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N +ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H +ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C +ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C +ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O +ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N +ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H +ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C +ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C +ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O +ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N +ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H +ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C +ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C +ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O +ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H +ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C +ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O +ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N +ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H +ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C +ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C +ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C +ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S +ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C +ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C +ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O +ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N +ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H +ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C +ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C +ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C +ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C +ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C +ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C +ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O +ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N +ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H +ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C +ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C +ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C +ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C +ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C +ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C +ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O +ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N +ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H +ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C +ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C +ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O +ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N +ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H +ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C +ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C +ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O +ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N +ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H +ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C +ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C +ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C +ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C +ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C +ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C +ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O +ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N +ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H +ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C +ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C +ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C +ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O +ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O +ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C +ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O +ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N +ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H +ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C +ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C +ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C +ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N +ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H +ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C +ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N +ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C +ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C +ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O +ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N +ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H +ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C +ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C +ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O +ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H +ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C +ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O +ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N +ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H +ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C +ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C +ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C +ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C +ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C +ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C +ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O +ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N +ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H +ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C +ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C +ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C +ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C +ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C +ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C +ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C +ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C +ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O +ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H +ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C +ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O +ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N +ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H +ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C +ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C +ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O +ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H +ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C +ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C +ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O +ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N +ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H +ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C +ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C +ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O +ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N +ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H +ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C +ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C +ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O +ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H +ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C +ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O +ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N +ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H +ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C +ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C +ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C +ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C +ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C +ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C +ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O +ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N +ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H +ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C +ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C +ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C +ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C +ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C +ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C +ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C +ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N +ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H +ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C +ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C +ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C +ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C +ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O +ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N +ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H +ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C +ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C +ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C +ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C +ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C +ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C +ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C +ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C +ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O +ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H +ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C +ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O +ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N +ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H +ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C +ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C +ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O +ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H +ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C +ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C +ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O +ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N +ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C +ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C +ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C +ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C +ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C +ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O +ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N +ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H +ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C +ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C +ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C +ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C +ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C +ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C +ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O +ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N +ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H +ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C +ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C +ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C +ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C +ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N +ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H +ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C +ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N +ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H +ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H +ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N +ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H +ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H +ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C +ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O +ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N +ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H +ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C +ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C +ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C +ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C +ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N +ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H +ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C +ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N +ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H +ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H +ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N +ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H +ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H +ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C +ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O +ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N +ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H +ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C +ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C +ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C +ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C +ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O +ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O +ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C +ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O +ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N +ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H +ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C +ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C +ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C +ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C +ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C +ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C +ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C +ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N +ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H +ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C +ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C +ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C +ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C +ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O +ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N +ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H +ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C +ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C +ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C +ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C +ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C +ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C +ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C +ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C +ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O +ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H +ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C +ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O +ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N +ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H +ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C +ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C +ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C +ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C +ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C +ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C +ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C +ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C +ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O +ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H +ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C +ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O +ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N +ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H +ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C +ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C +ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C +ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C +ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O +ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O +ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C +ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O +ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N +ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H +ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C +ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C +ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C +ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C +ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C +ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O +ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N +ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H +ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C +ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C +ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C +ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C +ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C +ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C +ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O +ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N +ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H +ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C +ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C +ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C +ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C +ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C +ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C +ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O +ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N +ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H +ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C +ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C +ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C +ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C +ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C +ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O +ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N +ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H +ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C +ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C +ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C +ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C +ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N +ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H +ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C +ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N +ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H +ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H +ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N +ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H +ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H +ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C +ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O +ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N +ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H +ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C +ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C +ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C +ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C +ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C +ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O +ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N +ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H +ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C +ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C +ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C +ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C +ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O +ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O +ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C +ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O +ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N +ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H +ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C +ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C +ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C +ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C +ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C +ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C +ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O +ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N +ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H +ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C +ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C +ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C +ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O +ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N +ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H +ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H +ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C +ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O +ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N +ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H +ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C +ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C +ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O +ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N +ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H +ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C +ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C +ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C +ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C +ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O +ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N +ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H +ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H +ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C +ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O +ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N +ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H +ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C +ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C +ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C +ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O +ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O +ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C +ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O +ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N +ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H +ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C +ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C +ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C +ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C +ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C +ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C +ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O +ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N +ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H +ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C +ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C +ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C +ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C +ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C +ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N +ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H +ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H +ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H +ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C +ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O +ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N +ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H +ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C +ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C +ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C +ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S +ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C +ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C +ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O +ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N +ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H +ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C +ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C +ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C +ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O +ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O +ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C +ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O +ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N +ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H +ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C +ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C +ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S +ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C +ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O +ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N +ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H +ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C +ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C +ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C +ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C +ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C +ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N +ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H +ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H +ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H +ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C +ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O +ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N +ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H +ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C +ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C +ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C +ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C +ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O +ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O +ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C +ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O +ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N +ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H +ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C +ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C +ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C +ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C +ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C +ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C +ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C +ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C +ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O +ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H +ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C +ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O +ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N +ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H +ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C +ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C +ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C +ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O +ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N +ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H +ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H +ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C +ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O +ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N +ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H +ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C +ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C +ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C +ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C +ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C +ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C +ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C +ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C +ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O +ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H +ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C +ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O +ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N +ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H +ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C +ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C +ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C +ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O +ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O +ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C +ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O +ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N +ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H +ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C +ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C +ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C +ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C +ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C +ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N +ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H +ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H +ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H +ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C +ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O +ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N +ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H +ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C +ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C +ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O +ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H +ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C +ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O +ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N +ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H +ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C +ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C +ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C +ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C +ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C +ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C +ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O +ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N +ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H +ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C +ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C +ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C +ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C +ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C +ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O +ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N +ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H +ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C +ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C +ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C +ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O +ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O +ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C +ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O +ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N +ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H +ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C +ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C +ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O +ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H +ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C +ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O +ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N +ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H +ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C +ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C +ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O +ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N +ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H +ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C +ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C +ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O +ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H +ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C +ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C +ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O +ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N +ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H +ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C +ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C +ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O +ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H +ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C +ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C +ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O +ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N +ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H +ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C +ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C +ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C +ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O +ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N +ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H +ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H +ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C +ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O +ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N +ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H +ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C +ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C +ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C +ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C +ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C +ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C +ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O +ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N +ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H +ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C +ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C +ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C +ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C +ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N +ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H +ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C +ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N +ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H +ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H +ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N +ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H +ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H +ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C +ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O +ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N +ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H +ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C +ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C +ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C +ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C +ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C +ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C +ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O +ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N +ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C +ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C +ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C +ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C +ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C +ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O +ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N +ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H +ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C +ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C +ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C +ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C +ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C +ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N +ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H +ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H +ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H +ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C +ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O +ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N +ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H +ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C +ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C +ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C +ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C +ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C +ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N +ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H +ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H +ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H +ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C +ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O +ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N +ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H +ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C +ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C +ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C +ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C +ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C +ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O +ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N +ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H +ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C +ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C +ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C +ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C +ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C +ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C +ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C +ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C +ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C +ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O +ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N +ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H +ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C +ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C +ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C +ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C +ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O +ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O +ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C +ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O +ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N +ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H +ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C +ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C +ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C +ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O +ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N +ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H +ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C +ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C +ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C +ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O +ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N +ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H +ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C +ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C +ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C +ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C +ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C +ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O +ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N +ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H +ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C +ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C +ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C +ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C +ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C +ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N +ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H +ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H +ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H +ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C +ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O +ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N +ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H +ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C +ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C +ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O +ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H +ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C +ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O +ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N +ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H +ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C +ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C +ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C +ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C +ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C +ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C +ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O +ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N +ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H +ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C +ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C +ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C +ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C +ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C +ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N +ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H +ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H +ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H +ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C +ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O +ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N +ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H +ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C +ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C +ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C +ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O +ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N +ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H +ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C +ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C +ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C +ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O +ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N +ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H +ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C +ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C +ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O +ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H +ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C +ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O +ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N +ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H +ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C +ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C +ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O +ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H +ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C +ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O +ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N +ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H +ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C +ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C +ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O +ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H +ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C +ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C +ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O +ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N +ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H +ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C +ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C +ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C +ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C +ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O +ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O +ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C +ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O +ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N +ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H +ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C +ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C +ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C +ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C +ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C +ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N +ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H +ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H +ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H +ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C +ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O +ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N +ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H +ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C +ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C +ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C +ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C +ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C +ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C +ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C +ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C +ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C +ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O +ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N +ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C +ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C +ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C +ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C +ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C +ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O +ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N +ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H +ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C +ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C +ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C +ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O +ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O +ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C +ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O +ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N +ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H +ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C +ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C +ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O +ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N +ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H +ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C +ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C +ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C +ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C +ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C +ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C +ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C +ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C +ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C +ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O +ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N +ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H +ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C +ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C +ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C +ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C +ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C +ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C +ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C +ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N +ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H +ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C +ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C +ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C +ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C +ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O +ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N +ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H +ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C +ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C +ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C +ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C +ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C +ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C +ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O +ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N +ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H +ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C +ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C +ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O +ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N +ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H +ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C +ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C +ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C +ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C +ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O +ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O +ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C +ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O +ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N +ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H +ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C +ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C +ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C +ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C +ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O +ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N +ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H +ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H +ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C +ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O +ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N +ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H +ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C +ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C +ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C +ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C +ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C +ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C +ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O +ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N +ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H +ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C +ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C +ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C +ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C +ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C +ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O +ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N +ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H +ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C +ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C +ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S +ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C +ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O +ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N +ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H +ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C +ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C +ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C +ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C +ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C +ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C +ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C +ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N +ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H +ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C +ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C +ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C +ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C +ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O +ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N +ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H +ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C +ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C +ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C +ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C +ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O +ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N +ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H +ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H +ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C +ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O +ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N +ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H +ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C +ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C +ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C +ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O +ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N +ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H +ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C +ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C +ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O +ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N +ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H +ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C +ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C +ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O +ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H +ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C +ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C +ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O +ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N +ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H +ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C +ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C +ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O +ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H +ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C +ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C +ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O +ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N +ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C +ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C +ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C +ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C +ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C +ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O +ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N +ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H +ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C +ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C +ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C +ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C +ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C +ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C +ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C +ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N +ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H +ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C +ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C +ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C +ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C +ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O +ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N +ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H +ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C +ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C +ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C +ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O +ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N +ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H +ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H +ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C +ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O +ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N +ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H +ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C +ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C +ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C +ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C +ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C +ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C +ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O +ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N +ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H +ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C +ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C +ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C +ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C +ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C +ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C +ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C +ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C +ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C +ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O +ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N +ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C +ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C +ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C +ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C +ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C +ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O +ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N +ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H +ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C +ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C +ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C +ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C +ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C +ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O +ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N +ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H +ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C +ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C +ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C +ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C +ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C +ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C +ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O +ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N +ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H +ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C +ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C +ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O +ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H +ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C +ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O +ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N +ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H +ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C +ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C +ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C +ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C +ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C +ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C +ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O +ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N +ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H +ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C +ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C +ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C +ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C +ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C +ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C +ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C +ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C +ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O +ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H +ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C +ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O +ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N +ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H +ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C +ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C +ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C +ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C +ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C +ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C +ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O +ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N +ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H +ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C +ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C +ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C +ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S +ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C +ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C +ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O +ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N +ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H +ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C +ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C +ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O +ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N +ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H +ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C +ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C +ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C +ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C +ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O +ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O +ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C +ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O +ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N +ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H +ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C +ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C +ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C +ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C +ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C +ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O +ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N +ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H +ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C +ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C +ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O +ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H +ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C +ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C +ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O +ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N +ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H +ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C +ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C +ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C +ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O +ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N +ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H +ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H +ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C +ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O +ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N +ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H +ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C +ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C +ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C +ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C +ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O +ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N +ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H +ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H +ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C +ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O +ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N +ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H +ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C +ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C +ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O +ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H +ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C +ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O +ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N +ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H +ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C +ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C +ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C +ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C +ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C +ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C +ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C +ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C +ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C +ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O +ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N +ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H +ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C +ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C +ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C +ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C +ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N +ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H +ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C +ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N +ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H +ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H +ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N +ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H +ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H +ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C +ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O +ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N +ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H +ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C +ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C +ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C +ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C +ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C +ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C +ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O +ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N +ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H +ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C +ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C +ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O +ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H +ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C +ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C +ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O +ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N +ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H +ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C +ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C +ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C +ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C +ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C +ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C +ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O +ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N +ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H +ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C +ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C +ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C +ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C +ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C +ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C +ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O +ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N +ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C +ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C +ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C +ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C +ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C +ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O +ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N +ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H +ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C +ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C +ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C +ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C +ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O +ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N +ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H +ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H +ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C +ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O +ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N +ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H +ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C +ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C +ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C +ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C +ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O +ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N +ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H +ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H +ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C +ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O +ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N +ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H +ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C +ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C +ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C +ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C +ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C +ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C +ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C +ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C +ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O +ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H +ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C +ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O +ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N +ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H +ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C +ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C +ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C +ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C +ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C +ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C +ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O +ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N +ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H +ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C +ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C +ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C +ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C +ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N +ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H +ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C +ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N +ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H +ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H +ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N +ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H +ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H +ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C +ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O +ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N +ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C +ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C +ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C +ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C +ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C +ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O +ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N +ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H +ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C +ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C +ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C +ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C +ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C +ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O +ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N +ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H +ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C +ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C +ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C +ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C +ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O +ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O +ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C +ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O +ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N +ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H +ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C +ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C +ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C +ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O +ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O +ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C +ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O +ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N +ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H +ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C +ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C +ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C +ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C +ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C +ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O +ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N +ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H +ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C +ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C +ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C +ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O +ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N +ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H +ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C +ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C +ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O +ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H +ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C +ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C +ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O +ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N +ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H +ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C +ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C +ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O +ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H +ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C +ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O +ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N +ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H +ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C +ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C +ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C +ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C +ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O +ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N +ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H +ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H +ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C +ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O +ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N +ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H +ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C +ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C +ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C +ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O +ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O +ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C +ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O +ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N +ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H +ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C +ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C +ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C +ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O +ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O +ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C +ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O +ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N +ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H +ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C +ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C +ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S +ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C +ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O +ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N +ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H +ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C +ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C +ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C +ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C +ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C +ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C +ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C +ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C +ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O +ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H +ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C +ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O +ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N +ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H +ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C +ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C +ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C +ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C +ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C +ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N +ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H +ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H +ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H +ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C +ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O +ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N +ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H +ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C +ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C +ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C +ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C +ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C +ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C +ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C +ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C +ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C +ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O +ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N +ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H +ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C +ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C +ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C +ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O +ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N +ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H +ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C +ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C +ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C +ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C +ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C +ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C +ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O +ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N +ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H +ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C +ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C +ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O +ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H +ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C +ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O +ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N +ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H +ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C +ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C +ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C +ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C +ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O +ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N +ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H +ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H +ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C +ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O +ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N +ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H +ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C +ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C +ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O +ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H +ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C +ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O +ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N +ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H +ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C +ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C +ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O +ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H +ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C +ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O +ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N +ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H +ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C +ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C +ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O +ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H +ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C +ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C +ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O +ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N +ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H +ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C +ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C +ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O +ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N +ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H +ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C +ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C +ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O +ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H +ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C +ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C +ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O +ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N +ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H +ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C +ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C +ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C +ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C +ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C +ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O +ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N +ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H +ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C +ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C +ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C +ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S +ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C +ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C +ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O +ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N +ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H +ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C +ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C +ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O +ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N +ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H +ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C +ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C +ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C +ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O +ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N +ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H +ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C +ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C +ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C +ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C +ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C +ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O +ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N +ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H +ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C +ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C +ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C +ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C +ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C +ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C +ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O +ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N +ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H +ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C +ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C +ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C +ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S +ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C +ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C +ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O +ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N +ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H +ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C +ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C +ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C +ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C +ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O +ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O +ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C +ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O +ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N +ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H +ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C +ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C +ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O +ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N +ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H +ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C +ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C +ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C +ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C +ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C +ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C +ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C +ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C +ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C +ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O +ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N +ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H +ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C +ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C +ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C +ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C +ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C +ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C +ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C +ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C +ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O +ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H +ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C +ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O +ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N +ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H +ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C +ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C +ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C +ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C +ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C +ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O +ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N +ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H +ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C +ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C +ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C +ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C +ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C +ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O +ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N +ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H +ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C +ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C +ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C +ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C +ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C +ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C +ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C +ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C +ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C +ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O +ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N +ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H +ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C +ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C +ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C +ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O +ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O +ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C +ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O +ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N +ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H +ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C +ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C +ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C +ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C +ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N +ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H +ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C +ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N +ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H +ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H +ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N +ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H +ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H +ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C +ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O +ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N +ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H +ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C +ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C +ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C +ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O +ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N +ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H +ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C +ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C +ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C +ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C +ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N +ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H +ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C +ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N +ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H +ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H +ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N +ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H +ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H +ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C +ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O +ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N +ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H +ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C +ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C +ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C +ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C +ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C +ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N +ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H +ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H +ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H +ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C +ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O +ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N +ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H +ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C +ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C +ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C +ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C +ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N +ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H +ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C +ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N +ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H +ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H +ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N +ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H +ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H +ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C +ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O +ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N +ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H +ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C +ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C +ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C +ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C +ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C +ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C +ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O +ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N +ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H +ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C +ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C +ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O +ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N +ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H +ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C +ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C +ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C +ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C +ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C +ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C +ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C +ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C +ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C +ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O +ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N +ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H +ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C +ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C +ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C +ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O +ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N +ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H +ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C +ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C +ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C +ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C +ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C +ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O +ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N +ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H +ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C +ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C +ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O +ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H +ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C +ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O +ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N +ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H +ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C +ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C +ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C +ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O +ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N +ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H +ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C +ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C +ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S +ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C +ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O +ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N +ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H +ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C +ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C +ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C +ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N +ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H +ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C +ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N +ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C +ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C +ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O +ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N +ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H +ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C +ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C +ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C +ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C +ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C +ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O +ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N +ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H +ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C +ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C +ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C +ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N +ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H +ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C +ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N +ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C +ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C +ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O +ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N +ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H +ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C +ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C +ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C +ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O +ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O +ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C +ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O +ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N +ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H +ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C +ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C +ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C +ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C +ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O +ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O +ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C +ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O +ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N +ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H +ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C +ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C +ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C +ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C +ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C +ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C +ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C +ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C +ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C +ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O +ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N +ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H +ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C +ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C +ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C +ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C +ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N +ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H +ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C +ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N +ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H +ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H +ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N +ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H +ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H +ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C +ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O +ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N +ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H +ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C +ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C +ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O +ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H +ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C +ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C +ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O +ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N +ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H +ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C +ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C +ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C +ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O +ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N +ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H +ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C +ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C +ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C +ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O +ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N +ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H +ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C +ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C +ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C +ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C +ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C +ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O +ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N +ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H +ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C +ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C +ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C +ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C +ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O +ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O +ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C +ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O +ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N +ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H +ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C +ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C +ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O +ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N +ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C +ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C +ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C +ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C +ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C +ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O +ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N +ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H +ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C +ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C +ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C +ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C +ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C +ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C +ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C +ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C +ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C +ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O +ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N +ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H +ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C +ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C +ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C +ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C +ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C +ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O +ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N +ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H +ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C +ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C +ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O +ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H +ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C +ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C +ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O +ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N +ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H +ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C +ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C +ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C +ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C +ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C +ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C +ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O +ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N +ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H +ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C +ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C +ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C +ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O +ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O +ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C +ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O +ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N +ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H +ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C +ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C +ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C +ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S +ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C +ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C +ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O +ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N +ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H +ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C +ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C +ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C +ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C +ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O +ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O +ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C +ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O +ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N +ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H +ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C +ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C +ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C +ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O +ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O +ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C +ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O +ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N +ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H +ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C +ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C +ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S +ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C +ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O +ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N +ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H +ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C +ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C +ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O +ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N +ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H +ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C +ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C +ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C +ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C +ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C +ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C +ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C +ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C +ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O +ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H +ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C +ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O +ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N +ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H +ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C +ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C +ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C +ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O +ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N +ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H +ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H +ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C +ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O +ENDMDL diff --git a/examples/usage/BACE_4_rec_parm.prm b/examples/usage/BACE_4_rec_parm.prm new file mode 100644 index 0000000..be856e5 --- /dev/null +++ b/examples/usage/BACE_4_rec_parm.prm @@ -0,0 +1,6718 @@ +* ... +* Parameter File for CHARMm version 22.0 +* ... +* Includes parameters for both polar and all hydrogen topology files +* ... +* Copyright (c) 1986, 1987, 1988, 1989, 1990, 1991, 1992, 1993 +* Molecular Simulations Incorporated +* Confidential and Proprietary: All Rights Reserved +* ... +* Dihedrals are presumed to be automatically generated and +* should be totally specified, i.e. amide bonds have 4 dihedral +* terms and ethane has 9 dihedral terms. Check the CHARMm PSF if necessary. +* This is not to be confused with multiple periodicity. +* This file can be used only with release CHARMm22. Older CHARMm +* versions do not have proper array sizes and will stop with error. +* ... +* Latest modification: $Date: 2004/05/30 18:43:35 $ +* ... +* +BOND ! BONDS; bonds +B CT 200.0 1.58 +B N 200.0 1.42 +B OE 200.0 1.36 +B OT 200.0 1.325 +B SE 400.0 1.79 +B XCL 200.0 1.74 +B XF 200.0 1.414 +C C 282.0 1.515 +C C5R 450.0 1.38 +C C6R 386.0 1.460 +C C6RE 386.0 1.444 +C C6RP 386.0 1.500 +C C6RQ 386.0 1.500 +C CF1 242.0 1.510 +C CF2 242.0 1.510 +C CF3 242.0 1.503 +C CH1E 279.0 1.515 +C CH2E 279.0 1.515 +C CH3E 279.0 1.515 +C CR1E 450.0 1.38 +CH2E CR1E 250.0 1.45 +SH1E FE 500.0 2.38 +C CR56 386.0 1.419 +C CR66 386.0 1.419 +C CT 242.0 1.530 +C CT3 242.0 1.515 +C CT4 242.0 1.515 +C CUA1 282.0 1.476 +C CUA2 282.0 1.476 +C CUA3 282.0 1.476 +C CUY1 325.0 1.510 +C CUY2 325.0 1.510 +C MSI 300.0 1.93 +C N 620.0 1.270 +C N5R 420.0 1.37 +C N6R 420.0 1.38 +C NC 400.0 1.33 +C NC2 463.0 1.365 +C NO2 400.0 1.380 +C NP 350.0 1.345 +C NT 400.0 1.416 +C NX 350.0 1.350 +C O 640.0 1.225 +C OA 845.0 1.207 +C OAC 640.0 1.193 +C OC 455.0 1.23 +C OE 375.0 1.354 +C OK 690.0 1.193 +C OS 350.0 1.319 +C OT 355.0 1.352 +C PT 400.0 1.780 +C PUA1 540.0 1.750 +C S5R 350.0 1.82 +C S6R 350.0 1.82 +C SE 300.0 1.765 +C SK 570.0 1.68 +C SO1 226.0 1.82 +C SO2 226.0 1.82 +C SO3 226.0 1.82 +C XBR 185.0 1.97 +C XCL 453.0 1.77 +C XF 326.0 1.355 +C XI 300.0 2.10 +C3 CT3 242.0 1.515 +C3 CUA1 315.0 1.47 +C3 OK 640.0 1.225 +C4 CT4 260.0 1.510 +C4 CUA1 315.0 1.47 +C4 NP 350.0 1.375 +C4 NX 350.0 1.388 +C4 O 640.0 1.205 +C4 OK 640.0 1.205 +C5R C5R 450.0 1.400 +C5R C5RE 450.0 1.41 +C5R C5RP 450.0 1.39 +C5R C5RQ 450.0 1.39 +C5R CF1 345.0 1.510 +C5R CF2 345.0 1.500 +C5R CF3 345.0 1.495 +C5R CR55 450.0 1.410 +C5R CR56 450.0 1.448 +C5R CT 345.0 1.51 +C5R CT3 345.0 1.51 +C5R CT4 345.0 1.51 +C5R CUA1 325.0 1.49 +C5R CUA2 325.0 1.49 +C5R MSE 230.0 1.917 +C5R N5R 390.0 1.350 +C5R N5RP 390.0 1.347 +C5R NO2 414.0 1.46 +C5R NP 390.0 1.47 +C5R NR55 390.0 1.35 +C5R NR56 390.0 1.35 +C5R NT 390.0 1.47 +C5R O5R 365.0 1.36 +C5R OE 330.0 1.42 +C5R OK 765.0 1.22 +C5R OS 365.0 1.46 +C5R OT 450.0 1.38 +C5R S5R 350.0 1.71 +C5R SE 230.0 1.773 +C5R SO1 226.0 1.71 +C5R SO2 226.0 1.71 +C5R SO3 226.0 1.71 +C5R XBR 300.0 1.88 +C5R XCL 232.0 1.71 +C5R XF 380.0 1.33 +C5R XI 300.0 2.05 +C5RE C5RE 450.0 1.41 +C5RE N5R 390.0 1.36 +C5RP C 360.0 1.49 +C5RP C5RE 450.0 1.41 +C5RP C5RP 360.0 1.49 +C5RP C5RQ 450.0 1.41 +C5RP C6RP 450.0 1.48 +C5RP C6RQ 450.0 1.48 +C5RP CR55 450.0 1.41 +C5RP CR56 450.0 1.41 +C5RP CT 345.0 1.53 +C5RP CUA1 325.0 1.49 +C5RP CUA2 325.0 1.39 +C5RP N5R 390.0 1.36 +C5RP N5RP 390.0 1.36 +C5RP NO2 414.0 1.46 +C5RP NP 390.0 1.47 +C5RP NT 390.0 1.47 +C5RP O5R 400.0 1.36 +C5RP OE 330.0 1.42 +C5RP OK 765.0 1.22 +C5RP OS 365.0 1.46 +C5RP OT 450.0 1.38 +C5RP S5R 350.0 1.71 +C5RP SO1 226.0 1.71 +C5RP SO2 226.0 1.71 +C5RP SO3 226.0 1.71 +C5RP XBR 300.0 1.88 +C5RP XCL 232.0 1.71 +C5RP XF 380.0 1.33 +C5RP XI 300.0 2.05 +C5RQ C5RQ 360.0 1.48 +C5RQ CR55 450.0 1.41 +C5RQ CR56 450.0 1.41 +C6R C5RP 450.0 1.39 +C6R C5RQ 450.0 1.39 +C6R C6R 440.0 1.383 +C6R C6RE 450.0 1.39 +C6R C6RP 450.0 1.370 +C6R C6RQ 450.0 1.370 +C6R CF1 345.0 1.510 +C6R CF2 345.0 1.500 +C6R CF3 345.0 1.495 +C6R CQ66 450.0 1.403 +C6R CR56 450.0 1.360 +C6R CR66 470.0 1.403 +C6R CS66 470.0 1.403 +C6R CT 345.0 1.500 +C6R CT3 345.0 1.500 +C6R CT4 345.0 1.500 +C6R CUA1 325.0 1.458 +C6R CUA2 325.0 1.458 +C6R CUA3 325.0 1.458 +C6R CUY1 355.0 1.434 +C6R CUY2 355.0 1.434 +C6R MSE 230.0 1.917 +C6R MSI 250.0 1.850 +C6R N 390.0 1.432 +C6R N5R 390.0 1.36 +C6R N6R 420.0 1.327 +C6R N6RP 390.0 1.313 +C6R NC 400.0 1.33 +C6R NO2 414.0 1.46 +C6R NP 390.0 1.355 +C6R NR56 390.0 1.32 +C6R NR66 390.0 1.32 +C6R NT 350.0 1.415 +C6R O 610.0 1.227 +C6R O6R 390.0 1.40 +C6R OC 450.0 1.38 +C6R OE 365.0 1.38 +C6R OK 765.0 1.22 +C6R OS 365.0 1.400 +C6R OT 450.0 1.38 +C6R P6R 350.0 1.70 +C6R PO3 350.0 1.80 +C6R S6R 350.0 1.71 +C6R SE 230.0 1.773 +C6R SO1 350.0 1.725 +C6R SO2 350.0 1.770 +C6R SO3 350.0 1.725 +C6R ST 230.0 1.773 +C6R XBR 300.0 1.873 +C6R XCL 232.0 1.730 +C6R XF 380.0 1.338 +C6R XI 300.0 2.05 +C6RE C6RE 450.0 1.39 +C6RE CR56 450.0 1.39 +C6RE N6R 390.0 1.31 +C6RE OS 365.0 1.46 +C6RP C6RE 450.0 1.39 +C6RP C6RP 460.0 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2.370 +MRU SE 250.0 2.298 +MRU XBR 150.0 2.453 +MRU XCL 150.0 2.59 +MSB C6R 200.0 2.100 +MSB CT 200.0 1.995 +MSB OE 200.0 2.000 +MSB XBR 300.0 2.490 +MSB XCL 300.0 2.333 +MSB XF 300.0 1.858 +MSB XI 300.0 2.719 +MSC XF 300.0 1.787 +MSE MSI 175.0 2.273 +MSE O 350.0 1.576 +MSE OE 300.0 1.697 +MSE PT 250.0 2.273 +MSE XBR 175.0 2.354 +MSE XF 300.0 1.686 +MSI C5R 300.0 1.89 +MSI CT 232.0 1.878 +MSI HA 202.0 1.484 +MSI MSI 133.0 2.348 +MSI MSIU 350.0 2.350 +MSI N5R 300.0 1.74 +MSI NP 300.0 1.75 +MSI O2M 0.0 0.0 +MSI OE 390.0 1.636 +MSI OS 390.0 1.64 +MSI OSH 0.0 0.0 +MSI OSI 490.0 1.630 +MSI OT 390.0 1.663 +MSI SE 300.0 2.14 +MSI XBR 300.0 2.29 +MSI XCL 300.0 2.026 +MSI XF 300.0 1.59 +MSIU CT 265.0 1.890 +MSIU MSIU 232.0 1.484 +MSM XBR 300.0 2.661 +MSM XCL 100.0 2.515 +MSM XI 300.0 2.864 +MSN C6R 200.0 2.150 +MSN CT 200.0 2.104 +MSN CUA1 200.0 2.116 +MSN CUY1 300.0 2.060 +MSN H 200.0 1.680 +MSN O 250.0 1.890 +MSN OE 200.0 2.060 +MSN XBR 300.0 2.512 +MSN XCL 100.0 2.281 +MSN XI 300.0 2.645 +MSR XF 300.0 2.51 +MTA CT 250.0 2.066 +MTA MTA 350.0 2.68 +MTA O 300.0 1.984 +MTA OE 300.0 1.910 +MTA XBR 300.0 2.412 +MTA XCL 100.0 2.227 +MTB XBR 300.0 2.626 +MTB XCL 100.0 2.478 +MTB XI 300.0 2.829 +MTC MTC 350.0 2.10 +MTC O 300.0 1.662 +MTC OE 300.0 1.935 +MTC SE 300.0 2.300 +MTC XCL 250.0 2.41 +MTH O 300.0 2.42 +MTH XBR 300.0 2.72 +MTH XCL 100.0 2.58 +MTH XF 300.0 2.14 +MTI CT 300.0 2.14 +MTI O 300.0 1.96 +MTI XBR 300.0 2.339 +MTI XCL 250.0 2.170 +MTI XF 300.0 1.745 +MTI XI 300.0 2.546 +MTL MTL 250.0 3.68 +MTL XF 300.0 2.29 +MTM XBR 300.0 2.583 +MTM XCL 100.0 2.437 +MTM XI 300.0 2.786 +MU O 300.0 2.37 +MU XBR 300.0 2.66 +MU XCL 100.0 2.53 +MU XF 300.0 2.06 +MV N 300.0 1.651 +MV O 144.0 1.611 +MV OS 200.0 1.960 +MV XBR 300.0 2.276 +MV XCL 250.0 2.142 +MV XF 300.0 1.729 +MW CM 300.0 2.05 +MW MW 350.0 2.275 +MW O 250.0 1.925 +MW PT 300.0 2.518 +MW SE 300.0 2.345 +MW XCL 100.0 2.248 +MYB XBR 300.0 2.571 +MYB XCL 100.0 2.425 +MYB XI 300.0 2.774 +MZN C5R 50.0 2.280 +MZN CT 300.0 1.929 +MZN O 300.0 2.099 +MZN XBR 300.0 2.204 +MZN XCL 100.0 2.062 +MZN XI 300.0 2.401 +MZR O 300.0 1.921 +MZR OE 300.0 2.102 +MZR XBR 300.0 2.465 +MZR XCL 267.0 2.350 +MZR XF 300.0 1.902 +MZR XI 300.0 2.660 +FE NP 500.0 2.09 !added by gwo +THETAS ! BOND ANGLES; bond angles +C C C 70.0 106.5! FROM B. R. GELIN THESIS WITH HARMONIC +C C CR1E 70.0 122.5! OF H ANGLES. +CR1E C NP 65.0 122.5 +C NP FE 50.0 128.0! FORCE CONSTANT FROM PARMFIX9 (added by Gwo-Yu) +C CR1E CH2E 90.0 122.0 +C CR1E C 90.0 126.5 +NP FE NP 50.0 90.0 +CT B OE 45.0 110.0 +H B CT 35.0 109.47 +H B OE 35.0 109.47 +H B H 35.0 115.0 +H B HMU 35.0 105.0 +HMU B HMU 35.0 120.0 +OE B OE 35.0 112.0 +OE B OT 35.0 112.0 +OT B OT 35.0 112.0 +SE B SE 70.0 120.0 +SE B XCL 70.0 120.0 +XF B XF 50.0 109.47 +C C C6R 65.0 120.0 +C C CF1 44.0 118.0 +C C CF2 44.0 118.0 +C C CF3 44.0 118.0 +C C CH1E 65.0 118.0 +C C CH2E 65.0 118.0 +C C CH3E 65.0 118.0 +C C CT 44.0 118.0 +C C CUA1 65.0 120.0 +C C CUA2 65.0 120.0 +C C CUA3 65.0 120.0 +C C N 65.0 120.0 +C C NP 65.0 120.0 +C C NT 65.0 120.0 +C C NX 65.0 115.5 +C C O 80.0 120.0 +C C OA 83.0 120.9 +C C OAC 80.0 120.0 +C C OK 80.0 120.0 +C C OS 60.0 117.5 +C C OT 75.0 114.5 +C C PT 70.0 108.0 +C C SE 60.0 120.0 +C5R C CUA1 70.0 117.5 +C5R C CUA2 70.0 117.5 +C5R C CUA3 70.0 117.5 +C5R C NC 70.0 120.0 +C5R C NP 70.0 117.5 +C5R C O 85.0 121.5 +C5R C OA 80.0 121.0 +C5R C OAC 85.0 121.5 +C5R C OC 85.0 118.5 +C5R C OK 90.0 121.5 +C5R C OS 60.0 115.0 +C5R C OT 60.0 115.0 +C5RP C NC 70.0 120.0 +C5RP C OC 85.0 118.5 +C6R C C6R 86.0 120.0 +C6R C CR66 70.0 120.0 +C6R C CUA1 70.0 117.5 +C6R C CUA2 70.0 117.5 +C6R C CUA3 70.0 117.5 +C6R C CUY1 85.0 112.5 +C6R C CUY2 85.0 112.5 +C6R C N 70.0 126.0 +C6R C N5R 85.0 108.0 +C6R C N6R 62.0 114.1 +C6R C NC 70.0 120.0 +C6R C NP 70.0 117.5 +C6R C O 86.0 127.0 +C6R C OA 80.0 124.5 +C6R C OAC 86.0 121.1 +C6R C OC 85.0 118.5 +C6R C OE 86.0 125.3 +C6R C OK 90.0 121.5 +C6R C OS 60.0 110.0 +C6R C OT 60.0 115.0 +C6R C XF 75.0 110.5 +C6RE C N6R 62.0 114.1 +C6RE C NP 65.0 120.0 +C6RE C O 86.0 125.3 +C6RE C OS 40.0 120.0 +C6RP C CUA1 70.0 117.5 +C6RP C CUA2 70.0 117.5 +C6RP C CUA3 70.0 117.5 +C6RP C NC 70.0 120.0 +C6RP C OA 80.0 121.0 +C6RP C OC 86.0 118.5 +C6RP C OK 90.0 121.5 +C6RP C OS 60.0 115.0 +C6RP C OT 60.0 115.0 +CF1 C C5R 70.0 117.0 +CF1 C C6R 70.0 117.0 +CF1 C CT 78.0 117.0 +CF1 C CT3 78.0 117.0 +CF1 C CT4 78.0 117.0 +CF1 C CUA1 70.0 117.5 +CF1 C CUA2 70.0 117.5 +CF1 C CUA3 70.0 117.5 +CF1 C N 58.0 120.0 +CF1 C N5R 60.0 117.0 +CF1 C N6R 60.0 117.0 +CF1 C NC 58.0 120.0 +CF1 C NP 44.0 113.0 +CF1 C NT 55.0 123.6 +CF1 C NX 64.0 112.9 +CF1 C O 98.0 121.9 +CF1 C OA 62.0 124.8 +CF1 C OAC 66.0 125.0 +CF1 C OC 85.0 118.5 +CF1 C OK 75.0 121.5 +CF1 C OS 60.0 111.0 +CF1 C OT 54.0 108.5 +CF1 C SE 67.0 123.2 +CF1 C SK 67.0 123.2 +CF1 C XBR 45.0 111.0 +CF1 C XCL 59.0 118.0 +CF1 C XF 75.0 118.0 +CF1 C XI 40.0 118.0 +CF2 C C5R 70.0 117.0 +CF2 C C6R 70.0 117.0 +CF2 C CT 78.0 117.0 +CF2 C CT3 78.0 117.0 +CF2 C CT4 78.0 117.0 +CF2 C CUA1 70.0 117.5 +CF2 C CUA2 70.0 117.5 +CF2 C CUA3 70.0 117.5 +CF2 C N 58.0 120.0 +CF2 C N5R 60.0 117.0 +CF2 C N6R 60.0 117.0 +CF2 C NC 58.0 120.0 +CF2 C NP 44.0 113.0 +CF2 C NT 55.0 123.6 +CF2 C NX 64.0 112.9 +CF2 C O 98.0 121.9 +CF2 C OA 62.0 124.8 +CF2 C OAC 66.0 125.0 +CF2 C OC 85.0 118.5 +CF2 C OK 75.0 121.5 +CF2 C OS 60.0 111.0 +CF2 C OT 54.0 108.5 +CF2 C SE 67.0 123.2 +CF2 C SK 67.0 123.2 +CF2 C XBR 45.0 111.0 +CF2 C XCL 59.0 118.0 +CF2 C XF 75.0 118.0 +CF2 C XI 40.0 118.0 +CF3 C C5R 70.0 117.0 +CF3 C C6R 70.0 117.0 +CF3 C CT 78.0 117.0 +CF3 C CT3 78.0 117.0 +CF3 C CT4 78.0 117.0 +CF3 C CUA1 70.0 117.5 +CF3 C CUA2 70.0 117.5 +CF3 C CUA3 70.0 117.5 +CF3 C N 58.0 120.0 +CF3 C N5R 60.0 117.0 +CF3 C N6R 60.0 117.0 +CF3 C NC 58.0 120.0 +CF3 C NP 44.0 113.0 +CF3 C NT 55.0 123.6 +CF3 C NX 64.0 112.9 +CF3 C O 98.0 121.9 +CF3 C OA 62.0 124.8 +CF3 C OAC 66.0 125.0 +CF3 C OC 85.0 118.5 +CF3 C OK 75.0 121.5 +CF3 C OS 60.0 111.0 +CF3 C OT 54.0 108.5 +CF3 C SE 67.0 123.2 +CF3 C SK 67.0 123.2 +CF3 C XBR 45.0 111.0 +CF3 C XCL 59.0 118.0 +CF3 C XF 75.0 118.0 +CF3 C XI 40.0 118.0 +CH1E C C5R 70.0 117.0 +CH1E C C6R 70.0 117.0 +CH1E C CF1 65.0 117.0 +CH1E C CF2 65.0 117.0 +CH1E C CF3 65.0 117.0 +CH1E C CH1E 65.0 117.0 +CH1E C CH2E 65.0 117.0 +CH1E C CH3E 65.0 117.0 +CH1E C CT 65.0 117.0 +CH1E C CUA1 70.0 117.5 +CH1E C CUA2 70.0 117.5 +CH1E C CUA3 70.0 117.5 +CH1E C N5R 58.0 120.0 +CH1E C N6R 58.0 120.0 +CH1E C NC 58.0 120.0 +CH1E C NP 64.0 113.9 +CH1E C NX 64.0 112.9 +CH1E C O 66.0 122.6 +CH1E C OA 80.0 122.0 +CH1E C OAC 66.0 122.6 +CH1E C OC 85.0 118.5 +CH1E C OK 90.0 121.5 +CH1E C OS 60.0 115.0 +CH1E C OT 60.0 115.0 +CH1E C XBR 59.0 118.0 +CH1E C XCL 59.0 118.0 +CH1E C XF 59.0 118.0 +CH1E C XI 59.0 118.0 +CH2E C C5R 70.0 117.0 +CH2E C C6R 70.0 117.0 +CH2E C CF1 65.0 117.0 +CH2E C CF2 65.0 117.0 +CH2E C CF3 65.0 117.0 +CH2E C CH2E 65.0 117.0 +CH2E C CH3E 65.0 117.0 +CH2E C CT 65.0 117.0 +CH2E C CUA1 70.0 117.5 +CH2E C CUA2 70.0 117.5 +CH2E C CUA3 70.0 117.5 +CH2E C N5R 60.0 117.0 +CH2E C N6R 60.0 117.0 +CH2E C NC 58.0 120.0 +CH2E C NP 64.0 113.9 +CH2E C NX 64.0 112.9 +CH2E C O 66.0 122.6 +CH2E C OA 80.0 121.0 +CH2E C OAC 66.0 122.6 +CH2E C OC 85.0 118.5 +CH2E C OK 90.0 121.5 +CH2E C OS 60.0 115.0 +CH2E C OT 60.0 115.0 +CH2E C XBR 59.0 118.0 +CH2E C XCL 59.0 118.0 +CH2E C XF 59.0 118.0 +CH2E C XI 59.0 118.0 +CH3E C C5R 70.0 117.0 +CH3E C C6R 70.0 117.0 +CH3E C CH3E 65.0 117.0 +CH3E C CT 65.0 117.0 +CH3E C CUA1 70.0 117.5 +CH3E C CUA2 70.0 117.5 +CH3E C CUA3 70.0 117.5 +CH3E C N5R 60.0 117.0 +CH3E C N6R 60.0 117.0 +CH3E C NC 58.0 120.0 +CH3E C NP 64.0 113.9 +CH3E C NX 64.0 112.9 +CH3E C O 66.0 122.6 +CH3E C OA 80.0 122.0 +CH3E C OAC 66.0 122.6 +CH3E C OC 85.0 118.5 +CH3E C OK 90.0 121.5 +CH3E C OS 60.0 115.0 +CH3E C OT 60.0 115.0 +CH3E C XBR 59.0 118.0 +CH3E C XCL 59.0 118.0 +CH3E C XF 59.0 118.0 +CH3E C XI 59.0 118.0 +CR56 C N6R 62.0 111.3 +CR56 C NP 62.0 120.0 +CR56 C O 86.0 128.8 +CR66 C NP 90.0 120.0 +CR66 C O 120.0 120.0 +CT C C5R 70.0 117.0 +CT C C6R 70.0 117.0 +CT C CT 58.0 117.0 +CT C CT3 78.0 117.0 +CT C CT4 78.0 117.0 +CT C CUA1 70.0 117.5 +CT C CUA2 70.0 117.5 +CT C CUA3 70.0 117.5 +CT C N 58.0 120.0 +CT C N5R 60.0 117.0 +CT C N6R 60.0 117.0 +CT C NC 58.0 120.0 +CT C NP 44.0 113.0 +CT C NT 55.0 123.6 +CT C NX 64.0 112.9 +CT C O 98.0 121.9 +CT C OA 62.0 124.8 +CT C OAC 66.0 124.0 +CT C OC 85.0 118.5 +CT C OE 75.0 114.0 +CT C OK 75.0 121.5 +CT C OS 60.0 113.5 +CT C OT 54.0 110.6 +CT C SE 67.0 114.1 +CT C SK 67.0 123.2 +CT C XBR 45.0 111.0 +CT C XCL 59.0 118.0 +CT C XF 75.0 118.0 +CT C XI 40.0 118.0 +CT3 C NP 75.0 120.0 +CT3 C O 75.0 121.5 +CT3 C OA 75.0 121.5 +CT3 C OAC 75.0 125.0 +CT3 C OK 75.0 121.5 +CT3 C OS 75.0 111.0 +CT4 C NP 64.0 113.9 +CT4 C O 75.0 121.5 +CT4 C OA 75.0 121.5 +CT4 C OK 75.0 121.5 +CUA1 C CUA1 55.0 120.0 +CUA1 C N 55.0 119.0 +CUA1 C N5R 55.0 119.0 +CUA1 C N6R 55.0 119.0 +CUA1 C NC 55.0 119.0 +CUA1 C NP 55.0 119.0 +CUA1 C NT 55.0 119.0 +CUA1 C NX 55.0 119.0 +CUA1 C O 40.0 120.0 +CUA1 C OA 85.0 124.6 +CUA1 C OAC 40.0 120.0 +CUA1 C OC 40.0 120.0 +CUA1 C OK 40.0 120.0 +CUA1 C OS 40.0 120.0 +CUA1 C OT 40.0 120.0 +CUA1 C SE 60.0 120.0 +CUA1 C XCL 40.0 120.0 +CUA2 C N5R 55.0 119.0 +CUA2 C N6R 55.0 119.0 +CUA2 C NC 55.0 119.0 +CUA2 C NP 55.0 119.0 +CUA2 C NX 55.0 119.0 +CUA2 C O 40.0 120.0 +CUA2 C OA 85.0 124.0 +CUA2 C OAC 40.0 120.0 +CUA2 C OC 40.0 120.0 +CUA2 C OK 40.0 120.0 +CUA2 C OS 40.0 120.0 +CUY1 C CUY1 55.0 120.0 +CUY1 C CUY2 55.0 120.0 +CUY1 C O 80.0 120.0 +CUY1 C OA 55.0 123.0 +CUY1 C OAC 80.0 120.0 +CUY1 C OT 55.0 116.5 +CUY2 C CUY2 55.0 120.0 +CUY2 C O 80.0 120.0 +CUY2 C OA 55.0 123.0 +HA C C 38.0 115.1 +HA C C5R 45.0 117.0 +HA C C6R 45.0 114.5 +HA C CF1 45.0 117.0 +HA C CF2 45.0 117.0 +HA C CF3 45.0 117.0 +HA C CH1E 45.0 117.0 +HA C CH2E 45.0 117.0 +HA C CH3E 45.0 117.0 +HA C CT 45.0 115.2 +HA C CUA1 38.0 115.0 +HA C CUA2 38.0 110.0 +HA C CUA3 38.0 110.0 +HA C HA 30.0 120.0 +HA C N 55.0 124.0 +HA C N5R 55.0 120.0 +HA C N6R 55.0 118.0 +HA C NC 55.0 120.0 +HA C NP 55.0 110.4 +HA C NT 55.0 120.0 +HA C O 50.0 124.5 +HA C OA 38.0 124.0 +HA C OAC 50.0 123.5 +HA C OE 50.0 120.0 +HA C OS 52.0 111.5 +HA C OT 52.0 110.0 +HA C PUA1 50.0 120.0 +HA C SE 40.0 124.0 +HA C XBR 40.0 120.0 +HA C XCL 40.0 120.0 +HA C XF 40.0 120.0 +HA C XI 40.0 120.0 +MCO C MCO 55.0 120.0 +MCO C O 55.0 120.0 +MSI C O 50.0 120.0 +MSI C OAC 50.0 120.0 +N C NC 50.0 120.0 +N C NP 50.0 108.0 +N C NT 50.0 126.0 +N C N 50.0 126.0 +N C NX 50.0 108.0 +N C O 70.0 120.0 +N C OE 50.0 117.0 +N C SE 50.0 114.0 +N C SK 50.0 180.0 +N C XBR 50.0 126.0 +N5R C N 70.0 126.0 +N5R C N5R 70.0 106.0 +N5R C NP 70.0 127.0 +N5R C NT 70.0 120.0 +N6R C N6R 62.0 117.0 +N6R C NP 70.0 119.8 +N6R C NT 62.0 117.0 +N6R C O 70.0 121.0 +NC C NC 70.0 120.0 +NC C NP 70.0 120.0 +NC C OE 70.0 120.0 +NP C NO2 65.0 126.0 +NP C NP 90.0 117.0 +NP C NT 70.0 122.5 +NP C NX 90.0 117.0 +NP C O 98.0 125.1 +NP C OA 84.0 122.0 +NP C OAC 98.0 125.1 +NP C OE 84.0 120.0 +NP C OS 95.0 115.5 +NP C SE 50.0 109.0 +NP C SK 50.0 123.9 +NP C SO2 50.0 136.5 +NP C XBR 50.0 126.0 +NP C XF 50.0 125.0 +NT C O 55.0 120.0 +NT C OAC 55.0 120.0 +NT C SE 55.0 126.5 +NX C NT 70.0 122.5 +NX C NX 70.0 118.0 +NX C O 98.0 124.5 +NX C OS 95.0 115.5 +NX C SE 65.0 120.0 +NX C SK 70.0 120.0 +O C OC 81.0 123.0 +O C OS 81.0 124.4 +O C OT 100.0 126.5 +O C SE 75.0 124.0 +O C XBR 121.0 116.5 +O C XCL 121.0 116.5 +O C XF 121.0 116.5 +O C XI 121.0 116.5 +OA C OS 81.0 123.5 +OA C OT 85.0 120.0 +OA C XBR 121.0 116.5 +OA C XCL 121.0 116.5 +OA C XF 121.0 116.5 +OA C XI 121.0 116.5 +OAC C OC 81.0 124.4 +OAC C OS 81.0 122.5 +OAC C OT 100.0 123.9 +OAC C XBR 121.0 116.5 +OAC C XCL 121.0 116.5 +OAC C XF 121.0 116.5 +OAC C XI 121.0 116.5 +OC C OC 85.0 123.0 +OC C OT 85.0 120.0 +OS C OS 81.0 111.5 +OS C OT 60.0 116.5 +OS C XBR 70.0 120.0 +OS C XCL 70.0 120.0 +OS C XF 70.0 120.0 +SE C SE 70.0 111.0 +SE C SK 60.0 120.0 +SE C SO2 50.0 136.5 +XF C PT 49.0 120.0 +XF C XF 50.0 120.0 +CT3 C3 O 55.0 150.0 +CT3 C3 OK 55.0 150.0 +CT4 C4 CT4 58.0 92.0 +CT4 C4 NX 45.0 92.0 +CT4 C4 O 55.0 134.0 +CT4 C4 OK 55.0 134.0 +MCO C4 MCO 55.0 90.0 +MCO C4 O 55.0 135.0 +NP C4 O 98.0 135.0 +NX C4 O 98.0 132.0 +C C5R C5R 70.0 128.0 +C C5R CR56 70.0 125.0 +C C5R N5R 70.0 126.0 +C C5R O5R 70.0 126.0 +C C5R S5R 70.0 126.0 +C5R C5R C5R 70.0 108.0 +C5R C5R C5RE 70.0 108.0 +C5R C5R C5RP 70.0 108.0 +C5R C5R C5RQ 70.0 108.0 +C5R C5R CR55 70.0 108.0 +C5R C5R CR56 70.0 107.0 +C5R C5R CUA1 90.0 126.0 +C5R C5R CUA2 90.0 126.0 +C5R 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25.0 126.0 +HA C5R N5RP 25.0 126.0 +HA C5R N6R 25.0 126.0 +HA C5R NR55 25.0 126.0 +HA C5R NR56 25.0 126.0 +HA C5R O5R 25.0 126.0 +HA C5R PUA1 25.0 120.0 +HA C5R S5R 25.0 126.0 +N5R C5R CUA1 90.0 127.0 +N5R C5R N5R 100.0 115.0 +N5R C5R N6R 70.0 104.0 +N5R C5R NP 70.0 127.0 +N5R C5R NR56 70.0 106.0 +N5R C5R NT 70.0 127.0 +N5R C5R O5R 100.0 112.0 +N5R C5R OE 50.0 126.0 +N5R C5R S5R 100.0 112.0 +N5R C5R XCL 55.0 127.0 +NP C5R O5R 65.0 126.0 +NP C5R S5R 65.0 126.0 +S5R C5R SO2 65.0 126.0 +C5R C5RE C5R 65.0 108.0 +C5R C5RE C5RE 65.0 108.0 +C5R C5RE N5R 65.0 112.0 +C5R C5RE O5R 65.0 112.0 +C5R C5RE S5R 65.0 112.0 +C5RE C5RE C5RE 65.0 108.0 +C5RE C5RE N5R 65.0 112.0 +C5RE C5RE O5R 65.0 112.0 +C5RE C5RE S5R 65.0 112.0 +CR55 C5RE C5R 65.0 107.0 +CR55 C5RE C5RE 65.0 107.0 +CR55 C5RE N5R 65.0 112.0 +CR55 C5RE O5R 65.0 112.0 +CR55 C5RE S5R 65.0 107.0 +CR56 C5RE C5R 65.0 107.0 +CR56 C5RE C5RE 65.0 107.0 +CR56 C5RE N5R 65.0 107.0 +CR56 C5RE NR56 65.0 107.0 +CR56 C5RE O5R 65.0 107.0 +CR56 C5RE S5R 65.0 107.0 +N5R C5RE N5R 65.0 104.0 +N5R C5RE O5R 65.0 104.0 +N5R C5RE S5R 65.0 104.0 +C5R C5RP C5R 70.0 108.0 +C5R C5RP C6RP 70.0 126.0 +C5R C5RP CR55 70.0 108.0 +C5R C5RP CR56 70.0 107.0 +C5R C5RP N5R 65.0 112.0 +C5R C5RP N5RP 65.0 112.0 +C5R C5RP NR55 65.0 107.0 +C5R C5RP NR56 70.0 107.0 +C5R C5RP S5R 95.0 108.0 +C5RP C5RP C5R 70.0 126.0 +C5RP C5RP N5R 65.0 126.0 +C5RP C5RP O5R 70.0 126.0 +C5RP C5RP S5R 70.0 126.0 +CR55 C5RP N5R 65.0 112.0 +CR55 C5RP N5RP 70.0 127.0 +CR55 C5RP O5R 95.0 110.0 +CR55 C5RP S5R 95.0 114.0 +HA C5RP N5R 25.0 122.0 +N5R C5RP C5RQ 60.0 127.0 +N5R C5RP C6RP 60.0 127.0 +N5R C5RP N5R 70.0 104.0 +N5R C5RP N5RP 70.0 106.0 +N5R C5RP O5R 100.0 112.0 +N5R C5RP S5R 100.0 112.0 +O5R C5RP C6RP 60.0 127.0 +S5R C5RP C6RP 60.0 127.0 +C5R C5RQ C5R 70.0 108.0 +C5R C5RQ N5R 65.0 112.0 +C5R C5RQ NR55 65.0 107.0 +C5RP C5RQ C5R 70.0 108.0 +C5RP C5RQ N5R 65.0 126.0 +C5RP C5RQ O5R 70.0 126.0 +C5RP C5RQ S5R 70.0 126.0 +CR55 C5RQ N5R 65.0 112.0 +CR55 C5RQ O5R 95.0 110.0 +CR55 C5RQ 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70.0 127.0 +CH2E N5R C5R 70.0 127.0 +CH2E N5R C5RE 70.0 127.0 +CH2E N5R C5RP 70.0 127.0 +CH2E N5R CR55 70.0 127.0 +CH2E N5R CR56 70.0 127.0 +CH2E N5R N5RP 70.0 127.0 +CH2E N5R NR55 70.0 127.0 +CH3E N5R C5R 70.0 127.0 +CH3E N5R C5RE 70.0 127.0 +CH3E N5R C5RP 70.0 127.0 +CH3E N5R CR55 70.0 127.0 +CH3E N5R CR56 70.0 127.0 +CH3E N5R N5RP 70.0 127.0 +CH3E N5R NR55 70.0 127.0 +CR56 N5R N5R 70.0 127.0 +CR56 N5R SO2 70.0 127.0 +CT N5R C5R 70.0 130.0 +CT N5R C5RP 70.0 127.0 +CT N5R C5RQ 70.0 127.0 +CT N5R C6RE 70.0 127.0 +CT N5R CR55 70.0 127.0 +CT N5R CR56 70.0 124.0 +CT N5R N5R 70.0 127.0 +CT N5R N5RP 70.0 127.0 +CT N5R NR55 70.0 127.0 +CT N5R NR56 70.0 127.0 +CUA1 N5R NP 60.0 107.0 +H N5R C5R 30.0 127.0 +H N5R C5RE 30.0 127.0 +H N5R C5RP 30.0 127.0 +H N5R C5RQ 30.0 127.0 +H N5R CR55 30.0 127.0 +H N5R CR56 30.0 127.0 +H N5R CUA1 30.0 127.0 +H N5R N5R 30.0 127.0 +H N5R N5RP 30.0 127.0 +H N5R NP 30.0 127.0 +H N5R NR55 30.0 127.0 +H N5R NR56 30.0 127.0 +FE N5R C5R 10.0 127.0 +N5R N5R N5R 70.0 106.0 +C5R N5RP C5RP 70.0 127.0 +C5R N5RP C6RP 70.0 127.0 +C5R N5RP CR55 70.0 106.0 +C5R N5RP CR56 70.0 106.0 +C5R N5RP N5R 70.0 106.0 +C5R N5RP O5R 70.0 106.0 +C5R N5RP S5R 70.0 106.0 +C5RP N5RP CR55 70.0 106.0 +C5RP N5RP CR56 70.0 106.0 +C5RP N5RP N5R 70.0 106.0 +C6RP N5RP N5R 70.0 127.0 +C N6R C 116.0 126.4 +C N6R C6R 116.0 125.3 +C N6R C6RE 116.0 125.3 +C N6R CH1E 70.0 117.6 +C N6R CH3E 70.0 120.0 +C N6R CQ66 70.0 120.0 +C N6R CR56 70.0 120.0 +C N6R CR66 70.0 120.0 +C N6R CS66 70.0 120.0 +C N6R CT 70.0 120.0 +C N6R CUA1 70.0 120.0 +C N6R CUA2 70.0 120.0 +C N6R CUA3 70.0 120.0 +C N6R H 35.0 119.3 +C N6R NR56 70.0 120.0 +C N6R NR66 70.0 120.0 +C N6R P6R 70.0 120.0 +C N6R S6R 116.0 125.3 +C N6R SO2 116.0 125.3 +C5R N6R CR56 70.0 120.0 +C5R N6R N6R 70.0 120.0 +C5R N6R NR56 70.0 120.0 +C6R N6R C6R 70.0 115.5 +C6R N6R C6RE 70.0 120.0 +C6R N6R C6RP 70.0 120.0 +C6R N6R C6RQ 70.0 120.0 +C6R N6R CQ66 70.0 120.0 +C6R N6R CR56 70.0 120.0 +C6R N6R CR66 70.0 120.0 +C6R N6R CS66 70.0 120.0 +C6R N6R N5R 70.0 120.0 +C6R N6R N6R 70.0 108.0 +C6R N6R NR56 70.0 120.0 +C6R N6R NR66 70.0 120.0 +C6R N6R O 70.0 120.0 +C6R N6R P6R 70.0 120.0 +C6RE N6R C6RE 65.0 120.0 +C6RE N6R CQ66 65.0 120.0 +C6RE N6R CR66 65.0 120.0 +C6RP N6R C6RP 70.0 120.0 +C6RP N6R CR56 70.0 120.0 +C6RP N6R N5R 70.0 120.0 +C6RP N6R NR56 70.0 120.0 +C6RP N6R NR66 70.0 120.0 +CH1E N6R C6R 70.0 120.0 +CH1E N6R C6RE 70.0 120.0 +CH1E N6R CR56 70.0 120.0 +CH1E N6R CR66 70.0 120.0 +CH1E N6R NR66 70.0 120.0 +CH2E N6R C6R 70.0 120.0 +CH2E N6R C6RE 70.0 120.0 +CH2E N6R CR56 70.0 120.0 +CH2E N6R CR66 70.0 120.0 +CH2E N6R NR66 70.0 120.0 +CH3E N6R C6R 70.0 120.0 +CH3E N6R C6RE 70.0 120.0 +CH3E N6R CR56 70.0 120.0 +CH3E N6R CR66 70.0 120.0 +CH3E N6R NR66 70.0 120.0 +CR56 N6R C6RE 70.0 111.0 +CR56 N6R N5R 70.0 120.0 +CR56 N6R N6R 70.0 120.0 +CR56 N6R N6RP 70.0 120.0 +CR66 N6R C6RP 65.0 120.0 +CR66 N6R C6RQ 65.0 120.0 +CR66 N6R CR66 65.0 120.0 +CT N6R C6R 70.0 120.0 +CT N6R C6RE 70.0 120.0 +CT N6R CQ66 70.0 120.0 +CT N6R CR56 70.0 120.0 +CT N6R CR66 70.0 120.0 +CT N6R CS66 70.0 120.0 +CT N6R CUA1 70.0 120.0 +CT N6R CUA2 70.0 120.0 +CT N6R CUA3 70.0 120.0 +CT N6R NR56 70.0 120.0 +CT N6R NR66 70.0 120.0 +H N6R C6R 30.0 120.0 +H N6R C6RE 30.0 120.0 +H N6R CQ66 30.0 120.0 +H N6R CR56 30.0 120.0 +H N6R CR66 30.0 120.0 +H N6R CS66 30.0 120.0 +H N6R NR56 30.0 120.0 +H N6R NR66 30.0 120.0 +H N6R S6R 30.0 120.0 +H N6R SO1 30.0 120.0 +H N6R SO2 30.0 120.0 +H N6R SO3 30.0 120.0 +C6R N6RP C6R 70.0 120.0 +C6R N6RP C6RP 70.0 120.0 +C6R N6RP C6RQ 70.0 120.0 +C6R N6RP CR66 70.0 120.0 +C6R N6RP N6R 70.0 120.0 +C6RE N6RP C6RE 65.0 120.0 +C6RP N6RP C6RP 70.0 120.0 +C6RP N6RP N5R 70.0 120.0 +C6RP N6RP NR66 70.0 120.0 +CR66 N6RP C6RP 65.0 120.0 +CR66 N6RP C6RQ 65.0 120.0 +CR66 N6RP CR66 65.0 120.0 +C NC CT 44.0 117.6 +HC NC C 35.0 120.0 +HC NC CT 35.0 120.0 +HC NC HC 40.0 120.0 +C NO2 O 65.0 117.0 +C5R NO2 O 58.0 117.0 +C6R NO2 O 58.0 117.0 +CH1E NO2 O 58.0 117.0 +CH2E NO2 O 58.0 117.0 +CH3E NO2 O 58.0 117.0 +CT NO2 O 58.0 117.0 +N NO2 O 58.0 117.0 +NP NO2 O 180.0 117.0 +O NO2 O 160.0 127.0 +OE NO2 O 58.0 111.5 +C NP C 60.0 120.0 +C NP C5R 60.0 120.0 +C NP C6R 60.0 120.0 +C NP CF1 60.0 115.0 +C NP CF2 60.0 115.0 +C NP CF3 60.0 115.0 +C NP CH1E 44.0 117.6 +C NP CH2E 44.0 117.6 +C NP CH3E 44.0 117.6 +C NP CR56 70.0 120.0 +C NP CR66 60.0 120.0 +C NP CT 44.0 117.6 +C NP CUA1 60.0 120.0 +C NP CUA2 60.0 120.0 +C NP CUA3 60.0 120.0 +C NP CUY1 60.0 120.0 +C NP N 50.0 120.0 +C NP N5R 50.0 107.0 +C NP NO2 50.0 126.0 +C NP NP 80.0 120.0 +C NP NT 60.0 120.0 +C NP OE 50.0 120.0 +C NP OS 50.0 120.0 +C NP OT 50.0 120.0 +C NP SO2 60.0 115.0 +C NP SO3 60.0 120.0 +C NP XCL 60.0 120.0 +C5R NP CT 80.0 120.0 +C5R NP OT 65.0 120.0 +C5R NP SO1 80.0 120.0 +C5R NP SO2 80.0 120.0 +C6R NP C6R 80.0 120.0 +C6R NP CF1 80.0 120.0 +C6R NP CF2 80.0 120.0 +C6R NP CF3 80.0 120.0 +C6R NP CT 80.0 120.0 +C6R NP CUA1 60.0 120.0 +C6R NP CUA2 60.0 120.0 +C6R NP CUA3 60.0 120.0 +C6R NP N 60.0 180.0 +C6R NP NP 50.0 120.0 +C6R NP NT 60.0 120.0 +C6R NP OT 50.0 120.0 +C6R NP PUA1 50.0 120.0 +C6R NP SO2 50.0 120.0 +C6R NP SO3 50.0 120.0 +C6R NP XCL 60.0 120.0 +CH1E NP C5R 77.5 120.0 +CH1E NP C6R 77.5 120.0 +CH1E NP CH1E 60.0 120.0 +CH1E NP CH2E 60.0 120.0 +CH1E NP CH3E 60.0 120.0 +CH1E NP CT 60.0 120.0 +CH1E NP CUA1 77.5 120.0 +CH1E NP CUA2 77.5 120.0 +CH1E NP CUA3 77.5 120.0 +CH1E NP PT 60.0 120.0 +CH1E NP SO1 60.0 120.0 +CH1E NP SO2 60.0 120.0 +CH2E NP C5R 77.5 120.0 +CH2E NP C6R 77.5 120.0 +CH2E NP CH2E 60.0 120.0 +CH2E NP CH3E 60.0 120.0 +CH2E NP CT 60.0 120.0 +CH2E NP CUA1 77.5 120.0 +CH2E NP CUA2 77.5 120.0 +CH2E NP CUA3 77.5 120.0 +CH2E NP PT 55.0 120.0 +CH2E NP SO1 60.0 120.0 +CH2E NP SO2 60.0 120.0 +CH3E NP C5R 77.5 120.0 +CH3E NP C6R 77.5 120.0 +CH3E NP CH3E 60.0 120.0 +CH3E NP CT 60.0 120.0 +CH3E NP CUA1 77.5 120.0 +CH3E NP CUA2 77.5 120.0 +CH3E NP CUA3 77.5 120.0 +CH3E NP PT 55.0 120.0 +CH3E NP SO1 60.0 120.0 +CH3E NP SO2 60.0 120.0 +CT NP CT 80.0 120.5 +CT NP CUA1 80.0 120.0 +CT NP CUA2 80.0 120.0 +CT NP CUA3 80.0 120.0 +CT NP CUY1 60.0 120.0 +CT NP CUY2 60.0 120.0 +CT NP N 50.0 120.0 +CT NP NO2 40.0 120.5 +CT NP NP 60.0 120.0 +CT NP NT 50.0 120.0 +CT NP OT 50.0 120.0 +CT NP SO1 60.0 120.0 +CT NP SO2 43.0 120.0 +CT NP SO3 43.0 120.0 +CT NP XCL 60.0 120.0 +CT4 NP C 44.0 117.6 +CUA1 NP CUA1 60.0 120.0 +CUA1 NP NP 60.0 120.0 +CUA1 NP SO2 80.0 120.0 +CUA2 NP NP 60.0 120.0 +CUA2 NP SO2 80.0 120.0 +H NP C 18.0 119.7 +H NP C5R 30.0 120.0 +H NP C6R 30.0 120.0 +H NP CF1 23.0 120.0 +H NP CF2 23.0 120.0 +H NP CF3 23.0 120.0 +H NP CH1E 23.0 120.8 +H NP CH2E 23.0 120.8 +H NP CH3E 23.0 120.8 +H NP CT 18.0 119.8 +H NP CT4 23.0 120.8 +H NP CUA1 35.0 120.0 +H NP CUA2 35.0 120.0 +H NP CUA3 35.0 120.0 +H NP CUY1 35.0 120.0 +H NP H 18.0 117.6 +H NP N 35.0 126.0 +H NP NO2 35.0 120.0 +H NP NP 35.0 120.0 +H NP NT 35.0 120.0 +H NP OT 35.0 120.0 +H NP PT 35.0 120.0 +H NP SO1 30.0 120.0 +H NP SO2 30.0 120.0 +MCU NP C 80.0 120.0 +MCU NP N 80.0 120.0 +NP NP NT 50.0 115.0 +NP NP OE 50.0 120.0 +NP NP PUA1 50.0 120.0 +OT NP CH1E 50.0 120.0 +OT NP CH2E 50.0 120.0 +OT NP N 50.0 120.0 +SO3 NP H 40.0 120.0 +CPH1 NR1 CPH2 130.0 107.5 +CPH1 NR1 H 30.0 125.5 +CPH2 NR1 H 30.0 127.0 +CPH1 NR2 CPH2 130.0 104.0 +CPH1 NR3 CPH2 145.0 108.0 +CPH1 NR3 H 25.0 126.0 +CPH2 NR3 H 25.0 126.0 +C5RE NR55 C5R 65.0 133.0 +C5RE NR55 CR55 65.0 107.0 +C5RE NR55 N5R 65.0 107.0 +C5RP NR55 C5R 70.0 133.0 +C5RP NR55 C5RP 70.0 133.0 +C5RP NR55 C5RQ 70.0 133.0 +C5RP NR55 CR55 70.0 107.0 +C5R NR56 C6R 70.0 134.0 +C5R NR56 CR56 70.0 106.0 +C5R NR56 N6R 70.0 134.0 +C5RP NR56 C6R 70.0 133.0 +C5RP NR56 C6RP 70.0 133.0 +C5RP NR56 C6RQ 70.0 133.0 +C5RP NR56 CR56 70.0 107.0 +C6R NR56 CR56 70.0 120.0 +C6R NR56 N5R 70.0 134.0 +C6RP NR56 CR56 70.0 120.0 +C6RP NR56 N5R 70.0 134.0 +CR56 NR56 N6R 70.0 120.0 +N5R NR56 CR56 70.0 106.0 +C6R NR66 C6R 70.0 120.0 +C6R NR66 C6RP 70.0 120.0 +C6R NR66 C6RQ 70.0 120.0 +C6R NR66 CQ66 70.0 120.0 +C6R NR66 CR56 70.0 120.0 +C6R NR66 CR66 70.0 120.0 +C6R NR66 CS66 70.0 120.0 +C6R NR66 N6R 70.0 120.0 +C6R NR66 N6RP 70.0 120.0 +C6RE NR66 C6RE 65.0 120.0 +C6RE NR66 CQ66 65.0 120.0 +C6RE NR66 CR66 65.0 120.0 +C6RP NR66 C6RP 70.0 120.0 +C6RP NR66 N6R 70.0 120.0 +C NT C5R 35.0 109.47 +C NT C6R 35.0 109.47 +C NT CF1 35.0 109.47 +C NT CF2 35.0 109.47 +C NT CF3 35.0 109.47 +C NT CH1E 35.0 109.47 +C NT CH2E 35.0 109.47 +C NT CH3E 35.0 109.47 +C NT CT 35.0 109.47 +C NT CUA1 35.0 109.47 +C NT CUA2 35.0 109.47 +C NT CUA3 35.0 109.47 +C NT N 35.0 109.47 +C5R NT C5R 35.0 109.47 +C5R NT C6R 35.0 109.47 +C6R NT C6R 35.0 109.47 +C6R NT CF1 35.0 109.47 +C6R NT CF2 35.0 109.47 +C6R NT CF3 35.0 109.47 +C6R NT CH2E 35.0 109.47 +C6R NT CT 35.0 109.47 +C6R NT MAL 35.0 109.47 +CF1 NT CF1 56.0 106.0 +CF1 NT CF2 56.0 106.0 +CF1 NT CF3 56.0 106.0 +CF1 NT CT 56.0 106.0 +CF2 NT CF2 56.0 106.0 +CF2 NT CF3 56.0 106.0 +CH1E NT C5R 35.0 109.47 +CH1E NT C6R 35.0 109.47 +CH1E NT CH1E 35.0 109.47 +CH1E NT CH2E 35.0 109.47 +CH1E NT CH3E 35.0 109.47 +CH1E NT CT 35.0 109.47 +CH1E NT CUA1 30.0 109.47 +CH1E NT CUA2 30.0 109.47 +CH1E NT CUA3 30.0 109.47 +CH2E NT C5R 35.0 109.47 +CH2E NT CH2E 35.0 109.47 +CH2E NT CH3E 35.0 109.47 +CH2E NT CT 35.0 109.47 +CH2E NT CUA1 30.0 109.47 +CH2E NT CUA2 30.0 109.47 +CH2E NT CUA3 30.0 109.47 +CH3E NT C5R 35.0 109.47 +CH3E NT C6R 35.0 109.47 +CH3E NT CH3E 35.0 109.47 +CH3E NT CT 35.0 109.47 +CT NT C5R 35.0 109.47 +CT NT CT 35.0 110.5 +CT NT CT4 56.0 110.5 +CT NT LP 55.0 109.47 +CT NT MAL 35.0 109.47 +CT NT MSI 35.0 118.5 +CT NT NP 35.0 109.47 +CT NT NT 45.0 105.00 +CT NT O 45.0 109.47 +CT NT OE 35.0 109.47 +CT NT PT 55.0 109.47 +CT NT SO2 95.0 118.00 +CT NT SO3 95.0 118.0 +CT NT XCL 60.0 107.1 +CT3 NT CT3 45.0 60.0 +CT4 NT CT4 45.0 114.5 +CT4 NT NT 45.0 114.5 +CUA1 NT CT 35.0 109.47 +CUA1 NT CUA1 35.0 109.47 +CUA1 NT CUA2 35.0 109.47 +CUA1 NT CUA3 35.0 109.47 +CUA1 NT H 35.0 109.47 +CUA1 NT NP 35.0 109.47 +CUA2 NT CT 35.0 109.47 +CUA2 NT CUA2 35.0 109.47 +CUA2 NT H 35.0 109.47 +H NT C 35.0 109.47 +H NT C5R 35.0 109.47 +H NT C6R 35.0 109.47 +H NT CF1 35.0 109.47 +H NT CF2 35.0 109.47 +H NT CF3 35.0 109.47 +H NT CH1E 35.0 109.47 +H NT CH2E 35.0 109.47 +H NT CH3E 35.0 109.47 +H NT CT 42.0 110.5 +H NT CT3 35.0 107.0 +H NT CT4 35.0 107.0 +H NT H 42.0 106.9 +H NT HC 35.0 107.0 +H NT LP 55.0 109.47 +H NT N 35.0 109.47 +H NT NP 35.0 120.00 +H NT NT 48.0 109.47 +H NT OE 35.0 109.47 +H NT PT 45.0 109.47 +HC NT CH1E 35.0 109.47 +HC NT CH2E 35.0 109.47 +HC NT CH3E 35.0 109.47 +HC NT CT 35.0 109.47 +HC NT HC 40.0 109.47 +NP NT NP 35.0 107.00 +MAL NT MAL 55.0 109.47 +MCU NT C6R 72.0 130.0 +MCU NT CT 72.0 130.0 +MCU NT H 35.0 109.5 +MCU NT HC 35.0 107.0 +MCU NT NP 72.0 130.0 +MCU NT NT 72.0 130.0 +MSI NT MSI 26.0 127.7 +SO2 NT C 35.0 109.47 +SO2 NT C5R 50.0 120.0 +SO2 NT C6R 50.0 120.0 +SO2 NT CH1E 50.0 120.0 +SO2 NT CH2E 50.0 120.0 +SO2 NT CH3E 50.0 120.0 +SO2 NT H 50.0 109.47 +SO2 NT OE 45.0 104.00 +SO3 NT H 50.0 109.47 +C NX C 60.0 120.0 +C NX CH1E 50.0 121.0 +C NX CH2E 50.0 126.0 +C NX CP3 65.0 120.0 +C NX CT 65.0 117.6 +C NX CUA1 50.0 126.0 +C NX CUA2 50.0 126.0 +C NX CUA3 50.0 126.0 +C NX H 32.0 126.0 +C4 NX CT 45.0 135.0 +C4 NX CT4 45.0 90.0 +C4 NX CUA1 45.0 118.0 +C4 NX H 35.0 135.0 +C4 NX OE 45.0 135.0 +C4 NX SO3 45.0 135.0 +C6R NX C 60.0 120.0 +C6R NX CT 60.0 120.0 +CH1E NX CH1E 60.0 120.0 +CH1E NX CH2E 70.0 120.0 +CH1E NX CT 60.0 120.0 +CH2E NX CH2E 60.0 120.0 +CH2E NX CT 60.0 120.0 +CT NX CP3 95.0 120.0 +CT NX CT 95.0 117.0 +CT NX CT3 45.0 60.0 +CT NX CT4 45.0 135.0 +CT NX CUA1 60.0 120.0 +CT NX H 32.0 126.0 +CT3 NX H 35.0 150.0 +CT4 NX CUA1 55.0 110.0 +CT4 NX H 35.0 135.0 +CT4 NX OE 45.0 135.0 +CT4 NX SO3 45.0 135.0 +CUA2 NX CUA2 50.0 109.0 +PT NX C 60.0 180.0 +PT NX PT 60.0 180.0 +C O LP 55.0 120.0 +LP O LP 55.0 120.0 +MCU O C 100.0 130.0 +MAL O2M MAL 58.0 141.5 +MAL O2M MSI 58.0 141.5 +MSI O2M MSI 0.0 0.0 +MSI O2M OSH 0.0 0.0 +OSH O2M OSH 0.0 0.0 +C5R O5R C5R 100.0 106.0 +C5R O5R C5RE 70.0 106.0 +C5R O5R C5RP 70.0 106.0 +C5R O5R C5RQ 70.0 106.0 +C5R O5R CR55 100.0 108.0 +C5R O5R CR56 100.0 108.0 +C5R O5R N5R 70.0 108.0 +C5R O5R N5RP 70.0 106.0 +C5R O5R NR55 70.0 107.0 +C5R O5R S5R 70.0 107.0 +C5RE O5R C5RE 65.0 106.0 +C5RE O5R CR55 65.0 106.0 +C5RE O5R CR56 65.0 106.0 +C5RP O5R C5RP 70.0 106.0 +C5RP O5R C5RQ 70.0 106.0 +C5RP O5R CR55 70.0 106.0 +C5RP O5R CR56 70.0 106.0 +CH1E O5R C5R 70.0 127.0 +CH1E O5R C5RE 70.0 127.0 +CH1E O5R C5RP 70.0 127.0 +CH1E O5R CR55 70.0 127.0 +CH1E O5R CR56 70.0 127.0 +CH2E O5R C5R 70.0 127.0 +CH2E O5R C5RE 70.0 127.0 +CH2E O5R C5RP 70.0 127.0 +CH2E O5R CR55 70.0 127.0 +CH2E O5R CR56 70.0 127.0 +CH3E O5R C5R 70.0 127.0 +CH3E O5R C5RE 70.0 127.0 +CH3E O5R C5RP 70.0 127.0 +CH3E O5R CR55 70.0 127.0 +CH3E O5R CR56 70.0 127.0 +CR56 O5R CR56 100.0 108.0 +CT O5R C5R 70.0 127.0 +CT O5R C5RP 70.0 127.0 +CT O5R C5RQ 70.0 127.0 +CT O5R C6RE 70.0 127.0 +CT O5R CR55 70.0 127.0 +CT O5R CR56 70.0 127.0 +H O5R C5R 30.0 127.0 +H O5R C5RE 30.0 127.0 +H O5R C5RP 30.0 127.0 +H O5R C5RQ 30.0 127.0 +H O5R CR55 30.0 127.0 +H O5R CR56 30.0 127.0 +FE O5R C5R 0.0 127.0 +N5R O5R N5R 90.0 106.0 +C6R O6R C6R 60.0 120.0 +C6R O6R CQ66 60.0 120.0 +C6R O6R CR66 60.0 120.0 +C6R O6R CS66 60.0 120.0 +C6RE O6R C6RE 65.0 120.0 +CR66 O6R CR66 70.0 120.0 +CR66 OC C6RP 70.0 120.0 +B OE CT 45.0 130.0 +C OE C 116.0 126.4 +C OE C6R 122.0 118.0 +C OE C6RE 116.0 125.3 +C OE CF1 70.0 120.0 +C OE CF2 70.0 120.0 +C OE CF3 70.0 120.0 +C OE CH1E 70.0 117.6 +C OE CH3E 70.0 120.0 +C OE CT 70.0 120.0 +C OE CUA1 70.0 120.0 +C OE CUA2 70.0 120.0 +C OE CUA3 70.0 120.0 +C OE H 35.0 119.3 +C OE S6R 116.0 125.3 +C OE SO1 116.0 125.3 +C OE SO2 116.0 125.3 +C OE SO3 116.0 125.3 +C5R OE C5R 61.0 110.0 +C5R OE C6R 61.0 110.0 +C6R OE C6R 61.0 110.0 +C6R OE C6RE 70.0 120.0 +C6R OE CQ66 70.0 120.0 +C6R OE CR56 70.0 120.0 +C6R OE CR66 70.0 120.0 +C6R OE CUA1 70.0 120.0 +C6R OE CUA2 70.0 120.0 +C6R OE CUA3 70.0 120.0 +C6R OE MSI 58.0 118.0 +C6R OE NP 60.0 110.0 +C6R OE SO3 61.0 110.0 +C6R OE SO4 61.0 110.0 +C6RE OE C6RE 65.0 120.0 +C6RE OE C6RP 65.0 120.0 +C6RE OE CR56 65.0 120.0 +C6RE OE CR66 65.0 120.0 +CF1 OE CF1 85.0 111.0 +CF1 OE CF2 85.0 111.0 +CF1 OE CF3 85.0 111.0 +CF1 OE CT 85.0 111.0 +CF1 OE XF 85.0 100.8 +CF2 OE CF2 85.0 111.0 +CF2 OE CF3 85.0 111.0 +CF2 OE CT 85.0 111.0 +CF2 OE XF 85.0 100.8 +CF3 OE CF3 85.0 109.5 +CF3 OE CT 85.0 111.0 +CF3 OE XF 85.0 100.8 +CH1E OE C5R 61.0 110.0 +CH1E OE C5RE 122.0 118.0 +CH1E OE C5RP 122.0 118.0 +CH1E OE C6R 61.0 110.0 +CH1E OE C6RE 122.0 118.0 +CH1E OE C6RP 122.0 118.0 +CH1E OE CH1E 70.0 112.0 +CH1E OE CH2E 70.0 108.0 +CH1E OE CH3E 70.0 111.0 +CH1E OE CR55 122.0 118.0 +CH1E OE CR56 122.0 118.0 +CH1E OE CR66 122.0 118.0 +CH1E OE CT 70.0 111.0 +CH2E OE C5R 61.0 110.0 +CH2E OE C5RE 122.0 118.0 +CH2E OE C5RP 122.0 118.0 +CH2E OE C6R 61.0 110.0 +CH2E OE C6RE 122.0 118.0 +CH2E OE C6RP 122.0 118.0 +CH2E OE CH2E 70.0 111.0 +CH2E OE CH3E 70.0 111.0 +CH2E OE CR55 122.0 118.0 +CH2E OE CR56 122.0 118.0 +CH2E OE CR66 122.0 118.0 +CH2E OE CT 70.0 111.0 +CH3E OE C5R 61.0 110.0 +CH3E OE C5RE 122.0 118.0 +CH3E OE C5RP 122.0 118.0 +CH3E OE C6R 61.0 110.0 +CH3E OE C6RE 122.0 118.0 +CH3E OE C6RP 122.0 118.0 +CH3E OE CH3E 70.0 111.0 +CH3E OE CR55 122.0 118.0 +CH3E OE CR56 122.0 118.0 +CH3E OE CR66 122.0 118.0 +CH3E OE CT 70.0 111.0 +CR66 OE CR66 70.0 120.0 +CT OE C5R 61.0 110.0 +CT OE C5RE 122.0 118.0 +CT OE C5RP 122.0 118.0 +CT OE C5RQ 122.0 118.0 +CT OE C6R 61.0 108.0 +CT OE C6RE 122.0 118.0 +CT OE C6RP 122.0 118.0 +CT OE CR55 122.0 118.0 +CT OE CR56 122.0 118.0 +CT OE CR66 122.0 118.0 +CT OE CT 58.0 112.4 +CT OE CUA1 70.0 112.5 +CT OE CUA2 70.0 112.5 +CT OE CUA3 70.0 112.5 +CT OE MSI 58.0 118.0 +CT OE N 50.0 110.0 +CT OE NO2 61.0 110.0 +CT OE NP 50.0 110.0 +CT OE NT 50.0 108.0 +CT OE PT 50.0 110.0 +CT OE SE 50.0 110.0 +CT OE SO3 60.0 118.0 +CT OE SO4 60.0 118.0 +CT3 OE CT3 45.0 60.0 +CT4 OE CT4 45.0 95.0 +CT4 OE CUA1 45.0 112.5 +SH1E FE NP 50.0 90.0! Added 5-13-02 by Karl Clodfelter from 1bu7a +CH2E SH1E FE 50.0 105.2 +CUA1 OE CUA1 70.0 109.47 +CUA1 OE CUA2 70.0 109.47 +CUA1 OE MSI 70.0 130.0 +CUA1 OE N 70.0 111.0 +CUA1 OE NP 70.0 111.0 +H OE C6R 50.0 109.47 +H OE CT 50.0 109.47 +MAL OE MAL 55.0 120.0 +MCU OE C6R 100.0 128.6 +MCU OE CT 100.0 128.6 +FE OE CT 0.0 118.0 +MSE OE MSE 45.0 142.0 +NO2 OE NO2 50.0 110.0 +NX OE SO4 65.0 110.0 +H OH1 C6R 50.0 109.47 +H OH2 H 55.0 109.47122 +H OH2 LP 55.0 109.47122 +LP OH2 LP 55.0 109.47122 +FE OM OM 0.0 180.0 +C OS C 116.0 120.4 +C OS C5R 70.0 117.0 +C OS C6R 70.0 117.0 +C OS C6RE 70.0 119.0 +C OS CF1 75.0 120.0 +C OS CF2 75.0 120.0 +C OS CF3 75.0 120.0 +C OS CH1E 46.5 120.5 +C OS CH2E 46.5 120.5 +C OS CH3E 46.5 120.5 +C OS CT 83.0 115.9 +C OS CT4 83.0 114.5 +C OS CUA1 70.0 120.0 +C OS CUA2 70.0 120.0 +C OS CUA3 70.0 120.0 +C OS CUY1 70.0 119.0 +C OS H 35.0 119.3 +C OS S6R 116.0 125.3 +C OS SO1 116.0 125.3 +C OS SO2 116.0 125.3 +C OS SO3 116.0 125.3 +C5R OS C5R 122.0 118.0 +C5R OS C6R 122.0 118.0 +C5R OS PO4 85.0 118.0 +C5R OS SO4 47.6 120.5 +C6R OS C6R 122.0 118.0 +C6R OS C6RE 70.0 120.0 +C6R OS CQ66 70.0 120.0 +C6R OS CR56 70.0 120.0 +C6R OS CR66 70.0 120.0 +C6R OS OS 70.0 110.0 +C6R OS PO3 85.0 118.0 +C6R OS PO4 85.0 118.0 +C6R OS PT 85.0 118.0 +C6R OS SO4 47.6 120.5 +C6RE OS C6RE 65.0 120.0 +C6RE OS C6RP 65.0 120.0 +C6RE OS CR56 65.0 120.0 +C6RE OS CR66 65.0 120.0 +CH1E OS C5R 122.0 118.0 +CH1E OS C5RE 122.0 118.0 +CH1E OS C5RP 122.0 118.0 +CH1E OS C6R 122.0 118.0 +CH1E OS C6RE 122.0 118.0 +CH1E OS C6RP 122.0 118.0 +CH1E OS CH1E 70.0 111.0 +CH1E OS CH2E 70.0 111.0 +CH1E OS CH3E 70.0 111.0 +CH1E OS CR55 122.0 118.0 +CH1E OS CR56 122.0 118.0 +CH1E OS CR66 122.0 118.0 +CH1E OS CT 70.0 111.0 +CH1E OS PO4 85.0 118.0 +CH1E OS SO4 47.6 120.5 +CH2E OS C5R 122.0 118.0 +CH2E OS C5RE 122.0 118.0 +CH2E OS C5RP 122.0 118.0 +CH2E OS C6R 122.0 118.0 +CH2E OS C6RE 122.0 118.0 +CH2E OS C6RP 122.0 118.0 +CH2E OS CH2E 70.0 111.0 +CH2E OS CH3E 70.0 111.0 +CH2E OS CR55 122.0 118.0 +CH2E OS CR56 122.0 118.0 +CH2E OS CR66 122.0 118.0 +CH2E OS CT 70.0 111.0 +CH2E OS PO4 85.0 118.0 +CH2E OS SO4 47.6 120.5 +CH3E OS C5R 122.0 118.0 +CH3E OS C5RE 122.0 118.0 +CH3E OS C5RP 122.0 118.0 +CH3E OS C6R 122.0 118.0 +CH3E OS C6RE 122.0 118.0 +CH3E OS C6RP 122.0 118.0 +CH3E OS CH3E 70.0 111.0 +CH3E OS CR55 122.0 118.0 +CH3E OS CR56 122.0 118.0 +CH3E OS CR66 122.0 118.0 +CH3E OS CT 70.0 111.0 +CH3E OS PO4 85.0 118.0 +CH3E OS SO4 47.6 120.5 +CR66 OS CR66 70.0 120.0 +CT OS C5R 122.0 118.0 +CT OS C5RE 122.0 118.0 +CT OS C5RP 122.0 118.0 +CT OS C5RQ 122.0 118.0 +CT OS C6R 122.0 118.0 +CT OS C6RE 122.0 118.0 +CT OS C6RP 122.0 118.0 +CT OS CR55 122.0 118.0 +CT OS CR56 122.0 118.0 +CT OS CR66 122.0 118.0 +CT OS CT 70.0 111.0 +CT OS CUA1 70.0 111.0 +CT OS CUA2 70.0 111.0 +CT OS CUA3 70.0 111.0 +CT OS MAL 60.0 122.0 +CT OS MAS 60.0 122.0 +CT OS MSI 58.0 122.0 +CT OS OS 60.0 105.0 +CT OS PO4 85.0 118.0 +CT OS PT 85.0 118.0 +CT OS SO4 47.6 120.5 +H OS MAS 50.0 110.0 +H OS MSI 46.0 110.0 +H OS OS 50.0 110.0 +H OS PO4 58.0 111.5 +MAL OS MAL 62.0 138.0 +FE OS CT 0.0 118.0 +OS OS OS 70.0 119.0 +PO3 OS CT 50.0 111.5 +PO4 OS PO3 50.0 111.5 +PO4 OS PO4 50.0 131.0 +MSI OSH MSI 0.0 0.0 +MSI OSH O2M 0.0 0.0 +O2M OSH O2M 0.0 0.0 +MSI OSI MSI 7.5 149.0 +H OT B 45.0 112.0 +H OT C 57.0 112.5 +H OT C5R 50.0 109.47 +H OT C6R 50.0 109.47 +H OT CF1 58.0 106.0 +H OT CF2 58.0 106.0 +H OT CF3 58.0 106.0 +H OT CH1E 53.0 110.0 +H OT CH2E 53.0 110.0 +H OT CH3E 49.0 110.0 +H OT CT 58.0 106.0 +H OT CUA1 40.0 110.00 +H OT CUA2 49.0 110.0 +H OT CUA3 49.0 110.0 +H OT MAL 46.0 110.0 +H OT MAS 50.0 110.0 +H OT MSI 46.0 110.0 +H OT N 50.0 105.0 +H OT NP 50.0 112.5 +H OT PO3 58.0 111.5 +H OT PO4 58.0 111.5 +H OT PT 58.0 111.5 +H OT SO3 55.0 110.0 +H OT SO4 55.0 112.0 +HO OT C6R 50.0 109.47 +HO OT CH1E 53.0 106.7 +HO OT CH2E 53.0 106.7 +HO OT CH3E 53.0 106.7 +HO OT CT 59.0 106.7 +HO OT NP 50.0 106.7 +HO OT MSI 25.0 117.5 +HT OT HT 55.0 104.5 +CH3E OT CH3E 70.0 111.0 +HT OW HT 55.0 104.5 +C6R P6R C6R 70.0 120.0 +C6R PO3 O 135.0 113.0 +C6R PO3 OS 75.0 109.47 +C6R PO3 OT 75.0 109.47 +CT PO3 O 135.0 113.0 +CT PO3 OC 75.0 109.47 +CT PO3 OS 75.0 109.47 +CT PO3 OT 75.0 109.47 +O PO3 SK 50.0 102.6 +OC PO3 OC 144.0 109.47 +OS PO3 O 135.0 113.0 +OS PO3 OC 65.0 109.47 +OS PO3 OS 50.0 102.6 +OS PO3 OT 50.0 102.6 +OS PO3 SK 50.0 102.6 +OT PO3 O 135.0 113.0 +OT PO3 OT 78.1 109.47 +O PO4 OC 135.0 113.0 +O PO4 OS 135.0 113.0 +O PO4 OT 135.0 113.0 +OC PO4 OC 144.0 109.47 +OC PO4 OT 95.0 117.0 +OS PO4 OC 78.0 105.0 +OS PO4 OS 78.1 109.47 +OT PO4 OS 78.1 109.47 +OT PO4 OT 78.0 109.47 +C PT CT 29.0 120.0 +C PT NP 70.0 108.0 +C5R PT C5R 38.0 109.47 +C5R PT C6R 38.0 109.47 +C5R PT CT 38.0 109.47 +C6R PT C6R 65.0 103.5 +C6R PT CT 55.0 109.47 +C6R PT O 75.0 109.47 +C6R PT OS 55.0 109.47 +CH1E PT NP 55.0 109.47 +CH1E PT OC 55.0 109.47 +CH2E PT NP 55.0 109.47 +CH2E PT OC 55.0 109.47 +CH3E PT NP 55.0 109.47 +CT PT CT 35.0 99.0 +CT PT H 40.0 93.5 +CT PT MAL 30.0 95.0 +CT PT MRH 30.0 95.0 +CT PT MSI 30.0 92.0 +CT PT O 55.0 110.80 +CT PT OS 55.0 109.47 +CT PT OT 55.0 109.47 +CT PT PT 55.0 100.0 +CT PT SE 50.0 113.0 +CT PT SK 50.0 110.8 +CT PT XBR 35.0 113.0 +CT PT XCL 50.0 113.0 +CT PT XF 65.0 113.0 +CT PT XI 35.0 113.0 +CUA1 PT XCL 60.0 98.0 +CUA1 PT XF 60.0 93.0 +CUY1 PT CT 60.0 98.0 +CUY1 PT XCL 60.0 98.0 +CUY1 PT XF 60.0 98.0 +H PT H 55.0 93.0 +H PT PT 55.0 91.7 +MSE PT XF 45.0 110.0 +MSI PT MSI 36.0 90.5 +NP PT O 55.0 109.47 +NP PT OC 55.0 109.47 +NP PT OS 55.0 109.47 +NP PT SE 55.0 109.47 +NT PT CT 55.0 109.47 +NT PT NT 55.0 91.5 +NT PT O 55.0 109.47 +NT PT OS 55.0 91.5 +NT PT XCL 55.0 100.0 +NX PT C6R 60.0 120.0 +O PT O 135.0 110.0 +OC PT OC 55.0 109.47 +OC PT SE 55.0 109.47 +OE PT NT 55.0 90.5 +OE PT XCL 55.0 100.0 +OS PT O 75.0 110.0 +OS PT OS 55.0 109.47 +OS PT SK 75.0 109.47 +OS PT ST 55.0 109.47 +OS PT XCL 55.0 100.0 +OT PT O 75.0 110.0 +OT PT OT 78.1 109.47 +PT PT PT 55.0 109.47 +PT PT SE 55.0 109.47 +PT PT ST 55.0 109.47 +PT PT XF 55.0 95.0 +SE PT SE 55.0 100.5 +SE PT XBR 55.0 100.5 +SE PT XCL 55.0 100.5 +SE PT XF 55.0 107.50 +ST PT SK 75.0 109.47 +ST PT ST 55.0 109.47 +XBR PT XBR 50.0 100.0 +XCL PT XCL 50.0 100.0 +XF PT H 63.0 91.0 +XF PT XF 65.0 97.0 +XI PT XI 50.0 113.0 +C PUA1 CT 55.0 120.0 +C PUA1 PUA1 55.0 120.0 +C5R PUA1 CT 55.0 120.0 +C5R PUA1 PUA1 55.0 120.0 +C6R PUA1 C6R 55.0 120.0 +C6R PUA1 CT 55.0 120.0 +C6R PUA1 PUA1 55.0 120.0 +CT PUA1 CT 45.0 120.0 +CT PUA1 PUA1 45.0 120.0 +H PUA1 C 40.0 120.0 +H PUA1 NP 40.0 120.0 +HA PUA1 C 30.0 120.0 +HA PUA1 HA 30.0 120.0 +HA PUA1 PUA1 30.0 120.0 +NP PUA1 C 75.0 120.0 +C5R S5R C5R 90.0 98.0 +C5R S5R C5RE 70.0 106.0 +C5R S5R C5RP 90.0 98.0 +C5R S5R C5RQ 90.0 98.0 +C5R S5R CR55 90.0 98.0 +C5R S5R CR56 90.0 98.0 +C5R S5R N5R 90.0 98.0 +C5R S5R N5RP 90.0 98.0 +C5R S5R O5R 90.0 98.0 +C5RE S5R C5RE 65.0 106.0 +C5RE S5R CR55 65.0 106.0 +C5RE S5R CR56 65.0 106.0 +C5RP S5R C5RP 70.0 106.0 +C5RP S5R C5RQ 70.0 106.0 +C5RP S5R CR55 70.0 106.0 +C5RP S5R CR56 70.0 106.0 +CH1E S5R C5R 70.0 127.0 +CH1E S5R C5RE 70.0 127.0 +CH1E S5R C5RP 70.0 127.0 +CH1E S5R CR55 70.0 127.0 +CH1E S5R CR56 70.0 127.0 +CH1E S5R N5RP 70.0 127.0 +CH2E S5R C5R 70.0 127.0 +CH2E S5R C5RE 70.0 127.0 +CH2E S5R C5RP 70.0 127.0 +CH2E S5R CR55 70.0 127.0 +CH2E S5R CR56 70.0 127.0 +CH3E S5R C5R 70.0 127.0 +CH3E S5R C5RE 70.0 127.0 +CH3E S5R C5RP 70.0 127.0 +CH3E S5R CR55 70.0 127.0 +CH3E S5R CR56 70.0 127.0 +CR56 S5R CR56 90.0 108.0 +CR56 S5R O5R 90.0 98.0 +CT S5R C5R 70.0 127.0 +CT S5R C5RP 70.0 127.0 +CT S5R C5RQ 70.0 127.0 +CT S5R C6RE 70.0 127.0 +CT S5R CR55 70.0 127.0 +CT S5R CR56 70.0 127.0 +CT S5R N5R 70.0 127.0 +CT S5R N5RP 70.0 127.0 +CT S5R O5R 70.0 127.0 +H S5R C5R 30.0 127.0 +H S5R C5RE 30.0 127.0 +H S5R C5RP 30.0 127.0 +H S5R C5RQ 30.0 127.0 +H S5R CR55 30.0 127.0 +H S5R CR56 30.0 127.0 +H S5R N5R 30.0 127.0 +H S5R N5RP 30.0 127.0 +H S5R O5R 30.0 127.0 +FE S5R C5R 0.0 127.0 +N5R S5R N5R 70.0 98.0 +N5R S5R O5R 70.0 98.0 +O5R S5R O5R 70.0 98.0 +C S6R C 116.0 126.4 +C S6R C6R 116.0 125.3 +C S6R C6RE 116.0 125.3 +C S6R CH1E 70.0 117.6 +C S6R CH3E 70.0 120.0 +C S6R CT 70.0 120.0 +C S6R CUA1 70.0 120.0 +C S6R CUA2 70.0 120.0 +C S6R CUA3 70.0 120.0 +C S6R H 35.0 119.3 +C S6R S6R 116.0 125.3 +C S6R SO2 116.0 125.3 +C6R S6R C6R 70.0 120.0 +C6R S6R C6RE 70.0 120.0 +C6R S6R C6RP 90.0 120.0 +C6R S6R C6RQ 90.0 120.0 +C6R S6R CQ66 70.0 120.0 +C6R S6R CR56 70.0 120.0 +C6R S6R CR66 70.0 120.0 +C6RE S6R C6RE 65.0 120.0 +C6RE S6R CQ66 65.0 120.0 +C6RE S6R CR66 65.0 120.0 +CH1E S6R C6R 70.0 120.0 +CH1E S6R C6RE 70.0 120.0 +CH1E S6R CR56 70.0 120.0 +CH1E S6R CR66 70.0 120.0 +CH2E S6R C6R 70.0 120.0 +CH2E S6R C6RE 70.0 120.0 +CH2E S6R CR56 70.0 120.0 +CH2E S6R CR66 70.0 120.0 +CH3E S6R C6R 70.0 120.0 +CH3E S6R C6RE 70.0 120.0 +CH3E S6R CR56 70.0 120.0 +CH3E S6R CR66 70.0 120.0 +CR56 S6R C6RE 70.0 111.0 +CR66 S6R CR66 70.0 120.0 +CT S6R C6R 70.0 120.0 +CT S6R C6RE 70.0 120.0 +CT S6R CQ66 70.0 120.0 +CT S6R CR56 70.0 120.0 +CT S6R CR66 70.0 120.0 +CT S6R CS66 70.0 120.0 +CT S6R CUA1 70.0 120.0 +CT S6R CUA2 70.0 120.0 +CT S6R CUA3 70.0 120.0 +B SE B 65.0 96.9 +B SE SE 65.0 100.0 +C SE C 75.0 98.0 +C SE C6R 75.0 98.0 +C SE CT 75.0 98.0 +C SE CUA1 75.0 98.0 +C5R SE C5R 75.0 98.0 +C5R SE C6R 75.0 98.0 +C6R SE C6R 75.0 104.0 +C6R SE CUA1 75.0 104.0 +C6R SE CUA2 75.0 104.0 +C6R SE CUA3 75.0 104.0 +C6R SE OE 75.0 105.0 +CF1 SE CT 50.0 99.5 +CF2 SE CT 50.0 99.5 +CF3 SE CT 50.0 99.5 +CH1E SE C5R 75.0 98.0 +CH1E SE C6R 75.0 98.0 +CH1E SE CH1E 75.0 98.0 +CH1E SE CH2E 75.0 98.0 +CH1E SE CH3E 75.0 98.0 +CH1E SE CT 75.0 98.0 +CH2E SE C5R 75.0 98.0 +CH2E SE C6R 75.0 98.0 +CH2E SE CH2E 75.0 98.0 +CH2E SE CH3E 75.0 98.0 +CH2E SE CT 75.0 98.0 +CH3E SE C5R 75.0 98.0 +CH3E SE C6R 75.0 98.0 +CH3E SE CH3E 75.0 98.0 +CH3E SE CT 75.0 98.0 +CT SE C5R 75.0 98.0 +CT SE C6R 75.0 98.0 +CT SE CT 75.0 98.0 +CT SE CT4 75.0 98.0 +CT SE CUA1 75.0 102.0 +CT SE CUA2 75.0 102.0 +CT SE CUA3 75.0 98.0 +CT SE CUY1 75.0 102.0 +CT SE PT 75.0 98.0 +CT4 SE CUA1 50.0 98.0 +CUA1 SE CUA1 75.0 98.0 +CUA1 SE CUA2 75.0 98.0 +CUA1 SE CUA3 75.0 98.0 +CUA1 SE SE 75.0 98.0 +H SE C6R 50.0 109.47 +H SE CT 50.0 109.47 +MAS SE MAS 50.0 96.5 +MGE SE MGE 35.0 96.5 +MSI SE MSI 26.0 97.4 +N SE N 75.0 100.0 +SE SE SE 35.0 117.5 +PT SE PT 50.0 98.0 +C5R SO1 C5R 30.0 96.0 +C5R SO1 C6R 30.0 96.0 +C5R SO1 O 66.0 107.0 +C6R SO1 C6R 30.0 100.0 +C6R SO1 H 30.0 115.0 +C6R SO1 NP 30.0 97.0 +C6R SO1 O 66.0 105.0 +CH1E SO1 C5R 30.0 96.0 +CH1E SO1 C6R 30.0 96.0 +CH1E SO1 CH1E 30.0 96.0 +CH1E SO1 CH2E 30.0 96.0 +CH1E SO1 CH3E 30.0 96.0 +CH1E SO1 CT 30.0 96.0 +CH1E SO1 O 66.0 107.0 +CH2E SO1 C5R 30.0 96.0 +CH2E SO1 C6R 30.0 96.0 +CH2E SO1 CH2E 30.0 96.0 +CH2E SO1 CH3E 30.0 96.0 +CH2E SO1 CT 30.0 96.0 +CH2E SO1 O 66.0 107.0 +CH3E SO1 C5R 30.0 96.0 +CH3E SO1 C6R 30.0 96.0 +CH3E SO1 CH3E 30.0 96.0 +CH3E SO1 CT 30.0 96.0 +CH3E SO1 O 66.0 107.0 +CR66 SO1 CR66 70.0 115.0 +CR66 SO1 O 70.0 115.0 +CT SO1 C5R 30.0 96.0 +CT SO1 C6R 30.0 96.0 +CT SO1 CT 30.0 96.0 +CT SO1 O 66.0 107.0 +NP SO1 O 75.0 105.5 +H SO1 CR66 50.0 115.0 +H SO1 O 50.0 109.47 +C SO2 N5R 70.0 108.5 +C SO2 N6R 70.0 108.5 +C SO2 NC 70.0 108.5 +C SO2 NP 70.0 108.5 +C SO2 NT 70.0 108.5 +C SO2 O 70.0 108.5 +C5R SO2 C5R 21.0 103.0 +C5R SO2 C6R 21.0 103.0 +C5R SO2 N5R 70.0 108.5 +C5R SO2 N6R 70.0 108.5 +C5R SO2 NC 70.0 108.5 +C5R SO2 NP 70.0 108.5 +C5R SO2 NT 70.0 108.5 +C5R SO2 O 69.0 109.0 +C6R SO2 C6R 21.0 103.0 +C6R SO2 N 70.0 106.0 +C6R SO2 N5R 70.0 108.5 +C6R SO2 N6R 70.0 120.0 +C6R SO2 NC 70.0 108.5 +C6R SO2 NP 70.0 106.0 +C6R SO2 NT 70.0 107.0 +C6R SO2 O 69.0 109.0 +CH1E SO2 C5R 21.0 103.0 +CH1E SO2 C6R 21.0 103.0 +CH1E SO2 CH1E 21.0 103.0 +CH1E SO2 CH2E 21.0 103.0 +CH1E SO2 CH3E 21.0 103.0 +CH1E SO2 CT 21.0 103.0 +CH1E SO2 N5R 70.0 108.5 +CH1E SO2 N6R 70.0 108.5 +CH1E SO2 NC 70.0 108.5 +CH1E SO2 NP 70.0 108.5 +CH1E SO2 NT 70.0 108.5 +CH1E SO2 O 69.0 109.0 +CH2E SO2 C5R 21.0 103.0 +CH2E SO2 C6R 21.0 103.0 +CH2E SO2 CH2E 21.0 103.0 +CH2E SO2 CH3E 21.0 103.0 +CH2E SO2 CT 21.0 103.0 +CH2E SO2 N5R 70.0 108.5 +CH2E SO2 N6R 70.0 108.5 +CH2E SO2 NC 70.0 108.5 +CH2E SO2 NP 70.0 108.5 +CH2E SO2 NT 70.0 108.5 +CH2E SO2 O 69.0 109.0 +CH3E SO2 C5R 21.0 103.0 +CH3E SO2 C6R 21.0 103.0 +CH3E SO2 CH3E 21.0 103.0 +CH3E SO2 CT 21.0 103.0 +CH3E SO2 N5R 70.0 108.5 +CH3E SO2 N6R 70.0 108.5 +CH3E SO2 NC 70.0 108.5 +CH3E SO2 NP 70.0 108.5 +CH3E SO2 NT 70.0 108.5 +CH3E SO2 O 69.0 109.0 +CT SO2 C5R 21.0 103.0 +CT SO2 C6R 21.0 103.0 +CT SO2 CT 21.0 103.0 +CT SO2 CUA1 70.0 109.0 +CT SO2 CUA2 70.0 109.0 +CT SO2 CUA3 70.0 109.0 +CT SO2 N5R 70.0 108.5 +CT SO2 N6R 70.0 108.5 +CT SO2 NC 70.0 108.5 +CT SO2 NP 70.0 108.5 +CT SO2 NT 75.0 107.0 +CT SO2 O 69.0 110.5 +CUA1 SO2 NT 70.0 103.0 +CUA1 SO2 O 69.0 109.0 +CUA2 SO2 NT 70.0 103.0 +CUA2 SO2 O 69.0 109.0 +N SO2 O 75.0 107.5 +N5R SO2 O 75.0 107.5 +N6R SO2 O 75.0 107.5 +NC SO2 O 78.0 104.5 +NP SO2 O 75.0 107.5 +NT SO2 NP 75.0 108.5 +NT SO2 NT 70.0 108.5 +NT SO2 O 78.0 104.5 +O SO2 O 118.0 119.5 +C5R SO3 O 69.0 109.0 +C5R SO3 OT 55.0 109.0 +C6R SO3 O 69.0 109.0 +C6R SO3 OC 55.0 109.0 +C6R SO3 OE 55.0 109.0 +C6R SO3 OT 55.0 109.0 +CH1E SO3 O 69.0 109.0 +CH2E SO3 O 69.0 109.0 +CH3E SO3 O 69.0 109.0 +CT SO3 O 69.0 109.0 +CT SO3 OC 55.0 109.0 +CT SO3 OE 55.0 109.0 +CT SO3 OT 55.0 109.0 +CUA1 SO3 O 69.0 109.0 +CUA1 SO3 OT 55.0 109.0 +CUA2 SO3 O 69.0 109.0 +CUA2 SO3 OT 55.0 109.0 +NP SO3 O 75.0 107.5 +NP SO3 OT 55.0 109.0 +NX SO3 O 75.0 109.0 +NX SO3 OT 75.0 109.0 +O SO3 NT 78.0 107.5 +O SO3 O 118.0 118.0 +O SO3 OC 75.0 109.0 +O SO3 OE 75.0 109.0 +O SO3 OT 75.0 109.0 +OC SO3 OC 75.0 109.0 +OT SO3 NT 55.0 109.0 +OT SO3 OT 55.0 109.0 +O SO4 O 118.0 124.0 +O SO4 OC 75.0 108.0 +O SO4 OE 75.0 109.0 +O SO4 OS 135.0 109.47 +O SO4 OT 75.0 109.0 +OC SO4 OC 75.0 108.0 +OC SO4 OE 75.0 108.0 +OC SO4 OT 95.0 109.47 +OS SO4 OC 78.0 108.0 +OS SO4 OS 48.1 102.6 +OT SO4 OE 55.0 109.0 +OT SO4 OS 48.1 102.6 +OT SO4 OT 78.0 101.5 +C6R ST ST 50.0 104.2 +CF1 ST CT 50.0 95.0 +CF2 ST CT 50.0 95.0 +CF2 ST XF 15.0 90.0 +CF3 ST CT 50.0 95.0 +CH1E ST CH1E 50.0 99.5 +CH1E ST CH2E 50.0 99.5 +CH1E ST CH3E 50.0 99.5 +CH1E ST CT 50.0 99.5 +CH1E ST ST 50.0 104.2 +CH2E ST CH2E 50.0 99.5 +CH2E ST CH3E 50.0 99.5 +CH2E ST CT 50.0 99.5 +CH2E ST ST 50.0 104.2 +CH3E ST ST 50.0 104.2 +CT ST CT 50.0 99.5 +CT ST FE 50.0 100.5 +CT ST PT 73.0 103.0 +CT ST ST 53.0 103.0 +CUA1 ST ST 50.0 103.0 +CUA2 ST ST 50.0 103.0 +H ST CT 50.0 109.47 +H ST CT4 50.0 109.47 +H ST H 55.0 92.1 +OC ST OC 85.0 109.47 +PT ST PT 50.0 98.0 +ST ST PT 50.0 99.5 +XF ST XF 85.0 90.0 +C6R MAL NT 35.0 109.47 +CT MAL CT 50.0 122.00 +CT MAL CUY1 30.0 109.47 +CT MAL HA 30.0 120.00 +CT MAL MAL 30.0 120.0 +CT MAL NT 30.0 102.3 +CT MAL OE 30.0 95.0 +CT MAL OS 30.0 98.7 +CT MAL PT 40.0 95.0 +HA MAL HA 30.0 120.0 +NT MAL NT 50.0 109.47 +OE MAL OE 40.0 120.0 +OS MAL OS 155.0 109.47 +OS MAL OT 155.0 109.47 +OSH MAL OSH 48.150 109.47 +OT MAL OT 155.0 109.47 +XCL MAL XCL 40.0 120.0 +XF MAL XF 60.0 120.0 +MAS MAS SE 35.0 109.47 +MSI MAS MSI 30.0 93.8 +OE MAS C6R 100.0 109.47 +OE MAS CT 85.0 109.47 +OE MAS OE 125.0 109.47 +OS MAS C6R 100.0 109.47 +OS MAS CT 85.0 109.47 +OS MAS OE 125.0 109.47 +OS MAS OS 125.0 109.47 +OS MAS OT 125.0 109.47 +OT MAS C6R 100.0 109.47 +OT MAS OT 125.0 109.47 +SE MAS SE 35.0 109.47 +C5R MBE C5R 10.0 50.0 +C5R MBE CT 30.0 149.7 +CT MBE CT 30.0 180.0 +C MCO C 35.0 90.0 +C MCO CM 35.0 90.0 +C4 MCO C4 35.0 90.0 +C4 MCO CM 35.0 109.47 +C4 MCO MCO 35.0 45.0 +CM MCO CM 25.0 109.47 +CM MCO MCO 25.0 109.47 +CM MCR CM 5.0 109.47 +XCL MCR XCL 60.0 113.3 +XF MCR XF 60.0 111.9 +NP MCU NP 85.0 88.4 +NP MCU NT 85.0 88.4 +NT MCU XCL 30.0 90.0 +O MCU NP 125.0 88.4 +O MCU OE 125.0 88.4 +O MCU XCL 55.0 90.0 +OE MCU NP 125.0 88.4 +OE MCU NT 125.0 88.4 +OE MCU OE 125.0 88.4 +OE MCU XCL 55.0 90.0 +XCL MCU XCL 15.0 160.0 +CM FE CM 5.0 90.0 +HA FE CM 5.0 90.0 +HA FE HA 30.0 100.0 +N5R FE N5R 10.0 90.0 +OE FE OE 0.0 90.0 +ST FE ST 50.0 105.0 +CT MGE CT 30.0 109.47 +OSH MGE OSH 48.150 109.47 +SE MGE SE 35.0 109.47 +SE MGE XBR 35.0 109.47 +C5R MMG CT 30.0 149.7 +CT MMG CT 30.0 180.0 +XCL MNI XCL 75.0 180.0 +XCL MPD XCL 57.0 180.0 +XCL MPT XCL 75.0 180.0 +C5R MSE CF1 35.0 98.5 +C5R MSE CF2 35.0 98.5 +C5R MSE CF3 35.0 98.5 +C5R MSE CT 35.0 98.5 +C5R MSE CUA1 35.0 98.5 +C5R MSE CUA2 35.0 98.5 +C5R MSE XBR 35.0 98.5 +C5R MSE XF 35.0 98.5 +C6R MSE CT 50.0 98.5 +C6R MSE NT 35.0 98.5 +C6R MSE XBR 35.0 98.5 +C6R MSE XF 35.0 98.5 +CT MSE CT 50.0 95.0 +CT MSE CUA1 50.0 95.0 +CT MSE CUA2 50.0 95.0 +CT MSE CUY1 50.0 98.5 +CT MSE NP 50.0 104.3 +CUA1 MSE CUA1 35.0 95.0 +CUA1 MSE CUA2 35.0 94.5 +H MSE C5R 35.0 98.0 +H MSE C6R 35.0 98.0 +H MSE CF1 35.0 98.0 +H MSE CF2 35.0 98.0 +H MSE CF3 35.0 98.0 +H MSE CT 35.0 98.0 +H MSE CUA1 35.0 98.0 +H MSE CUA2 35.0 98.0 +H MSE CUY1 35.0 98.0 +H MSE MSE 35.0 98.0 +H MSE NP 35.0 98.0 +H MSE NT 35.0 98.0 +MSE MSE CF1 35.0 98.0 +MSE MSE CF2 35.0 98.0 +MSE MSE CF3 35.0 98.0 +MSE MSE CT 35.0 98.0 +MSE MSE CUA1 35.0 98.0 +MSE MSE MSI 35.0 95.0 +MSE MSE PT 35.0 95.0 +O MSE XF 55.0 92.0 +OE MSE XF 85.0 94.1 +XF MSE XF 60.0 94.1 +CH3E MSI CH3E 79.0 114.0 +CH3E MSI HA 35.0 109.47 +CH3E MSI OE 50.0 114.0 +CH3E MSI OSI 50.0 114.0 +CH3E MSI OT 50.0 114.0 +CT MSI C6R 50.0 109.47 +CT MSI CT 79.0 113.0 +CT MSI CUY1 70.0 109.47 +CT MSI HA 30.0 111.20 +CT MSI NT 50.0 109.47 +CT MSI XCL 50.0 109.47 +HA MSI C6R 30.0 109.47 +HA MSI HA 27.5 108.60 +HA MSI MSIU 30.0 109.47 +HA MSI NT 30.0 109.47 +HA MSI O2M 30.0 109.47 +HA MSI OSI 30.0 109.47 +HA MSI OT 27.5 109.47 +HA MSI PT 30.0 109.47 +MSI MSI CT 61.0 109.47 +MSI MSI HA 30.0 109.47 +MSI MSI MSI 45.0 109.47 +MSI MSI OE 50.0 106.0 +MSI MSI OS 50.0 106.0 +MSI MSI OSH 0.0 0.0 +MSI MSI OSI 50.0 106.0 +O2M MSI O2M 0.0 0.0 +O2M MSI OSH 0.0 0.0 +OE MSI CT 85.0 109.47 +OE MSI HA 50.0 109.47 +OE MSI O2M 67.0 107.0 +OE MSI OE 67.0 109.47 +OE MSI OSI 67.0 107.00 +OE MSI OT 67.0 109.47 +OS MSI CT 85.0 109.47 +OS MSI HA 50.0 109.90 +OS MSI O2M 67.0 109.47 +OS MSI OS 67.0 109.47 +OS MSI OT 67.0 109.47 +OSH MSI OSH 48.150 109.47 +OSI MSI CT 85.0 105.47 +OSI MSI OSI 127.0 109.47 +OT MSI CT 85.0 109.47 +OT MSI OSI 127.0 109.47 +OT MSI OT 127.0 109.47 +XCL MSI XCL 55.0 109.47 +CT MSIU CT 50.0 114.0 +CT MSIU CUA1 50.0 123.0 +CT MSIU HA 35.0 120.0 +CT MSIU MSI 50.0 120.0 +CUA1 MSIU HA 35.0 120.0 +CUA1 MSIU MSI 65.0 119.0 +MSI MSIU MSI 50.0 122.0 +OSH MTI OSH 48.150 109.47 +XCL MV XCL 50.0 111.3 +XF MV XF 60.0 111.2 +CM MW CM 5.0 90.0 +C5R MZN CT 30.0 149.7 +XCL MZR XCL 50.0 116.6 +PHI ! TORSIONS (DIHEDRAL ANGLES); torsions (dihedral angles) +X FE NP X 0.05 4 0.0!added by gwo +X SH1E FE X 0.0 4 0.0!Added 5-13-02 by Karl Clodfelter from 1bu7a +CH1E C N CH1E 10.0 2 180.0! PRO ISOM. BARRIER 20 KCAL/MOL. +CH2E C N CH1E 10.0 2 180.0 +CR1E C C CR1E 5.0 2 180.0! => TRP OOP. VIB 170CM 1 +CR1E C C C 2.5 2 180.0! SEE BEHLEN ET AL JCP 75:5685 81 +CR1E C C NH1 2.5 2 180.0 +X C CR1E X 10.0 2 180.0! DIHEDRAL PER BOND RATHER +X C NC2 X 8.2 2 180.0! 1.6 FROM 1.8 TO COINCIDE WITH +X C NH1 X 8.2 2 180.0! THE EXPERIMENTAL BARRIER. +X C NH2 X 8.2 2 180.0 +X C OH1 X 1.8 2 180.0 +X CH1E N X 0.3 3 0.0! FROM HAGLER ET AL TABULATION OF +X CH1E NH1 X 0.3 3 0.0! EXP. DATA AND 6 31G CALC. +X CH1E NH2 X 1.8 3 0.0! PROTONATED SECONDARY AMINE +X CH1E NH3 X 0.6 3 0.0! 1/PROTON SO 3 FOR THE BOND +X CH1E OH1 X 0.5 3 0.0! CHANGED TO ROUGHLY MEOH +X CH2E N X 0.3 3 0.0! SEE CH1E COMMENTS +X CH2E NH1 X 0.3 3 0.0 +X CH2E NH2 X 0.6 3 0.0 +X CH2E NH3 X 0.6 3 0.0 +X CH2E OH1 X 0.5 3 0.0 +X CH2E S X 1.2 2 0.0 +X CT NC2 X 0.3 3 0.0 +X CT NH1 X 0.3 3 0.0 +X CT NH2 X 0.6 3 0.0 +X CT NH3 X 0.6 3 0.0 +X CT OH1 X 0.5 3 0.0 +X CT S X 1.2 2 0.0 +X FE NR X 0.05 4 0.0 +X FE CM X 0.05 4 0.0 +X FE OM X 0.00 4 0.0 +X S S X 4.0 2 0.0! FROM EXP. NMR BARRIER +H B HMU B 0.5 4 180.0 +HMU B HMU B 0.5 2 0.0 +X B CT X 0.5 3 0.0 +X B OE X 0.5 3 0.0 +X B OT X 0.5 3 0.0 +X B SE X 2.0 2 0.0 +C C CT HA 0.12 2 180.0 +C C NP CT4 2.6 2 180.0 +C C NP H 2.6 2 180.0 +C6R C NP C 2.6 2 180.0 +C6R C NP C6R 2.6 2 180.0 +C6R C NP CT 2.6 2 180.0 +C6R C NP H 2.6 2 180.0 +CH1E C NP CH1E 2.6 2 180.0 +CH1E C NP CH2E 2.6 2 180.0 +CH1E C NP H 0.8 1 180.0 +CH2E C NP CH1E 2.6 2 180.0 +CH2E C NP CH2E 2.6 2 180.0 +CH2E C NP H 0.8 1 180.0 +CH3E C NP CH1E 2.6 2 180.0 +CH3E C NP CH2E 2.6 2 180.0 +CH3E C NP CH3E 2.6 2 180.0 +CH3E C NP H 0.8 1 180.0 +CT C C OT 1.7 2 180.0 +CT C CT HA 0.16 2 180.0 +CT C NP C 2.6 2 180.0 +CT C NP C6R 2.6 2 180.0 +CT C NP CT 2.6 2 180.0 +CT C NP CUA1 2.6 2 180.0 +CT C NP H 1.19 1 180.0 +CT C NP NP 2.6 2 180.0 +CT C OS CT 0.49 1 0.0 +CT C OS CT 2.65 2 180.0 +HA C CT CT 0.00 1 180.0 +HA C NP CT 1.05 1 0.0 +HA C NP H 2.6 2 180.0 +HA C NP NP 2.6 2 180.0 +N6R C NP C 2.6 2 180.0 +N6R C NP H 2.6 2 180.0 +NC C NP CH2E 2.6 2 180.0 +NC C NP CT 2.6 2 180.0 +NC C NP H 2.6 2 180.0 +NP C CH1E NP 0.35 2 180.0 +NP C CT NP 0.25 3 180.0 +NP C CT NX 2.50 3 180.0 +NP C NP CT 2.6 2 180.0 +NP C NP H 2.6 2 180.0 +NX C NP C 2.6 2 180.0 +NX C NP H 2.6 2 180.0 +O C C6R C6R 1.3 2 180.0 +O C C6RE C6RE 1.3 2 180.0 +O C CUA1 CUA1 1.5 1 0.0 +O C CUA2 CUA2 1.5 1 0.0 +O C NP C 2.6 2 180.0 +O C NP C6R 2.6 2 180.0 +O C NP CH1E 2.6 2 180.0 +O C NP CH2E 2.6 2 180.0 +O C NP CH3E 2.6 2 180.0 +O C NP CT 2.6 2 180.0 +O C NP CT4 2.6 2 180.0 +O C NP CUA1 2.6 2 180.0 +O C NP H 2.6 2 180.0 +OA C CT CT 0.26 1 0.0 +OA C CT CT 1.70 3 180.0 +OA C CT HA 0.30 3 180.0 +OA C CUA1 CUA1 2.2 1 0.0 +OA C CUA2 CUA2 1.8 1 0.0 +OAC C CT CT 0.40 3 180.0 +OAC C OS CT 0.27 1 0.0 +OAC C OS CT 2.65 2 180.0 +OAC C OT H 0.03 1 180.0 +OK C CT CT 0.55 1 180.0 +OK C CT CT 0.25 4 180.0 +OK C CUA1 CUA1 0.8 1 0.0 +OS C NP CT 2.6 2 180.0 +OS C NP H 2.6 2 180.0 +OT C CT CT 0.60 1 0.0 +OT C CT HA 0.05 3 0.0 +X C C X 0.5 2 180.0 +X C C5R X 2.5 2 180.0 +X C C5RP X 2.3 2 180.0 +X C C5RQ X 2.3 2 180.0 +X C C6R X 0.5 2 180.0 +X C C6RE X 1.5 2 180.0 +X C C6RP X 2.3 2 180.0 +X C CF1 X 0.10 3 180.0 +X C CF2 X 0.10 3 180.0 +X C CF3 X 0.02 3 180.0 +X C CH1E X 0.10 3 180.0 +X C CH2E X 0.10 3 180.0 +X C CR56 X 2.05 2 180.0 +X C CR66 X 2.05 2 180.0 +X C CT X 0.05 3 180.0 +X C CT3 X 0.05 3 180.0 +X C CT4 X 0.05 3 180.0 +X C CUA1 X 0.9 2 180.0 +X C CUA2 X 0.9 2 180.0 +X C CUY1 X 0.7 2 180.0 +X C CUY2 X 0.7 2 180.0 +X C MCO X 0.15 3 0.0 +X C N X 2.05 2 180.0 +X C N5R X 2.05 2 180.0 +X C N6R X 2.05 2 180.0 +X C NC X 2.05 2 180.0 +X C NO2 X 0.25 2 180.0 +X C NP X 2.6 2 180.0 +X C NT X 0.16 2 0.0 +X C NX X 2.6 2 180.0 +X C O5R X 2.05 2 180.0 +X C OE X 2.0 2 180.0 +X C OS X 2.5 2 180.0 +X C OT X 1.20 2 180.0 +X C PUA1 X 1.00 2 180.0 +X C S5R X 4.1 2 180.0 +X C S6R X 2.05 2 180.0 +X C SE X 2.0 2 180.0 +X C SO2 X 0.6 3 0.0 +X C3 CT3 X 0.5 2 180.0 +X C3 CUA1 X 0.5 2 180.0 +X C4 CT4 X 0.5 2 180.0 +X C4 CUA1 X 0.5 2 180.0 +X C4 MCO X 0.15 3 0.0 +X C4 NX X 2.6 2 180.0 +C5R C5R C5R C5R 3.1 2 180.0 +C5R C5R C5R HA 3.5 2 180.0 +HA C5R C5R HA 2.5 2 180.0 +X C5R C5R X 3.1 2 180.0 +X C5R C5RE X 3.1 2 180.0 +X C5R C5RP X 3.1 2 180.0 +X C5R C5RQ X 3.1 2 180.0 +X C5R CR55 X 3.1 2 180.0 +X C5R CR56 X 3.1 2 180.0 +X C5R MBE X 0.02 5 60.0 +X C5R MSE X 0.1 2 180.0 +X C5R N X 2.75 2 180.0 +X C5R N5R X 2.05 2 180.0 +X C5R N5RP X 2.05 2 180.0 +X C5R NC X 2.05 2 180.0 +X C5R NO2 X 1.15 2 180.0 +X C5R NP X 2.05 2 180.0 +X C5R NR55 X 3.1 2 180.0 +X C5R NR56 X 3.1 2 180.0 +X C5R NT X 0.1 3 0.0 +X C5R NX X 0.45 2 180.0 +X C5R O5R X 2.05 2 180.0 +X C5R OE X 1.5 2 180.0 +X C5R OS X 1.5 2 180.0 +X C5R OT X 0.5 2 180.0 +X C5R PUA1 X 0.5 2 180.0 +X C5R S5R X 2.05 2 180.0 +X C5R SE X 0.4 3 0.0 +X C5R SO1 X 0.5 3 0.0 +X C5R SO2 X 0.6 3 0.0 +X C5R SO4 X 0.1 3 0.0 +X C5RE N5R X 1.12 2 180.0 +N5R C5RP C6RP C6R 0.04 2 180.0 +S5R C5RP C6RP C6R 0.04 2 180.0 +X C5RP C5RP X 0.20 2 180.0 +X C5RP C6RP X 0.80 2 180.0 +X C5RP N5R X 2.05 2 180.0 +X C5RP N5RP X 0.80 2 180.0 +X C5RP O5R X 2.05 2 180.0 +X C5RP S5R X 2.05 2 180.0 +X C5RQ C5RQ X 1.12 2 180.0 +X C5RQ C6RP X 1.12 2 180.0 +X C5RQ N5R X 2.05 2 180.0 +X C5RQ O5R X 2.05 2 180.0 +X C5RQ S5R X 2.05 2 180.0 +C6R C6R C6R C6R 2.8 2 180.0 +C6R C6R C6R HA 3.0 2 180.0 +HA C6R C6R HA 2.5 2 180.0 +X C6R C6R X 3.1 2 180.0 +X C6R C6RE X 3.1 2 180.0 +X C6R C6RP X 3.1 2 180.0 +X C6RE C6RP X 3.1 2 180.0 +X C6R C6RQ X 3.1 2 180.0 +X C6R CQ66 X 3.1 2 180.0 +X C6R CR56 X 3.1 2 180.0 +X C6R CR66 X 3.1 2 180.0 +X C6R CS66 X 3.1 2 180.0 +X C6R CT3 X 0.1 3 0.0 +X C6R MAL X 0.15 3 0.0 +X C6R MSE X 0.1 2 180.0 +X C6R MSI X 0.16 2 0.0 +X C6R N X 1.00 2 180.0 +X C6R N5R X 2.05 2 180.0 +X C6R N6R X 2.05 2 180.0 +X C6R N6RP X 2.05 2 180.0 +X C6R NC X 2.05 2 180.0 +X C6R NO2 X 1.12 2 180.0 +X C6R NP X 0.5 2 180.0 +X C6R NR56 X 3.1 2 180.0 +X C6R NR66 X 3.1 2 180.0 +X C6R NT X 0.1 3 0.0 +X C6R NX X 0.45 2 180.0 +X C6R O6R X 3.1 2 180.0 +X C6R OE X 1.4 2 180.0 +X C6R OS X 0.5 2 180.0 +X C6R OT X 0.5 2 180.0 +X C6R P6R X 3.1 2 180.0 +X C6R PO3 X 0.5 3 0.0 +X C6R PT X 0.5 3 0.0 +X C6R PUA1 X 0.5 2 180.0 +X C6R S6R X 2.05 2 180.0 +X C6R SE X 0.4 3 0.0 +X C6R SO1 X 0.5 3 0.0 +X C6R SO2 X 0.6 3 0.0 +X C6R SO3 X 0.6 3 0.0 +X C6R SO4 X 0.1 3 0.0 +X C6R ST X 0.4 3 0.0 +X C6RE C6RE X 0.6 2 180.0 +X C6RE CR56 X 3.1 2 180.0 +X C6RE CR66 X 3.1 2 180.0 +X C6RE N6R X 3.1 2 180.0 +X C6RE NR56 X 3.1 2 180.0 +X C6RE NR66 X 3.1 2 180.0 +X C6RE O6R X 3.1 2 180.0 +C6RE C6RP C6RP C6RE 0.65 2 180.0 +X C6RP C6RP X 0.8 2 180.0 +X C6RP C6RQ X 3.1 2 180.0 +X C6RP CR66 X 3.1 2 180.0 +X C6RP N5RP X 0.8 2 180.0 +X C6RP N6R X 3.1 2 180.0 +X C6RP N6RP X 0.8 2 180.0 +X C6RP NR56 X 3.1 2 180.0 +X C6RP O6R X 3.1 2 180.0 +X C6RP OC X 5.0 2 180.0 +X C6RP OE X 1.0 2 180.0 +X C6RP OS X 1.0 2 180.0 +X C6RP P6R X 3.1 2 180.0 +X C6RP S6R X 2.5 2 180.0 +X C6RQ C6RQ X 0.8 2 180.0 +X C6RQ N6R X 3.1 2 180.0 +X C6RQ N6RP X 3.1 2 180.0 +CT CF1 OE CT 0.35 1 0.0 +CT CF1 OE CT 1.3 3 0.0 +CT CF1 OT HO 0.10 1 180.0 +HA CF1 OT HO 0.12 3 0.0 +OE CF1 OE CT 1.0 1 180.0 +XF CF1 CF1 XF 1.9 1 180.0 +XF CF1 CT CT 0.25 1 0.0 +X CF1 CF1 X 0.15 3 0.0 +X CF1 CF2 X 0.15 3 0.0 +X CF1 CF3 X 0.15 3 0.0 +X CF1 CT X 0.13 3 0.0 +X CF1 CUA1 X 0.35 3 0.0 +X CF1 CUA2 X 0.35 3 0.0 +X CF1 CUY1 X 0.10 3 0.0 +X CF1 N X 0.10 3 0.0 +X CF1 NP X 0.25 3 0.0 +X CF1 NT X 0.13 3 0.0 +X CF1 OE X 0.27 3 0.0 +X CF1 OS X 0.33 3 0.0 +X CF1 OT X 0.53 3 0.0 +X CF1 PO3 X 0.03 3 0.0 +X CF1 PT X 0.16 3 0.0 +X CF1 PUA1 X 0.1 3 0.0 +X CF1 SE X 0.27 3 0.0 +X CF1 SO1 X 0.33 3 0.0 +X CF1 SO2 X 0.4 3 0.0 +X CF1 SO3 X 0.4 3 0.0 +X CF1 ST X 0.12 3 0.0 +CT CF2 OE CT 0.35 1 0.0 +CT CF2 OE CT 1.3 3 0.0 +CT CF2 OT HO 0.10 1 180.0 +HA CF2 OT HO 0.12 3 0.0 +OE CF2 OE CT 1.0 1 180.0 +X CF2 CF2 X 0.15 3 0.0 +X CF2 CF3 X 0.15 3 0.0 +X CF2 CT X 0.15 3 0.0 +X CF2 CUA1 X 0.35 3 0.0 +X CF2 CUA2 X 0.35 3 0.0 +X CF2 CUY1 X 0.10 3 0.0 +X CF2 N X 0.10 3 0.0 +X CF2 NP X 0.25 3 0.0 +X CF2 NT X 0.13 3 0.0 +X CF2 OE X 0.27 3 0.0 +X CF2 OS X 0.33 3 0.0 +X CF2 OT X 0.53 3 0.0 +X CF2 PO3 X 0.03 3 0.0 +X CF2 PT X 0.16 3 0.0 +X CF2 PUA1 X 0.1 3 0.0 +X CF2 SE X 0.27 3 0.0 +X CF2 SO1 X 0.33 3 0.0 +X CF2 SO2 X 0.4 3 0.0 +X CF2 SO3 X 0.4 3 0.0 +X CF2 ST X 0.12 3 0.0 +X CF3 CF3 X 0.01 3 0.0 +X CF3 CT X 0.12 3 0.0 +X CF3 CUA1 X 0.35 3 0.0 +X CF3 CUA2 X 0.35 3 0.0 +X CF3 CUY1 X 0.10 3 0.0 +X CF3 N X 0.10 3 0.0 +X CF3 NP X 0.25 3 0.0 +X CF3 NT X 0.13 3 0.0 +X CF3 OE X 0.15 3 0.0 +X CF3 SE X 0.12 3 0.0 +X CF3 ST X 0.12 3 0.0 +X CH1E C5R X 0.5 3 0.0 +X CH1E C6R X 0.5 3 0.0 +X CH1E CH1E X 0.4 3 0.0 +X CH1E CH2E X 0.6 3 0.0 +X CH1E CT X 0.28 3 0.0 +X CH1E CUA1 X 0.25 3 0.0 +X CH1E CUA2 X 0.25 3 0.0 +X CH1E CUY1 X 0.1 3 0.0 +X CH1E N5R X 0.08 3 0.0 +X CH1E N6R X 0.08 3 0.0 +X CH1E NO2 X 0.05 3 0.0 +X CH1E NP X 0.17 3 0.0 +X CH1E NT X 0.1 3 0.0 +X CH1E NX X 0.08 3 0.0 +X CH1E OE X 0.65 3 0.0 +X CH1E OS X 0.5 3 0.0 +X CH1E OT X 0.25 3 0.0 +X CH1E PT X 0.16 3 0.0 +X CH1E SE X 0.4 3 0.0 +X CH1E SO1 X 0.5 3 0.0 +X CH1E SO2 X 0.6 3 0.0 +X CH1E ST X 0.2 3 0.0 +X CH2E C5R X 0.1 3 0.0 +X CH2E C6R X 0.1 3 0.0 +X CH2E CH2E X 1.6 3 0.0 +X CH2E CT X 1.6 3 0.0 +X CH2E CUA1 X 0.35 3 0.0 +X CH2E CUA2 X 0.35 3 0.0 +X CH2E CUY1 X 0.1 3 0.0 +X CH2E N6R X 0.35 3 0.0 +X CH2E NO2 X 0.6 3 0.0 +X CH2E NP X 0.35 3 0.0 +X CH2E NT X 0.2 3 0.0 +X CH2E NX X 0.15 3 0.0 +X CH2E OE X 0.65 3 0.0 +X CH2E OS X 0.5 3 0.0 +X CH2E OT X 0.25 3 0.0 +X CH2E SE X 0.8 3 0.0 +X CH2E SO1 X 1.0 3 0.0 +X CH2E SO2 X 1.2 3 0.0 +X CH2E ST X 0.6 3 0.0 +X CQ66 CQ66 X 3.1 2 180.0 +X CQ66 CR56 X 3.1 2 180.0 +X CQ66 CR66 X 3.1 2 180.0 +X CQ66 CS66 X 3.1 2 180.0 +X CR55 CR55 X 3.1 2 180.0 +X CR55 CR56 X 3.1 2 180.0 +X CR55 NR55 X 3.1 2 180.0 +X CR56 CR56 X 3.1 2 180.0 +X CR56 CR66 X 3.1 2 180.0 +X CR56 N5R X 3.1 2 180.0 +X CR56 N6R X 3.1 2 180.0 +X CR56 NP X 3.1 2 180.0 +X CR56 NR56 X 3.1 2 180.0 +X CR56 O5R X 3.1 2 180.0 +X CR56 S5R X 3.1 2 180.0 +X CR66 CR66 X 3.1 2 180.0 +X CR66 CS66 X 3.1 2 180.0 +X CR66 N6R X 3.1 2 180.0 +X CR66 N6RP X 3.1 2 180.0 +X CR66 NP X 3.1 2 180.0 +X CR66 NR66 X 3.1 2 180.0 +X CR66 O6R X 3.1 2 180.0 +X CR66 P6R X 3.1 2 180.0 +X CR66 SO1 X 3.1 1 180.0 +X CS66 CS66 X 3.1 2 180.0 +C CT CT OE 0.85 3 0.0 +CT CT CT CT 0.70 1 0.0 +CT CT CT CT 0.13 3 0.0 +CT CT CT NO2 0.45 1 180.0 +CT CT CT NT 0.82 1 0.0 +CT CT CT OE 0.55 1 0.0 +CT CT CT OT 0.65 1 0.0 +CT CT CT XCL 0.05 1 0.0 +CT CT CT XF 0.40 1 0.0 +CT CT CUA1 CUA1 0.12 1 0.0 +CT CT CUA1 CUA1 4.4 3 180.0 +CT CT CUA2 CUA2 0.12 1 0.0 +CT CT CUA2 CUA2 4.4 3 180.0 +CT CT CUA3 CUA3 0.12 1 0.0 +CT CT CUA3 CUA3 4.4 3 180.0 +CT CT N5R N5R 0.07 3 0.0 +CT CT NT CT 1.15 1 0.0 +CT CT NT H 0.07 1 0.0 +CT CT OE CT 0.82 1 0.0 +CT CT OE CT 0.25 3 0.0 +CT CT OS C 0.10 3 0.0 +CT CT OT HO 0.35 1 0.0 +CT CT OT HO 0.35 3 0.0 +CT CT ST H 0.38 1 0.0 +CUA1 CT CT NP 0.85 3 0.0 +HA CT CUA1 CUA1 2.0 3 180.0 +HA CT CUA2 CUA2 2.0 3 180.0 +HA CT CUA3 CUA3 2.0 3 180.0 +HA CT OT HO 0.05 3 0.0 +NP CT CT OE 0.85 3 0.0 +NT CT NP CT 0.2 3 0.0 +OE CT OE CT 1.3 1 180.0 +OE CT OT HO 1.50 1 180.0 +OE CT OT HO 0.65 3 0.0 +OT CT CT OT 3.43 1 0.0 +OT CT CT OT 1.70 3 0.0 +XCL CT CT XCL 0.05 1 180.0 +XCL CT CUA1 CUA1 0.8 3 180.0 +XCL CT CUA2 CUA2 0.8 3 180.0 +XCL CT CUA3 CUA3 0.8 3 180.0 +X CT C5R X 0.01 6 0.0 +X CT C6R X 0.01 6 0.0 +X CT CT X 0.15 3 0.0 +X CT CT3 X 0.15 3 0.0 +X CT CT4 X 0.15 3 0.0 +X CT CUA1 X 1.2 3 180.0 +X CT CUA2 X 1.2 3 180.0 +X CT CUA3 X 1.2 3 180.0 +X CT CUY1 X 0.4 3 0.0 +X CT CUY2 X 0.4 3 0.0 +X CT MAL X 0.12 3 0.0 +X CT MMG X 0.15 3 0.0 +X CT MSE X 0.05 3 0.0 +X CT MSI X 0.09 3 0.0 +X CT MSIU X 0.10 3 0.0 +X CT MZN X 0.15 3 0.0 +X CT N X 0.07 3 0.0 +X CT N3 X 0.25 3 0.0 +X CT N5R X 0.15 6 180.0 +X CT N6R X 0.05 6 0.0 +X CT NC X 0.05 3 0.0 +X CT NO2 X 0.2 3 0.0 +X CT NP X 0.01 3 0.0 +X CT NT X 0.16 3 0.0 +X CT NX X 0.01 3 0.0 +X CT OE X 0.27 3 0.0 +X CT OS X 0.33 3 180.0 +X CT OT X 0.25 3 0.0 +X CT PO3 X 0.03 3 0.0 +X CT PT X 0.16 3 0.0 +X CT PUA1 X 0.1 3 0.0 +X CT SE X 0.45 4 0.0 +X CT SO1 X 0.33 3 0.0 +X CT SO2 X 0.4 3 0.0 +X CT SO3 X 0.4 3 0.0 +X CT ST X 0.17 3 0.0 +X CT3 CT3 X 0.16 3 0.0 +X CT3 CUA1 X 0.25 2 180.0 +X CT3 CUA3 X 0.25 2 180.0 +X CT3 N3 X 0.5 2 180.0 +X CT3 NT X 0.50 2 180.0 +X CT3 OE X 0.50 3 0.0 +X CT4 CT4 X 0.09 3 0.0 +X CT4 CUA1 X 0.25 2 180.0 +X CT4 CUA2 X 0.25 2 180.0 +X CT4 CUA3 X 0.25 2 180.0 +X CT4 NP X 0.10 3 180.0 +X CT4 NT X 0.77 3 0.0 +X CT4 NX X 0.01 3 180.0 +X CT4 OE X 0.7 3 0.0 +X CT4 OS X 0.7 3 0.0 +X CT4 SE X 0.25 3 0.0 +X CT4 ST X 0.25 3 0.0 +CH2E CUA1 CUA1 CH2E 0.56 1 0.0 +CT CUA1 CUA1 CT 0.36 1 0.0 +CT CUA1 CUA1 CT 3.55 2 180.0 +CT CUA1 CUA1 NP 3.45 2 180.0 +CUA1 CUA1 CUA2 CUA2 1.20 1 0.0 +CUA1 CUA1 CUA3 CUA3 1.20 1 0.0 +CUA1 CUA1 OE CT 1.18 1 180.0 +CUA1 CUA1 OE CT 1.80 2 180.0 +CUA1 CUA1 SE CUA1 3.1 2 180.0 +HA CUA1 CUA1 CT 3.45 2 180.0 +HA CUA1 CUA1 HA 3.45 2 180.0 +HA CUA1 CUA1 NP 3.45 2 180.0 +HA CUA1 OE CT 0.50 3 0.0 +X CUA1 C5R X 0.7 2 180.0 +X CUA1 C6R X 0.7 2 180.0 +X CUA1 CUA1 X 3.55 2 180.0 +X CUA1 CUA2 X 1.05 2 180.0 +X CUA1 CUA3 X 1.05 2 180.0 +X CUA1 CUY1 X 0.5 2 180.0 +X CUA1 CUY2 X 0.5 2 180.0 +X CUA1 MSE X 0.1 2 180.0 +X CUA1 MSIU X 3.45 2 180.0 +X CUA1 N X 0.5 3 0.0 +X CUA1 N3 X 0.16 3 0.0 +X CUA1 N5R X 0.25 2 180.0 +X CUA1 NP X 0.25 2 180.0 +X CUA1 NT X 0.16 3 0.0 +X CUA1 NX X 0.25 2 180.0 +X CUA1 OE X 2.5 2 180.0 +X CUA1 OS X 2.5 2 180.0 +X CUA1 OT X 1.5 2 180.0 +X CUA1 PT X 0.25 2 0.0 +X CUA1 SE X 1.5 3 0.0 +X CUA1 SO2 X 0.6 3 0.0 +X CUA1 ST X 0.1 3 0.0 +C5R CUA2 C5R N5R 1.25 2 180.0 +C5R CUA2 CUA2 NX 2.5 2 180.0 +CT CUA2 CUA2 CT 0.56 1 0.0 +CUA2 CUA2 C5R NX 2.5 2 180.0 +CUA2 CUA2 CUA3 CUA3 1.20 1 0.0 +X CUA2 C5R X 0.8 2 180.0 +X CUA2 C6R X 0.8 2 180.0 +X CUA2 CUA2 X 3.55 2 180.0 +X CUA2 CUA3 X 1.05 2 180.0 +X CUA2 CUY1 X 0.5 2 180.0 +X CUA2 CUY2 X 0.5 2 180.0 +X CUA2 MSE X 0.1 2 180.0 +X CUA2 N X 0.5 3 0.0 +X CUA2 N3 X 0.16 3 0.0 +X CUA2 N5R X 0.25 2 180.0 +X CUA2 NP X 0.25 2 180.0 +X CUA2 NT X 0.16 3 0.0 +X CUA2 NX X 0.25 2 180.0 +X CUA2 OE X 1.5 2 0.0 +X CUA2 OT X 1.5 2 180.0 +X CUA2 SE X 1.5 3 0.0 +X CUA2 SO2 X 0.6 3 0.0 +X CUA2 ST X 0.1 3 0.0 +CT CUA3 CUA3 CT 0.56 1 0.0 +X CUA3 CUA3 X 3.45 2 180.0 +X CUA3 OE X 1.5 2 0.0 +X CUY1 C5R X 0.5 2 0.0 +X CUY1 C6R X 0.5 2 0.0 +X CUY1 CUY1 X 0.05 4 0.0 +X CUY1 OS X 1.5 3 0.0 +X CUY2 C6R X 1.0 2 0.0 +X N N X 7.0 2 180.0 +X N NO2 X 2.5 2 180.0 +X N NP X 2.5 2 180.0 +X N NT X 1.75 2 180.0 +X N OE X 0.5 3 0.0 +X N OT X 1.3 3 0.0 +X N SE X 2.0 3 0.0 +X N SO2 X 1.75 3 0.0 +X N3 N3 X 1.50 2 0.0 +X N5R N5R X 2.25 2 0.0 +X N5R N5RP X 2.25 2 0.0 +X N5R NP X 2.25 2 0.0 +X N5R NR56 X 2.25 2 0.0 +X N5R O5R X 2.25 2 0.0 +X N5R S5R X 2.25 2 0.0 +X N5R SO2 X 0.6 3 0.0 +X N6R NR56 X 2.25 2 0.0 +X NP NO2 X 2.6 2 180.0 +X NP NP X 1.25 2 180.0 +X NP NT X 0.1 3 0.0 +X NP OE X 0.25 3 0.0 +X NP OS X 0.25 3 0.0 +X NP OT X 0.25 3 0.0 +X NP PT X 0.5 2 180.0 +X NP PUA1 X 1.00 2 0.0 +X NP SO1 X 1.25 2 0.0 +X NP SO2 X 1.25 3 0.0 +X NP SO3 X 1.25 3 0.0 +X NT MAL X 0.1 3 0.0 +X NT MSI X 0.3 3 0.0 +X NT NT X 0.23 3 0.0 +X NT OE X 0.12 3 0.0 +X NT PT X 0.16 3 0.0 +X NT SO2 X 0.4 3 0.0 +X NX OE X 0.25 3 0.0 +X NX PT X 0.5 2 180.0 +X NX SO2 X 0.4 3 0.0 +X NX SO3 X 0.4 3 0.0 +X O5R S5R X 2.25 2 0.0 +X OE NO2 X 1.20 2 180.0 +X OE PT X 0.10 3 0.0 +X OE SE X 0.10 3 0.0 +X OE SO3 X 0.08 3 0.0 +X OE SO4 X 0.07 3 0.0 +X OS OS X 0.70 2 0.0 +X OS PO3 X 0.07 3 0.0 +X OS PO4 X 0.07 3 0.0 +X OS PT X 0.07 3 0.0 +X OS SO4 X 0.07 3 0.0 +X OT PO3 X 0.07 3 0.0 +X OT PO4 X 0.07 3 0.0 +X OT PT X 0.07 3 0.0 +X OT SO3 X 0.07 3 0.0 +X OT SO4 X 0.07 3 0.0 +X PT PT X 0.20 2 0.0 +X PT SE X 0.33 3 0.0 +X PT ST X 0.33 3 0.0 +X PUA1 PUA1 X 2.0 2 0.0 +X SE SE X 2.0 2 0.0 +X ST ST X 4.5 2 0.0 +X MAL MAL X 0.1 3 0.0 +X MAL OE X 0.03 3 0.0 +X MAL OS X 0.26 3 0.0 +X MAL OT X 0.26 3 0.0 +X MAL PT X 0.26 3 0.0 +X MAS MAS X 0.15 3 0.0 +X MAS OS X 0.26 3 0.0 +X MAS OT X 0.26 3 0.0 +X MAS SE X 0.15 3 0.0 +X MCO MCO X 0.05 3 0.0 +X MCU N5R X 5.0 2 0.0 +X MCU NT X 2.5 2 0.0 +X MCU O X 5.0 2 0.0 +X MCU OE X 5.0 2 0.0 +X FE ST X 1.0 3 0.0 +X MGE CT X 0.15 3 0.0 +X MGE SE X 0.15 3 0.0 +X MSE MSE X 2.5 2 0.0 +X MSE OE X 0.3 3 0.0 +X MSE PT X 0.3 3 0.0 +OSI MSI OSI MSI 0.27 3 180.0 +OT MSI OSI MSI 0.27 3 180.0 +X MSI MSI X 0.16 3 0.0 +X MSI MSIU X 0.25 3 0.0 +X MSI O2M X 0.27 3 0.0 +X MSI OE X 0.55 3 0.0 +X MSI OS X 0.27 3 0.0 +X MSI OSI X 0.27 3 0.0 +X MSI OT X 0.10 3 0.0 +X MSI PT X 0.25 3 0.0 +IMPHI ! IMPROPER ANGLES; improper angles +FE X X NP 20.0 0 0.0! +C X X CR1E 25.0 0 0.0 +B X X XCL 55.0 0 35.26439 +C C OT O 65.0 0 0.0 +C C OT OAC 65.0 0 0.0 +C C5R OS OAC 147.0 0 0.0 +C C6R OS OAC 147.0 0 0.0 +C CH1E OS OAC 147.0 0 0.0 +C CH1E OT OAC 147.0 0 0.0 +C CH2E OS OAC 147.0 0 0.0 +C CH2E OT OAC 147.0 0 0.0 +C CH3E OS OAC 147.0 0 0.0 +C CH3E OT OAC 147.0 0 0.0 +C CT C OK 72.0 0 0.0 +C CT OS O 147.0 0 0.0 +C CT OS OAC 147.0 0 0.0 +C CT OT O 147.0 0 0.0 +C CT OT OAC 147.0 0 0.0 +C HA C OA 70.0 0 0.0 +C HA OS O 80.0 0 0.0 +C HA OS OAC 80.0 0 0.0 +C HA OT O 72.0 0 0.0 +C HA OT OAC 72.0 0 0.0 +C OC OC CH1E 100.0 0 0.0 +C OC OC CH2E 100.0 0 0.0 +C OC OC CH3E 100.0 0 0.0 +C OC OC CT 100.0 0 0.0 +C OT CT OAC 147.0 0 0.0 +C OT CUA1 OAC 147.0 0 0.0 +C X X C 100.0 0 0.0 +C X X C5R 90.0 0 0.0 +C X X C5RP 100.0 0 0.0 +C X X C5RQ 100.0 0 0.0 +C X X C6R 100.0 0 0.0 +C X X C6RE 100.0 0 0.0 +C X X C6RP 100.0 0 0.0 +C X X CH2E 60.0 0 0.0 +C X X CH3E 60.0 0 0.0 +C X X CQ66 100.0 0 0.0 +C X X CR56 100.0 0 0.0 +C X X CR66 100.0 0 0.0 +C X X CS66 100.0 0 0.0 +C X X CT 60.0 0 0.0 +C X X CUA1 100.0 0 0.0 +C X X CUA2 100.0 0 0.0 +C X X N 45.0 0 0.0 +C X X N5R 90.0 0 0.0 +C X X N6R 90.0 0 0.0 +C X X NC 90.0 0 0.0 +C X X NO2 90.0 0 0.0 +C X X NP 60.0 0 0.0 +C X X NR56 90.0 0 0.0 +C X X NR66 90.0 0 0.0 +C X X NT 90.0 0 0.0 +C X X NX 60.0 0 0.0 +C X X O 147.0 0 0.0 +C X X O5R 90.0 0 0.0 +C X X OA 78.0 0 0.0 +C X X OAC 147.0 0 0.0 +C X X OC 100.0 0 0.0 +C X X OE 90.0 0 0.0 +C X X OK 66.0 0 0.0 +C X X OS 40.0 0 0.0 +C X X OT 80.0 0 0.0 +C X X PUA1 90.0 0 0.0 +C X X S5R 90.0 0 0.0 +C X X S6R 90.0 0 0.0 +C X X SK 45.0 0 0.0 +C X X XBR 45.0 0 0.0 +C X X XCL 45.0 0 0.0 +C X X XF 45.0 0 0.0 +C X X XI 45.0 0 0.0 +C3 X X OK 125.0 0 0.0 +C4 X X NX 5.0 0 0.0 +C4 X X O 125.0 0 0.0 +C4 X X OK 125.0 0 0.0 +C5R X X C5R 130.0 0 0.0 +C5R X X C5RE 90.0 0 0.0 +C5R X X C5RP 130.0 0 0.0 +C5R X X C5RQ 130.0 0 0.0 +C5R X X CH1E 130.0 0 0.0 +C5R X X CH2E 130.0 0 0.0 +C5R X X CH3E 130.0 0 0.0 +C5R X X CR55 90.0 0 0.0 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X C6R 15.0 0 0.0 +C6R X X C6RE 40.0 0 0.0 +C6R X X C6RP 140.0 0 0.0 +C6R X X C6RQ 140.0 0 0.0 +C6R X X CH1E 130.0 0 0.0 +C6R X X CH2E 130.0 0 0.0 +C6R X X CH3E 130.0 0 0.0 +C6R X X CQ66 130.0 0 0.0 +C6R X X CR56 90.0 0 0.0 +C6R X X CR66 130.0 0 0.0 +C6R X X CS66 130.0 0 0.0 +C6R X X CT 130.0 0 0.0 +C6R X X CT3 130.0 0 0.0 +C6R X X CUA1 90.0 0 0.0 +C6R X X CUA2 90.0 0 0.0 +C6R X X CUY1 90.0 0 0.0 +C6R X X CUY2 90.0 0 0.0 +C6R X X MAL 90.0 0 0.0 +C6R X X MSE 45.0 0 0.0 +C6R X X MSI 90.0 0 0.0 +C6R X X N 90.0 0 0.0 +C6R X X N5R 90.0 0 0.0 +C6R X X N6R 90.0 0 0.0 +C6R X X N6RP 90.0 0 0.0 +C6R X X NO2 90.0 0 0.0 +C6R X X NP 90.0 0 0.0 +C6R X X NR56 90.0 0 0.0 +C6R X X NT 110.0 0 0.0 +C6R X X NX 90.0 0 0.0 +C6R X X O 90.0 0 0.0 +C6R X X O6R 90.0 0 0.0 +C6R X X OC 90.0 0 0.0 +C6R X X OE 150.0 0 0.0 +C6R X X OK 30.0 0 0.0 +C6R X X OS 90.0 0 0.0 +C6R X X OT 150.0 0 0.0 +C6R X X P6R 90.0 0 0.0 +C6R X X PO3 90.0 0 0.0 +C6R X X PT 90.0 0 0.0 +C6R X X S6R 40.0 0 0.0 +C6R X X SE 90.0 0 0.0 +C6R X X SO1 130.0 0 0.0 +C6R X X SO2 90.0 0 0.0 +C6R X X SO3 90.0 0 0.0 +C6R X X ST 90.0 0 0.0 +C6R X X XBR 90.0 0 0.0 +C6R X X XCL 90.0 0 0.0 +C6R X X XF 90.0 0 0.0 +C6R X X XI 90.0 0 0.0 +C6RE X X C6RE 05.0 0 0.0 +C6RE X X C6RP 90.0 0 0.0 +C6RE X X CQ66 90.0 0 0.0 +C6RE X X CR56 90.0 0 0.0 +C6RE X X CR66 90.0 0 0.0 +C6RE X X CS66 90.0 0 0.0 +C6RE X X N6R 90.0 0 0.0 +C6RE X X N6RP 90.0 0 0.0 +C6RE X X NP 90.0 0 0.0 +C6RE X X NR56 90.0 0 0.0 +C6RE X X NR66 90.0 0 0.0 +C6RE X X O6R 90.0 0 0.0 +C6RE X X P6R 90.0 0 0.0 +C6RP X X C6RP 130.0 0 0.0 +C6RP X X C6RQ 90.0 0 0.0 +C6RP X X CQ66 90.0 0 0.0 +C6RP X X CR56 90.0 0 0.0 +C6RP X X CR66 90.0 0 0.0 +C6RP X X CS66 90.0 0 0.0 +C6RP X X N5RP 90.0 0 0.0 +C6RP X X N6R 90.0 0 0.0 +C6RP X X N6RP 90.0 0 0.0 +C6RP X X NR66 90.0 0 0.0 +C6RP X X O6R 90.0 0 0.0 +C6RP X X P6R 90.0 0 0.0 +C6RQ X X C6RQ 130.0 0 0.0 +CH1E OE CH1E N5R 55.0 0 32.0 +CH1E OE CH1E N6R 55.0 0 32.0 +CH1E OE CH2E N5R 55.0 0 32.0 +CH1E OE CH2E N6R 55.0 0 32.0 +CH1E X X C 55.0 0 35.26439 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150.0 0 0.0 +CR66 X X NR66 150.0 0 0.0 +CR66 X X NP 90.0 0 0.0 +CR66 X X O6R 150.0 0 0.0 +CR66 X X OC 90.0 0 0.0 +CR66 X X OE 40.0 0 0.0 +CR66 X X OS 40.0 0 0.0 +CR66 X X P6R 90.0 0 0.0 +CR66 X X S6R 40.0 0 0.0 +CR66 X X SO1 90.0 0 0.0 +CS66 X X CS66 90.0 0 0.0 +CT X X CUA1 70.0 0 0.0 +CT X X CUA2 70.0 0 0.0 +CT X X CUA3 70.0 0 0.0 +CT X X MSI 55.0 0 35.26439 +CT X X N 45.0 0 0.0 +CT X X N3 35.0 0 0.0 +CT X X N5R 90.0 0 0.0 +CT X X N6R 90.0 0 0.0 +CT X X NP 45.0 0 0.0 +CT X X NT 55.0 0 35.26439 +CT X X NX 35.0 0 0.0 +CUA1 X X CF1 50.0 0 0.0 +CUA1 X X CF2 50.0 0 0.0 +CUA1 X X CF3 50.0 0 0.0 +CUA1 X X CT3 150.0 0 0.0 +CUA1 X X CT4 180.0 0 0.0 +CUA1 X X CUA1 150.0 0 0.0 +CUA1 X X CUA2 62.0 0 0.0 +CUA1 X X CUA3 62.0 0 0.0 +CUA1 X X MSE 45.0 0 0.0 +CUA1 X X MSIU 70.0 0 0.0 +CUA1 X X N 45.0 0 0.0 +CUA1 X X N3 45.0 0 0.0 +CUA1 X X NP 45.0 0 0.0 +CUA1 X X OE 45.0 0 0.0 +CUA1 X X OT 45.0 0 0.0 +CUA1 X X PT 45.0 0 0.0 +CUA1 X X SE 45.0 0 0.0 +CUA1 X X SO2 45.0 0 0.0 +CUA1 X X XBR 90.0 0 0.0 +CUA1 X X XCL 90.0 0 0.0 +CUA1 X X XF 90.0 0 0.0 +CUA1 X X XI 90.0 0 0.0 +CUA2 X X CF1 50.0 0 0.0 +CUA2 X X CF2 50.0 0 0.0 +CUA2 X X CF3 50.0 0 0.0 +CUA2 X X CT3 150.0 0 0.0 +CUA2 X X CT4 180.0 0 0.0 +CUA2 X X CUA2 70.0 0 0.0 +CUA2 X X CUA3 62.0 0 0.0 +CUA2 X X MSE 45.0 0 0.0 +CUA2 X X N3 45.0 0 0.0 +CUA2 X X OE 45.0 0 0.0 +CUA2 X X OT 45.0 0 0.0 +CUA2 X X SE 45.0 0 0.0 +CUA2 X X XBR 90.0 0 0.0 +CUA2 X X XCL 90.0 0 0.0 +CUA2 X X XF 90.0 0 0.0 +CUA2 X X XI 90.0 0 0.0 +CUA3 X X CT3 150.0 0 0.0 +CUA3 X X CT4 180.0 0 0.0 +CUA3 X X CUA3 70.0 0 0.0 +H CPH1 CPH2 NR1 0.45 0 0.0 +H CPH1 CPH2 NR3 1.2 0 0.0 +H CPH2 CPH1 NR1 0.45 0 0.0 +H CPH2 CPH1 NR3 1.2 0 0.0 +H X X N3 35.0 0 0.0 +H X X N5R 35.0 0 0.0 +H X X N6R 35.0 0 0.0 +HA CPH1 NR1 CPH1 0.5 0 0.0 +HA CPH1 NR2 CPH1 0.5 0 0.0 +HA CPH1 NR3 CPH1 1.0 0 0.0 +HA NR1 CPH1 CPH1 0.5 0 0.0 +HA NR1 NR2 CPH2 0.5 0 0.0 +HA NR2 CPH1 CPH1 0.5 0 0.0 +HA NR2 NR1 CPH2 0.5 0 0.0 +HA X X C 53.0 0 0.0 +HA X X C5R 75.0 0 0.0 +HA X X C6R 75.0 0 0.0 +HA X X CUA1 75.0 0 0.0 +HA X X CUA2 75.0 0 0.0 +HA X X CUA3 75.0 0 0.0 +HA X X MSI 55.0 0 35.26439 +HC X X NC 45.0 0 0.0 +N X X N 45.0 0 0.0 +N5R X X CH1E 45.0 0 0.0 +N5R X X CH2E 45.0 0 0.0 +N5R X X CUA1 90.0 0 0.0 +N5R X X N5R 90.0 0 0.0 +N5R X X NR56 90.0 0 0.0 +N5R X X O5R 50.0 0 0.0 +N5R X X OC 90.0 0 0.0 +N5R X X S5R 45.0 0 0.0 +N5R X X SO2 45.0 0 0.0 +N6R X X CH1E 45.0 0 0.0 +N6R X X CH2E 45.0 0 0.0 +N6R X X N6R 90.0 0 0.0 +N6R X X N6RP 90.0 0 0.0 +N6R X X NR56 90.0 0 0.0 +N6R X X NR66 90.0 0 0.0 +N6R X X O 50.0 0 0.0 +N6R X X OE 40.0 0 0.0 +N6R X X OS 40.0 0 0.0 +N6R X X S6R 40.0 0 0.0 +NC HC HC C 90.0 0 0.0 +NO2 X X CT 45.0 0 0.0 +NO2 X X N 35.0 0 0.0 +NO2 X X NO2 35.0 0 0.0 +NO2 X X O 45.0 0 0.0 +NO2 X X OE 45.0 0 0.0 +NP H H C 45.0 0 0.0 +NP NC NC C 100.0 0 0.0 +NP X X CH2E 60.0 0 0.0 +NP X X CH3E 60.0 0 0.0 +NP X X H 18.0 0 0.0 +NP X X N 45.0 0 0.0 +NP X X NO2 67.0 0 0.0 +NP X X NP 65.0 0 0.0 +NP X X NT 45.0 0 0.0 +NP X X OT 45.0 0 0.0 +NP X X PT 45.0 0 0.0 +NP X X SO2 45.0 0 0.0 +NP X X SO3 45.0 0 0.0 +NX X X CH1E 60.0 0 0.0 +NX X X CH2E 60.0 0 0.0 +NX X X CUA1 45.0 0 0.0 +NX X X H 18.0 0 0.0 +NX X X OE 45.0 0 0.0 +NX X X SO2 45.0 0 0.0 +NX X X SO3 45.0 0 0.0 +O5R X X O5R 90.0 0 0.0 +OE X X CT 40.0 0 0.0 +OE X X MAL 40.0 0 0.0 +OE X X OE 40.0 0 0.0 +OE X X OS 40.0 0 0.0 +OE X X S6R 40.0 0 0.0 +OE X X SE 5.0 0 0.0 +OS X X OS 40.0 0 0.0 +OS X X S6R 40.0 0 0.0 +PT X X CT 55.0 0 35.26439 +PT X X H 35.0 0 35.26439 +PT X X MSI 15.0 0 35.26439 +PT X X NT 15.0 0 35.26439 +PT X X PT 15.0 0 35.26439 +PT X X SE 15.0 0 35.26439 +PT X X XCL 15.0 0 35.26439 +PUA1 X X H 35.0 0 0.0 +PUA1 X X HA 35.0 0 0.0 +PUA1 X X PUA1 65.0 0 0.0 +S6R X X S6R 40.0 0 0.0 +SO1 X X O 5.0 0 0.0 +MAL X X CT 5.0 0 0.0 +MAL X X NT 5.0 0 0.0 +MAL X X PT 5.0 0 -60.0 +MCU NT O NT 55.0 0 0.0 +MCU O NT O 55.0 0 0.0 +MCU X X N5R 90.0 0 0.0 +FE X X N5R 10.0 0 0.0 +FE X X O5R 0.0 0 0.0 +FE X X OE 0.0 0 0.0 +NBONDED NBXMOD 5 ATOM CDIEL SWITCH VATOM VDISTANCE VSWITCH - +CUTNB 15.0 CTOFNB 14.0 CTONNB 11.0 EPS 1.0 E14FAC 0.5 WMIN 1.5 +! +! EMIN Rmin These columns used for +! (kcal/mol) (A) 1-4 interactions +! +N* 1.10 -0.0900 1.830 1.10 -0.1 1.63 +P* 3.0 -0.100 1.900 +M* 0.01 -0.001 0.650 +S* 0.34 -0.043 1.890 +AR 1.641 18.00 1.88 +B 1.50 -0.01 1.17 +CR1E 1.35 -0.1200 2.100 1.35 -0.1 1.9 ! ring carbons +C 1.65 -0.1410 1.870 +C3 1.65 -0.1410 1.870 +C4 1.65 -0.1410 1.870 +C5R 1.65 -0.0500 2.040 1.65 -0.1 1.76 +C5RE 1.35 -0.0903 2.100 1.35 -0.1 1.90 +C5RP 1.65 -0.0500 2.040 +C5RQ 1.65 -0.0500 2.040 +C6R 1.65 -0.0500 2.040 1.65 -0.1 1.76 +C6RE 1.35 -0.0903 1.990 1.35 -0.1 1.99 +C6RP 1.65 -0.0500 2.040 +C6RQ 1.65 -0.0500 2.040 +CF1 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CF2 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CF3 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CH1E 1.35 -0.0486 2.265 1.35 -0.1 1.76 +CH2E 1.77 -0.1142 2.235 1.77 -0.1 1.76 +CH3E 2.17 -0.1811 2.165 2.17 -0.1 1.76 +CM 1.65 -0.0262 2.490 +CP3 1.65 -0.0903 1.800 +CPH1 1.65 -0.0903 1.800 +CPH2 1.65 -0.0903 1.800 +CQ66 1.65 -0.0500 2.040 +CR55 1.65 -0.0500 2.040 +CR56 1.65 -0.0500 2.040 +CR66 1.65 -0.0500 2.040 +CS66 1.65 -0.0500 2.040 +CT 1.65 -0.0903 1.800 1.65 -0.1 1.75 +CT3 1.65 -0.0903 1.800 +CT4 1.65 -0.0903 1.800 +CUA1 1.65 -0.0400 1.960 1.65 -0.1 1.76 +CUA2 1.65 -0.0400 1.960 +CUA3 1.65 -0.0400 1.960 +CUY1 1.65 -0.0300 2.100 +CUY2 1.65 -0.0300 2.100 +H 0.044 -0.0498 0.800 +HA 0.1 -0.0420 1.330 +HC 0.044 -0.0498 0.600 +HE 0.205 2.00 1.4 +HMU 0.044 -0.042 1.400 +HO 0.044 -0.0498 0.760 +HT 0.044 -0.0498 0.920 +KR 2.484 36.00 2.02 +LP 0.00 -0.04598 0.2245 +N5R 0.0 -0.0900 1.720 +NE 0.396 10.00 1.54 +NR1 0.0 -0.2000 1.850 +NR2 0.0 -0.2000 1.850 +NR3 0.0 -0.2000 1.850 +NT 0.0 -0.1500 1.650 +O 0.84 -0.1591 1.550 0.84 -0.20 1.36 +O2M 0.84 -0.001 0.650 +O5R 0.84 -0.1591 1.600 +O6R 0.84 -0.1591 1.600 +OA 0.84 -0.1591 1.540 0.84 -0.20 1.36 +OAC 0.84 -0.1591 1.520 0.84 -0.20 1.36 +OC 2.14 -0.1591 1.660 +OE 0.84 -0.1591 1.600 0.84 -0.20 1.36 +OH2 0.00 -0.0758 1.739 +OK 0.84 -0.1591 1.550 0.84 -0.20 1.36 +OM 0.84 -0.1591 1.540 +OS 0.84 -0.1591 1.600 0.84 -0.20 1.36 +OSH 0.01 -0.1591 1.600 +OSI 0.84 -0.1591 1.830 +OT 0.84 -0.1521 1.550 0.84 -0.20 1.48 +OW 0.84 -0.1521 1.768 +PT 0.0 -0.100 1.800 +PUY1 0.0 -0.100 1.800 +RN 5.300 86.00 2.25 +SE 0.00 -0.043 1.970 +XAT 2.880 -0.3200 2.180 +XBR 2.880 -0.3200 2.180 +XCL 1.91 -0.2600 2.060 +XE 4.044 54.00 2.16 +XF 0.32 -0.1000 1.700 0.32 -0.15 1.55 +XI 4.690 -0.8000 2.040 +MAL 0.29 -0.250 2.660 +MAS 0.00 -0.060 2.000 +MBA 0.0 -0.160 1.900 +MBE 0.00 -0.003 1.100 +MCA 0.00 -0.060 1.744 +MCS 2.90 -0.00449 2.909 +MCU 0.00 -0.060 1.380 +FE 0.01 -0.020 1.465 +MGE 0.00 -0.045 1.700 +MK 1.93 -0.0100 2.350 +MLI 0.025 -0.007 1.236 +MMG 0.00 -0.045 1.439 +MMN 0.00 -0.700 1.600 +MNA 0.17 -0.026 1.650 +MNI 0.00 -0.050 1.000 +MPD 0.00 -0.010 1.340 +MPT 0.0 -0.010 1.330 +MRB 1.90 -0.00653 2.661 +MRH 2.90 -0.0250 1.570 +MRU 2.90 -0.0250 1.650 +MSI 0.10 -0.310 2.500 0.10 -0.20 2.20 +MSIU 0.10 -0.310 2.600 +MSN 2.9 -0.045 1.900 +MSR 0.0 -0.1719 1.977 +MYB 0.00 -0.060 1.755 +MZN 0.0 -0.250 1.090 +MZR 1.90 -0.0100 2.030 +! +NBFIX +! +!MSI MSI -0.2500 0.84 !this must be turned on if polarization used +!MAL MAL -0.2500 1.00 !this must be turned on if polarization used +!CT HO -0.15 3.00 +!HA HO -0.05 3.10 +!HT HT -0.04598 0.4490 +!HT OW -0.08363 1.9927 +!O2M MAL -0.1855 2.81 +!O2M MSI -0.1855 2.61 +!O2M O2M -0.5596 3.59 +!OSH MAL 0.0 0.000001 +!OSH MSI 0.0 0.000001 +!OSH O2M 0.0 0.000001 +!OSH OSH 0.0 0.000001 +!OW OW -0.152073 3.5365 +!FE N5R -0.05 2.70 +!FE OM -0.05 1.58 +HBOND AEXP 4 REXP 6 HAEX 4 AAEX 2 NOACCEPTORS HBNOEXCLUSIONS ALL - +CUTHB 0.5 CTOFHB 5.0 CTONHB 4.0 CUTHA 90.0 CTOFHA 90.0 CTONHA 90.0 +! +N* N* -3.00 3.00 +N* O* -3.50 2.90 +OT N* -4.00 2.85 +O* O* -4.25 2.75 +! + +VOLUME +H 0.310 +HA 0.310 !ADDED VOLUME -- POLAR H +HC 0.529 +HO 0.440 +HT 0.440 +C 12.403 +CH1E 12.257 +CH2E 35.356 +CH3E 40.947 +CR1E 18.583 +CR56 18.583 !ADDED VOLUME -- AROMATIC C +CR66 18.583 !ADDED VOLUME -- AROMATIC C +C5RE 18.583 !ADDED VOLUME -- AROMATIC C +C5R 12.403 !ADDED VOLUME -- AROMATIC C w/NO H +C6RE 18.583 !ADDED VOLUME -- AROMATIC C +C6R 12.403 !ADDED VOLUME -- AROMATIC C w/NO H +C6RP 12.403 !ADDED VOLUME -- THIS IS BASICALLY C6R?? +CUA1 12.403 !ADDED VOLUME -- DOUBLE BONDED C +CUY1 12.403 !ADDED VOLUME -- TRIPLE BONDED C +CUY2 12.403 !ADDED VOLUME -- TRIPLE BONDED C +CT 12.403 !ADDED VOLUME -- TETRAHEDRAL C +CM 0.000 +LP 0.000 +NX 0.000 !renamed from N to comform to parm.prm +N 16.611 !N IN UREA +N5R 1.879 !PYROLE RING IN TRP, HIS, etc. +N6R 1.879 !ADDED VOLUME - FRAGMENTS +NC 17.428 !NH's ON ARG -- SOMEWHERE BETWEEN NC2 & NH3?? +NT 15.521 !NH's on LYS +NR 16.611 +NP 1.879 +NH1 1.708 +NH2 18.677 +NH3 15.521 +NC2 19.336 +O 14.375 +OC 16.404 +OA 16.404 !THIS IS BASICALLY AN UNCHARGED CARBOXYL O +OAC 16.404 !"" FOR ACIDS +OT 21.427 !HYDROXYL +OS 21.427 !ESTER O -- THIS IS BASICALLY TETRAHEDRAL +OE 21.427 !ADDED VOLUME - ESTER O -- THIS IS BASICALLY TETRAHEDRAL +OW 21.427 !WATER +OH1 21.427 +OH2 21.427 !WATER +OM 20.545 +S 15.196 +SE 15.196 !GENERAL SULFUR +SH1E 28.529 !SULFUR IN SO4 FROM PARAM19 +ST 15.196 !TETRAHEDRAL SULFUR +FE 0.411 + +END diff --git a/examples/usage/BACE_4_rec_pdbamino.rtf b/examples/usage/BACE_4_rec_pdbamino.rtf new file mode 100644 index 0000000..21d0b1d --- /dev/null +++ b/examples/usage/BACE_4_rec_pdbamino.rtf @@ -0,0 +1,4327 @@ +* ... +* ... +* Copyright (c) 1986, 1987, 1988, 1989, 1990, 1991, 1992 +* Molecular Simulations Incorporated +* Confidential and Proprietary: All Rights Reserved +* ... +* .... +* TEMPLATE FOR CREATING CHARMm RTF file +* .... +* (%_m) replaced by first 4 characters of molecule name +* in QUANTA (if used) +* .. +* Build RTF for %m +* ... +* sorted alphabetically; metals follow organics +* Atom type numbers 201-229 are reserved for special QUANTA display atom types. +* Atom type numbers 235-253 are reserved for special XPLOR Engh and Huber types +* Last current active number is 253. +* + 22 0 +MASS 170 AR 39.948 Ar ! Argon +MASS 7 B 10.81 B ! Boron +MASS 14 C 12.01100 C ! Carbonyl or Guanidinium carbon +MASS 190 C3 12.01100 C ! Carbonyl carbon in 3-membered aliphatic ring +MASS 192 C4 12.01100 C ! Carbonyl carbons in 4-membered aliphatic ring +MASS 21 C5R 12.01100 C ! Aromatic carbon in a five membered ring +MASS 248 C5W 12.01100 C ! Aromatic carbon in a five membered ring E&H +MASS 23 C5RE 13.01900 C ! Extended aromatic carbon in five membered ring +MASS 28 C5RP 12.01100 C ! for Aryl-Aryl bond between C5R rings +MASS 189 C5RQ 12.01100 C ! for second Ar-Ar bond between C5RP rings (ortho) +MASS 22 C6R 12.01100 C ! Aromatic carbon in a six membered ring +MASS 243 CF 12.01100 C ! Aromatic carbon in 6 membered ring trp E&H +MASS 251 CY 12.01100 C ! Aromatic carbon in 6 membered ring tyr E&H +MASS 252 CY2 12.01100 C ! Aromatic carbon in 6 membered ring tyr E&H +MASS 24 C6RE 13.01900 C ! Extended aromatic carbon in six membered ring +MASS 244 CR1E 13.01900 C ! Extended aromatic carbon six membered ring E&H +MASS 250 CR1W 12.01100 C ! Extended aromatic carbon six ring trp E&H +MASS 29 C6RP 12.01100 C ! for Aryl-Aryl bond between C6R rings +MASS 194 C6RQ 12.01100 C ! Carbon of C6RP type ortho to C6RP pair +MASS 230 CF1 12.01100 C ! Carbon with one Fluorine +MASS 231 CF2 12.01100 C ! Carbon with two Fluorines +MASS 232 CF3 12.01100 C ! Carbons with three Fluorines +MASS 11 CH1E 13.01900 C ! Extended atom carbon with one hydrogen +MASS 12 CH2E 14.02700 C ! Extended atom carbon with two hydrogens +MASS 246 CH2P 14.02700 C ! Extended atom carbon with two h - pro E&H +MASS 237 CH2G 14.02700 C ! Extended atom carbon with two hydrogens E&H +MASS 13 CH3E 15.03500 C ! Extended atom carbon with three hydrogens +MASS 15 CM 12.01100 C ! Carbonmonoxide, or other triply bonded, carbon +MASS 199 CP3 12.01100 C ! Carbon on nitrogen in proline ring +MASS 197 CPH1 12.01100 C ! CG and CD2 carbons in histidine ring +MASS 238 C5 12.01100 C ! CG carbons in histidine ring E&H +MASS 239 CR1H 13.01900 C ! CD2 carbons in histidine ring E&H +MASS 198 CPH2 13.01900 C ! CE1 carbon in histidine ring +MASS 240 CRHH 13.01900 C ! CE1 carbon in histidine ring E&H +MASS 195 CQ66 12.01100 C ! Third adjacent pair of CR66 types in fused rings +MASS 25 CR55 12.01100 C ! Aromatic carbon-merged five membered rings +MASS 26 CR56 12.01100 C ! Aromatic carbon-merged five/six membered rings +MASS 249 CW 12.01100 C ! Aromatic carbon-merged five/six membered rings +MASS 27 CR66 12.01100 C ! Aromatic carbon-merged six membered rings +MASS 196 CS66 12.01100 C ! Second adjacent pair of CR66 types in fused rings +MASS 10 CT 12.01100 C ! Aliphatic carbon (tetrahedral) +MASS 191 CT3 12.01100 C ! in 3-membered aliphatic ring, usually tetrahedral +MASS 193 CT4 12.01100 C ! in 4-membered aliphatic ring, usually tetrahedral +MASS 16 CUA1 12.01100 C ! Carbon in double bond, first pair +MASS 17 CUA2 12.01100 C ! Carbon in double bond, second conjugated pair +MASS 20 CUA3 12.01100 C ! Carbon in double bond, third conjugated pair +MASS 18 CUY1 12.01100 C ! Carbon in triple bond, first pair +MASS 19 CUY2 12.01100 C ! Carbon in triple bond, second conjugated pair +MASS 1 H 1.00800 H ! Hydrogen bonding hydrogen (neutral group) +MASS 3 HA 1.00800 H ! Aliphatic or aromatic hydrogen +MASS 2 HC 1.00800 H ! Hydrogen bonding hydrogen (charged group) +MASS 168 HE 4.00260 He ! Helium +MASS 9 HMU 1.00800 H ! Mu-bonded hydrogen for metals and boron-hydride +MASS 8 HO 1.00800 H ! Hydrogen on an alcohol oxygen +MASS 4 HT 1.00800 H ! TIPS3P water model hydrogen +MASS 171 KR 83.80 Kr ! Krypton +MASS 5 LP 0.0 ! ST2 lone pair +MASS 31 N 14.00670 N ! Nitrogen; planar-valence of 3, i.e. nitrile, etc. +MASS 235 NH1 14.00670 N ! Nitrogen; planar-valence of 3 E&H - peptide +MASS 236 NH2 14.00670 N ! Nitrogen; planar-valence of 3 E&H - amide +MASS 241 NH3 14.00670 N ! Nitrogen; E&H - amino +MASS 245 NPX 14.00670 N ! Proline nitrogen, or similar E&H +MASS 234 N3 14.00670 N ! Nitrogen in a three membered ring +MASS 34 N5R 14.00670 N ! Nitrogen in a five membered aromatic ring +MASS 30 N5RP 14.00670 N ! for Ar-Ar bond between five membered rings +MASS 35 N6R 14.00670 N ! Nitrogen in a six membered aromatic ring +MASS 39 N6RP 14.00670 N ! for Aryl-Aryl bond between six membered rings +MASS 37 NC 14.00670 N ! Charged guanidinium-type nitrogen +MASS 186 NC2 14.00670 N ! for neutral guanidinium group - Arg sidechain +MASS 169 NE 20.179 Ne ! Neon +MASS 38 NO2 14.00670 N ! Nitrogen in nitro, or related, group +MASS 32 NP 14.00670 N ! Nitrogen in peptide, amide, or related, group +MASS 183 NR1 14.00670 N ! Protonated nitrogen in neutral histidine ring +MASS 184 NR2 14.00670 N ! Unprotonated nitrogen in neutral histidine ring +MASS 185 NR3 14.00670 N ! Nitrogens in charged histidine ring +MASS 182 NR55 14.00670 N ! N at fused bond between two 5-membered aromatics +MASS 180 NR56 14.00670 N ! N at fused bond between 5 and 6-membered aryls +MASS 181 NR66 14.00670 N ! N at fused bond between two 6-membered aromatics +MASS 36 NT 14.00670 N ! Nitrogen (tetrahedral), i.e. Amine, etc. +MASS 33 NX 14.00670 N ! Proline nitrogen, or similar +MASS 40 O 15.99940 O ! Carbonyl oxygen for amides, or related structures +MASS 56 O2M 15.99940 O ! Oxygen in Si-O-Al or Al-O-Al bond +MASS 52 O5R 15.99940 O ! Oxygen in 5 membered aromatic ring-radicals, etc. +MASS 53 O6R 15.99940 O ! Oxygen in 6 membered aromatic ring-radicals, etc. +MASS 41 OA 15.99940 O ! Carbonyl oxygen for aldehydes, or related +MASS 51 OAC 15.99940 O ! Carbonyl oxygen for acids, or related +MASS 43 OC 15.99940 O ! Charged oxygen +MASS 50 OE 15.99940 O ! Ether oxygen / Acetal oxygen +MASS 47 OH2 15.99940 O ! ST2 water model oxygen +MASS 42 OK 15.99940 O ! Carbonyl oxygen for ketones, or related +MASS 48 OM 15.99940 O ! Carbonmonoxide, or other triply bonded, oxygen +MASS 49 OS 15.99940 O ! Ester oxygen +MASS 57 OSH 0.00000 O ! Massless O for zeolites, or related cage cmpds. +MASS 55 OSI 15.99940 O ! Oxygen in Si-O-Si bond +MASS 45 OT 15.99940 O ! Hydroxyl oxygen (tetrahedral) or Ionizable acid +MASS 247 OH1 15.99940 O ! Hydroxyl oxygen (tetrahedral) E&H +MASS 46 OW 15.99940 O ! TIP3P water model oxygen +MASS 64 P6R 30.9738 P ! Phosphorous in aromatic 6-membered ring +MASS 61 PO3 30.9738 P ! Phosphorous bonded to three oxygens +MASS 62 PO4 30.9738 P ! Phosphorous bonded to four oxygens +MASS 60 PT 30.9738 P ! Phosphorous, general; usually tetrahedral +MASS 63 PUA1 30.9738 P ! Phosphorous double bond +MASS 233 PUY1 30.9738 P ! Triple bonded phosphorus +MASS 173 RN 222.0 Rn ! Radon +MASS 72 S5R 32.0600 S ! Sulphur in a five membered aromatic ring +MASS 73 S6R 32.0600 S ! Sulphur in a six membered aromatic ring +MASS 74 SE 32.060 S ! Thioether sulphur +MASS 242 SM 32.060 S ! Thioether sulphur E&H +MASS 253 S 32.060 S ! Thioether sulphur E&H +MASS 71 SH1E 33.06800 S ! Extended atom sulphur with one hydrogen +MASS 75 SK 32.060 S ! Thioketone sulphur +MASS 76 SO1 32.0600 S ! Sulphur bonded to one oxygen +MASS 77 SO2 32.0600 S ! Sulphur bonded to two oxygens +MASS 78 SO3 32.0600 S ! Sulphur bonded to three oxygens +MASS 79 SO4 32.0600 S ! Sulphur bonded to four oxygens +MASS 70 ST 32.06000 S ! Sulphur, general; usually tetrahedral +MASS 131 XAT 210.0 At ! Astatine +MASS 94 XBR 79.904 Br ! Bromine +MASS 93 XCL 35.45300 Cl ! Chlorine +MASS 172 XE 131.29 Xe ! Xenon +MASS 92 XF 18.99840 F ! Fluorine +MASS 95 XI 126.9045 I ! Iodine +MASS 126 MAC 227.0278 Ac ! Actinium +MASS 111 MAG 107.868 Ag ! Silver +MASS 91 MAL 26.9815 Al ! ALuminum +MASS 159 MAM 243.0 Am ! Americium +MASS 101 MAS 74.9216 As ! Arsenic +MASS 119 MAU 196.08 Au ! Gold +MASS 115 MBA 137.33 Ba ! Barium +MASS 6 MBE 9.01218 Be ! Beryllium +MASS 122 MBI 208.9804 Bi ! Bismuth +MASS 161 MBK 247.0 Bk ! Berkelium +MASS 84 MCA 40.080 Ca ! Calcium +MASS 112 MCD 112.41 Cd ! Cadmium +MASS 124 MCE 140.12 Ce ! Cerium +MASS 162 MCF 251.0 Cf ! Californium +MASS 160 MCM 247.0 Cm ! Curium +MASS 99 MCO 58.9332 Co ! Cobalt +MASS 98 MCR 51.996 Cr ! Chromium +MASS 89 MCS 132.9054 Cs ! Cesium +MASS 96 MCU 63.546 Cu ! Copper +MASS 150 MDY 162.50 Dy ! Dysprosium +MASS 152 MER 167.26 Er ! Erbium +MASS 163 MES 252.0 Es ! Einsteinium +MASS 147 MEU 151.96 Eu ! Europium +MASS 164 MFM 257.0 Fm ! Fermium +MASS 86 FE 55.847 Fe ! Iron +MASS 142 MFR 223.0 Fr ! Francium +MASS 135 MGA 69.72 Ga ! Gallium +MASS 148 MGD 157.25 Gd ! Gadolinium +MASS 136 MGE 72.59 Ge ! Germanium +MASS 175 MHA 262.0 Ha ! Hahnium +MASS 138 MHF 178.49 Hf ! Hafnium +MASS 120 MHG 200.59 Hg ! Mercury +MASS 151 MHO 164.9304 Ho ! Holmium +MASS 137 MIN 114.82 In ! Indium +MASS 140 MIR 192.22 Ir ! Iridium +MASS 83 MK 39.098 K ! Potassium +MASS 123 MLA 138.9055 La ! Lanthanum +MASS 80 MLI 6.941 Li ! Lithium +MASS 167 MLR 260.0 Lr ! Lawrencium +MASS 155 MLU 174.967 Lu ! Lutetium +MASS 165 MMD 258.0 Md ! Medelevium +MASS 82 MMG 24.305 Mg ! Magnesium +MASS 85 MMN 54.938 Mn ! Manganese +MASS 107 MMO 95.94 Mo ! Molybdenum +MASS 81 MNA 22.9898 Na ! Sodium +MASS 106 MNB 92.9064 Nb ! Niobium +MASS 144 MND 144.24 Nd ! Neodymium +MASS 100 MNI 58.69 Ni ! Nickel +MASS 166 MNO 259.0 No ! Nobelium +MASS 157 MNP 237.0482 Np ! Neptunium +MASS 117 MOS 190.2 Os ! Osmium +MASS 156 MPA 231.0359 Pa ! Protactinium +MASS 121 MPB 207.2 Pb ! Lead +MASS 110 MPD 106.42 Pd ! Palladium +MASS 145 MPM 145.0 Pm ! Promethium +MASS 130 MPO 209.0 Po ! Polonium +MASS 125 MPR 140.9077 Pr ! Praseodymium +MASS 118 MPT 195.08 Pt ! Platinum +MASS 158 MPU 244.0 Pu ! Plutonium +MASS 143 MRA 226.0254 Ra ! Radium +MASS 88 MRB 85.4678 Rb ! Rubidium +MASS 176 MRE 186.31 Re ! Rhenium +MASS 174 MRF 261.0 Rf ! Rutherfordium/Kurchatovium +MASS 109 MRH 102.9055 Rh ! Rhodium +MASS 108 MRU 101.07 Ru ! Ruthenium +MASS 114 MSB 121.75 Sb ! Antimony +MASS 133 MSC 44.9559 Sc ! Scandium +MASS 102 MSE 78.96 Se ! Selenium +MASS 90 MSI 28.0855 Si ! Silicon +MASS 177 MSIU 28.08550 Si ! Silicon when as double bond +MASS 146 MSM 150.36 Sm ! Samarium +MASS 113 MSN 118.69 Sn ! Tin +MASS 103 MSR 87.62 Sr ! Strontium +MASS 139 MTA 180.9479 Ta ! Tantalum +MASS 149 MTB 158.9254 Tb ! Terbium +MASS 132 MTC 98.0 Tc ! Technetium +MASS 129 MTE 127.60 Te ! Tellurium +MASS 127 MTH 232.0381 Th ! Thorium +MASS 134 MTI 47.88 Ti ! Titanium +MASS 141 MTL 204.383 Tl ! Thallium +MASS 153 MTM 168.9342 Tm ! Thulium +MASS 128 MU 238.0289 U ! Uranium +MASS 97 MV 50.9415 V ! Vanadium +MASS 116 MW 183.85 W ! Tungsten +MASS 104 MY 88.9059 Y ! Yttrium +MASS 154 MYB 173.04 Yb ! Ytterbium +MASS 87 MZN 65.38 Zn ! Zinc +MASS 105 MZR 91.22 Zr ! Zirconium + +DECL -CA +DECL -C +DECL -O +DECL -N +DECL +N +DECL +H +DECL +CA +DECL +CB +DECL +CG +DECL +CD +DECL +CE +DECL +CZ + + + +AUTOGENERATE ANGLES DIHE +DEFA FIRS NTER LAST CTER + +RESI ZN2 2.00 ! Zinc ion +GROUP +ATOM ZN MZN 2.00 +PATCHING FIRST NONE LAST NONE + +RESI ZN 2.00 ! Zinc ion, alt +GROUP +ATOM ZN MZN 2.00 +PATCHING FIRST NONE LAST NONE + +RESI CAL 2.00 ! Calcium ion +GROUP +ATOM CAL MCA 2.00 +PATCHING FIRST NONE LAST NONE + +RESI CA 2.00 ! Calcium ion, alt +GROUP +ATOM CA MCA 2.00 +PATCHING FIRST NONE LAST NONE + +! +! The following residue definitions comprise the 20 naturally occurring +! amino acids +! + +RESI ALA 0.00 ! Alanine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 + +RESI ARG 1.00 ! Arginine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH2E 0.10 +ATOM NE NP -0.40 +ATOM HE H 0.30 +ATOM CZ C 0.50 +GROU +ATOM NH1 NC -0.45 +ATOM HH11 HC 0.35 +ATOM HH12 HC 0.35 +GROU +ATOM NH2 NC -0.45 +ATOM HH21 HC 0.35 +ATOM HH22 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD NE NE HE +BOND NE CZ CZ NH1 CZ NH2 NH1 HH11 NH1 HH12 +BOND NH2 HH21 NH2 HH22 +IMPH N -C CA H C CA +N O CA N C CB +IMPH NE CD CZ HE CZ NH1 NH2 NE NH1 HH12 HH11 CZ +IMPH NH2 HH22 HH21 CZ +DONO H N +DONO HE NE +DONO HH11 NH1 +DONO HH12 NH1 +DONO HH21 NH2 +DONO HH22 NH2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD NE CZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD NE CZ NH1 0.0000 0.00 180.00 0.00 0.0000 +IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 +IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 +IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 +IC HH21 CZ *NH2 HH22 0.0000 0.00 180.00 0.00 0.0000 + +RESI ARGN 0.00 ! Neutral arginine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH2E 0.10 +ATOM NE NP -0.40 +ATOM HE H 0.30 +ATOM CZ C -0.20 +GROU +ATOM NH1 NC -0.45 +ATOM HH11 HC 0.35 +ATOM HH12 HC 0.35 +GROU +ATOM NH2 NC -0.30 +ATOM HH21 HC 0.25 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD NE NE HE +BOND NE CZ CZ NH1 CZ NH2 NH1 HH11 NH1 HH12 +BOND NH2 HH21 +IMPH N -C CA H C CA +N O CA N C CB +IMPH NE CD CZ HE CZ NH1 NH2 NE NH1 HH12 HH11 CZ +DONO H N +DONO HE NE +DONO HH11 NH1 +DONO HH12 NH1 +DONO HH21 NH2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD NE CZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD NE CZ NH1 0.0000 0.00 180.00 0.00 0.0000 +IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 +IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 +IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 + +RESI ASN 0.00 ! Asparagine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG C 0.55 +ATOM OD1 O -0.55 +GROU +ATOM ND2 NP -0.60 +ATOM HD21 H 0.30 +ATOM HD22 H 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD1 CG ND2 ND2 HD21 +BOND ND2 HD22 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG OD1 ND2 CB ND2 HD21 HD22 CG +! inverted for new IMPH rules +! IMPH CG ND2 CB OD1 ND2 HD21 HD22 CG +DONO H N +DONO HD21 ND2 +DONO HD22 ND2 +ACCE OD1 CG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 +IC OD1 CB *CG ND2 0.0000 0.00 180.00 0.00 0.0000 +IC OD1 CG ND2 HD21 0.0000 0.00 180.00 0.00 0.0000 +IC HD21 CG *ND2 HD22 0.0000 0.00 180.00 0.00 0.0000 + +RESI ASP -1.00 ! Aspartic acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C 0.14 +ATOM OD1 OC -0.57 +ATOM OD2 OC -0.57 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD1 CG OD2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG OD1 OD2 CB +DONO H N +ACCE OD1 CG +ACCE OD2 CG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 +IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 + + +RESI ASPH 0.00 ! Aspartic acid - Protonated +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C 0.70 +ATOM OD1 OAC -0.55 +ATOM OD2 OT -0.40 +ATOM HD H 0.25 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD1 CG OD2 OD2 HD +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG OD1 OD2 CB +DONO H N +DONO HD OD2 +ACCE OD1 CG +ACCE OD2 CG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 +IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG OD2 HD 0.0000 0.00 180.00 0.00 0.0000 + +RESI CYS 0.00 ! Cysteine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.19 +ATOM SG SH1E -0.19 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB SG +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB SG 0.0000 0.00 -170.00 0.00 0.0000 +IC C CA CB SG 0.0000 0.00 65.00 0.00 0.0000 + +RESI GLN 0.00 ! Glutamine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD C 0.55 +ATOM OE1 O -0.55 +GROU +ATOM NE2 NP -0.60 +ATOM HE21 H 0.30 +ATOM HE22 H 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD OE1 CD NE2 +BOND NE2 HE21 NE2 HE22 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CD OE1 NE2 CG NE2 HE21 HE22 CD +! inverted for new IMPH rules +! IMPH CD NE2 CG OE1 NE2 HE21 HE22 CD +DONO H N +DONO HE21 NE2 +DONO HE22 NE2 +ACCE OE1 CD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CG *CD NE2 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CD NE2 HE21 0.0000 0.00 180.00 0.00 0.0000 +IC HE21 CD *NE2 HE22 0.0000 0.00 180.00 0.00 0.0000 + +RESI GLU -1.00 ! Glutamic acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.00 +ATOM CD C 0.14 +ATOM OE1 OC -0.57 +ATOM OE2 OC -0.57 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD OE1 CD OE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CD OE1 OE2 CG +DONO H N +ACCE OE1 CD +ACCE OE2 CD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CG *CD OE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI GLUH 0.00 ! Glutamic acid-Protonated +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.00 +ATOM CD C 0.70 +ATOM OE1 OAC -0.55 +ATOM OE2 OT -0.40 +ATOM HE H 0.25 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD OE1 CD OE2 +BOND OE2 HE +IMPH N -C CA H C CA +N O CA N C CB +IMPH CD OE2 OE1 CG +DONO H N +DONO HE OE2 +ACCE OE1 CD +ACCE OE2 CD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD OE2 0.0000 0.00 180.00 0.00 0.0000 +IC OE2 CG *CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD OE2 HE 0.0000 0.00 180.00 0.00 0.0000 + +RESI GLY 0.00 ! Glycine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E 0.10 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +IMPH N -C CA H C CA +N O +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +PATC FIRS GLYP LAST CGLY + +RESI HIS 0.00 ! Histidine (uncharged with proton on nd1) +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM HD1 H 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM CE1 C5RE 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG ND1 CG CD2 ND1 HD1 +BOND ND1 CE1 CD2 NE2 CE1 NE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO H N +DONO HD1 ND1 +ACCE NE2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 + +RESI ILE 0.00 ! Isoleucine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH1E 0.00 +ATOM CG2 CH3E 0.00 +GROU +ATOM CG1 CH2E 0.00 +ATOM CD1 CH3E 0.00 !DB changed to CD1 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG1 CB CG2 CG1 CD1 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CB CG1 CG2 CA +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG1 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG1 CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CG1 CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 + +RESI LEU 0.00 ! Leucine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH1E 0.00 +ATOM CD1 CH3E 0.00 +ATOM CD2 CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD2 CD1 CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CB *CG CD2 0.0000 0.00 120.00 0.00 0.0000 + +RESI LYS 1.00 ! Lysine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +ATOM CD CH2E 0.00 +GROU +ATOM CE CH2E 0.25 +ATOM NZ NT -0.30 +ATOM HZ1 HC 0.35 +ATOM HZ2 HC 0.35 +ATOM HZ3 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD CE CE NZ +BOND NZ HZ1 NZ HZ2 NZ HZ3 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HZ1 NZ +DONO HZ2 NZ +DONO HZ3 NZ +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 +IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 + +RESI LYSN 0.00 ! Neutral Lysine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +ATOM CD CH2E 0.00 +GROU +ATOM CE CH2E 0.00 +ATOM NZ NT -0.30 +ATOM HZ1 H 0.15 +ATOM HZ2 H 0.15 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD CE CE NZ +BOND NZ HZ1 NZ HZ2 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HZ1 NZ +DONO HZ2 NZ +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 + +RESI MET 0.00 ! Methionine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.06 +ATOM SD SE -0.12 +ATOM CE CH3E 0.06 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG SD SD CE +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG SD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG SD CE 0.0000 0.00 180.00 0.00 0.0000 + +RESI PHE 0.00 ! Phenylalanine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C6R 0.00 +ATOM CD1 C6RE 0.00 +ATOM CD2 C6RE 0.00 +GROU +ATOM CE1 C6RE 0.00 +ATOM CE2 C6RE 0.00 +ATOM CZ C6RE 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 CD1 CE1 +BOND CD2 CE2 CE1 CZ CE2 CZ +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD1 CE1 CZ CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 +IMPH CZ CE2 CD2 CG CE2 CD2 CG CD1 CD2 CG CD1 CE1 +IMPH CG CD1 CD2 CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 +IC CA CB CG CD1 0.0000 0.00 90.00 0.00 0.0000 +IC CD1 CB *CG CD2 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CG CD1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.00 0.0000 + +RESI PRO 0.00 ! Proline +GROU +ATOM N NX -0.25 +ATOM CD CH2E 0.10 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N CD +BOND CA CB CB CG CG CD +IMPH N -C CA CD C CA +N O CA N C CB +ACCE O C +IC -C CA *N CD 0.0000 0.00 180.00 108.00 0.0000 +IC -C N CA C 0.0000 0.00 -75.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 +IC CA CB CG CD 0.0000 0.00 0.00 108.00 0.0000 !DB fix +PATC FIRS PROP + +RESI SER 0.00 ! Serine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.25 +ATOM OG OT -0.65 +ATOM HG HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB OG OG HG +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HG OG +ACCE OG +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB OG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB OG HG 0.0000 0.00 180.00 0.00 0.0000 + + +RESI SEP -2.00 ! Phosphoserine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM OG OS -0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +GROU +ATOM P PO4 1.10 +ATOM O1P OC -0.90 +ATOM O2P OC -0.90 +ATOM O3P OC -0.90 +BOND N CA CA C C +N C O N H +BOND CA CB CB OG OG P +BOND P O1P P O2P P O3P +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE OG +ACCE O C +ACCE O1P O2P +ACCE O3P +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB OG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB OG P 0.0000 0.00 180.00 0.00 0.0000 +IC CB OG P O1P 0.0000 0.00 0.0 0.00 0.0000 +IC CB OG P O2P 0.0000 0.00 0.0 0.00 0.0000 +IC CB OG P O3P 0.0000 0.00 0.0 0.00 0.0000 + +RESI THR 0.00 ! Threonine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH1E 0.25 +ATOM OG1 OT -0.65 +ATOM HG1 HO 0.40 +GROU +ATOM CG2 CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB OG1 CB CG2 OG1 HG1 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CB OG1 CG2 CA +DONO H N +DONO HG1 OG1 +ACCE OG1 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB OG1 0.0000 0.00 180.00 0.00 0.0000 +IC OG1 CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 +IC CA CB OG1 HG1 0.0000 0.00 180.00 0.00 0.0000 + +RESI TRP 0.00 ! Tryptophan +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG C5R -0.03 +ATOM CD2 CR56 0.10 +ATOM CE2 CR56 -0.04 +ATOM CE3 C6RE -0.03 +GROU +ATOM CD1 C5RE 0.06 +ATOM NE1 N5R -0.36 +ATOM HE1 H 0.30 +GROU +ATOM CZ2 C6RE 0.00 +ATOM CZ3 C6RE 0.00 +ATOM CH2 C6RE 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 CD1 NE1 +BOND CD2 CE2 NE1 HE1 NE1 CE2 CD2 CE3 CE2 CZ2 +BOND CE3 CZ3 CZ2 CH2 CZ3 CH2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD1 CD2 CB NE1 CD1 CE2 HE1 CD2 CE2 CZ2 CH2 +IMPH CE2 CZ2 CH2 CZ3 CZ2 CH2 CZ3 CE3 CH2 CZ3 CE3 CD2 +IMPH CZ3 CE3 CD2 CE2 CE3 CD2 CE2 CZ2 CG CD1 NE1 CE2 +IMPH CD1 NE1 CE2 CD2 NE1 CE2 CD2 CG CE2 CD2 CG CD1 +IMPH CD2 CG CD1 NE1 CD2 CG CE3 CE2 CE2 NE1 CZ2 CD2 +DONO H N +DONO HE1 NE1 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CG CD1 NE1 0.0000 0.00 0.00 0.00 0.0000 +IC CE2 CD1 *NE1 HE1 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CG *CD2 CE3 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CD2 CE3 CZ3 0.0000 0.00 0.00 0.00 0.0000 +IC CE3 CD2 CE2 CZ2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CE2 CZ2 CH2 0.0000 0.00 0.00 0.00 0.0000 + +RESI TYR 0.00 ! Tyrosine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG C6R 0.00 +GROU +ATOM CD1 C6RE 0.00 +ATOM CE1 C6RE 0.00 +GROU +ATOM CD2 C6RE 0.00 +ATOM CE2 C6RE 0.00 +GROU +ATOM CZ C6R 0.25 +ATOM OH OT -0.65 +ATOM HH HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD1 CG CD2 CD1 CE1 +BOND CD2 CE2 CE1 CZ CE2 CZ CZ OH OH HH +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG CD1 CD2 CB CZ CE1 CE2 OH CG CD1 CE1 CZ +IMPH CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 CZ CE2 CD2 CG +IMPH CE2 CD2 CG CD1 CD2 CG CD1 CE1 +DONO H N +DONO HH OH +ACCE OH +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 +IC CA CB CG CD1 0.0000 0.00 90.00 0.00 0.0000 +IC CD1 CB *CG CD2 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG CD1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.00 0.0000 +IC CE2 CE1 *CZ OH 0.0000 0.00 180.00 0.00 0.0000 +IC CE1 CZ OH HH 0.0000 0.00 180.00 0.00 0.0000 + +RESI VAL 0.00 ! Valine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH1E 0.00 +ATOM CG1 CH3E 0.00 +ATOM CG2 CH3E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG1 CB CG2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CB CG2 CG1 CA +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG1 0.0000 0.00 180.00 0.00 0.0000 +IC CG1 CA *CB CG2 0.0000 0.00 120.00 0.00 0.0000 + +RESI HSC 1.00 ! Protonated HIS +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.10 +ATOM CG C5R 0.15 +ATOM CD2 C5RE 0.20 +GROU +ATOM ND1 N5R -0.30 +ATOM HD1 H 0.35 +GROU +ATOM CE1 C5RE 0.45 +GROU +ATOM NE2 N5R -0.30 +ATOM HE2 H 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG ND1 CG CD2 ND1 HD1 +BOND ND1 CE1 CD2 NE2 CE1 NE2 NE2 HE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 NE2 CD2 CE1 HE2 +DONO H N +DONO HD1 ND1 +DONO HE2 NE2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI HSD 0.00 ! Histidine isomer ( proton at ne2 ) +GROUP +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM CE1 C5RE 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM HE2 H 0.30 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG ND1 CG CD2 ND1 CE1 +BOND CD2 NE2 CE1 NE2 NE2 HE2 +IMPH N -C CA H C CA +N O CA N C CB +IMPH CG ND1 CD2 CB NE2 CE1 CD2 HE2 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO H N +DONO HE2 NE2 +ACCE ND1 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI ACE 0.00 +GROUP +ATOM C C 0.55 +ATOM O O -0.55 +ATOM CH3 CH3E 0.00 +BOND CH3 C C O C +N +IMPH C CH3 +N O +IC CH3 C +N +CA 0.00 0.00 180.00 0.00 0.00 +IC CH3 +N *C O 0.00 0.00 180.00 0.00 0.00 +PATCH FIRST NONE + +RESI PCA 0.00 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CD C 0.55 +ATOM OE O -0.55 +GROU +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N CD +BOND CA CB CB CG CG CD +BOND N H CD OE +IMPH N -C CA CD C CA +N O CA N C CB +IMPH CD N CG OE +ACCE O C +ACCE OE CD +IC -C CA *N CD 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 -75.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 +IC CA CB CG CD 0.0000 0.00 0.00 108.00 0.0000 +IC CA CD *N H 0.0000 0.00 180.00 0.00 0.0000 +IC N CG *CD OE 0.0000 0.00 180.00 0.00 0.0000 +PATC FIRS NONE LAST NONE + +RESI HYL 1.00 ! Hydroxylysine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH1E 0.25 +ATOM OD2 OT -.65 +ATOM HD2 HO 0.40 +GROU +ATOM CE CH2E 0.25 +ATOM NZ NT -0.30 +ATOM HZ1 HC 0.35 +ATOM HZ2 HC 0.35 +ATOM HZ3 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD CE CE NZ +BOND NZ HZ1 NZ HZ2 NZ HZ3 CD OD2 OD2 HD2 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HZ1 NZ +DONO HZ2 NZ +DONO HZ3 NZ +DONO HD2 OD2 +ACCE OD2 +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 +IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 +IC CE CG *CD OD2 0.0000 0.00 240.00 0.00 0.0000 +IC CG CD OD2 HD2 0.0000 0.00 180.00 0.00 0.0000 + +RESI HYP 0.00 ! Hydroxyproline +GROU +ATOM N NX -0.25 +ATOM CD1 CH2E 0.10 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH1E 0.25 +ATOM OD2 OT -.65 +ATOM HD21 HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N CD1 +BOND CA CB CB CG CG CD1 CG OD2 OD2 HD21 +IMPH N -C CA CD1 C CA +N O CA N C CB +IMPH CG CB CD1 OD2 +ACCE O C +ACCE OD2 +IC -C CA *N CD1 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 -60.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC C N *CA CB 0.0000 0.00 -120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 +IC CB CG OD2 HD21 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CB *CG OD2 0.0000 0.00 240.00 0.00 0.0000 +PATC FIRS HPRP + +RESI HSE 0.00 ! Homoserine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.25 +ATOM OD OT -0.65 +ATOM HD HO 0.40 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG OD OD HD +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HD OD +ACCE OD +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG OD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG OD HD 0.0000 0.00 180.00 0.00 0.0000 + +RESI ORN 1.00 ! Ornithine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM CD CH2E 0.25 +ATOM NE NT -0.30 +ATOM HE1 HC 0.35 +ATOM HE2 HC 0.35 +ATOM HE3 HC 0.35 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG CD CD NE +BOND NE HE1 NE HE2 NE HE3 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +DONO HE1 NE +DONO HE2 NE +DONO HE3 NE +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 +IC CG CD NE HE1 0.0000 0.00 180.00 0.00 0.0000 +IC HE1 CD *NE HE2 0.0000 0.00 120.00 0.00 0.0000 +IC HE2 CD *NE HE3 0.0000 0.00 120.00 0.00 0.0000 + +RESI PEN 0.00 ! Penicillamine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CT 0.19 +ATOM CG1 CH3E 0.0 +ATOM CG2 CH3E 0.0 +ATOM SG SH1E -0.19 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB SG CB CG1 CB CG2 +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB SG 0.0000 0.00 180.00 0.00 0.0000 +IC SG CA *CB CG1 0.0000 0.00 120.00 0.00 0.0000 +IC SG CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 + +RESI ALB 0.00 ! Beta alanine or 3-amino propionic acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E 0.10 +ATOM CB CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CB C C +N C O N H +BOND CA CB +IMPH N -C CA H C CB +N O +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA CB 0.0000 0.00 180.00 0.00 0.0000 +IC N CA CB C 0.0000 0.00 180.00 0.00 0.0000 +IC +N CB *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB C +N 0.0000 0.00 180.00 0.00 0.0000 +IC CB C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +PATCH FIRS GLYP + +RESI ABU 0.00 ! Gamma amino butyric acid or 4-amino butyric acid +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E 0.10 +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CG C C +N C O N H +BOND CA CB CB CG +IMPH N -C CA H C CG +N O +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA CB 0.0000 0.00 180.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG C 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CG *C O 0.0000 0.00 180.00 0.00 0.0000 +IC CG C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +PATC FIRS GLYP + +! +! Water models +! + +RESI ST2 .000 ! NOW INCLUDES THE LONE PAIRS GIVING 5 ATOMS FOR ST2 +GROUP +ATOM OX2 OH2 .00 +ATOM HX1 H .24 +ATOM HX2 H .24 +ATOM LX1 LP -.24 +ATOM LX2 LP -.24 +BOND OX2 HX1 OX2 HX2 +BOND OX2 LX1 OX2 LX2 +! NOTE: NO DONORS OR ACCEPTORS FOR ST2 +PATC FIRS NONE LAST NONE + +RESI TIP3 .000 ! TIPS3P WATER MODEL +GROUP +ATOM OH2 OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND OH2 H1 OH2 H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE +ANGL H1 OH2 H2 +!ACCE OH2 +PATC FIRS NONE LAST NONE + +RESI OH2 .000 ! WATER +GROUP +ATOM OH2 OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND OH2 H1 OH2 H2 +ACCE OH2 +PATC FIRS NONE LAST NONE + +RESI HOH 0.0000 ! TIPS3P WATER MODEL FOR PDB CRYSTAL WATERS +GROUP +ATOM O OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND O H1 O H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE +ANGL H1 O H2 +!ACCE O +PATC FIRS NONE LAST NONE + +RESI WAT 0.0000 ! TIPS3P WATER MODEL FOR PDB CRYSTAL WATERS +GROUP +ATOM O OW -0.834 +ATOM H1 HT 0.417 +ATOM H2 HT 0.417 +BOND O H1 O H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE +ANGL H1 O H2 +!ACCE O +PATC FIRS NONE LAST NONE + +! The following patches generate NH3+ and COO- on the N and C terminal ends + +PRES NTER 0.95 +! This patch is used to provide a charged NH3+ group for the N-terminal +! This patch will NOT work with a GLY or PRO as the first residue (use +! GLYP or PROP, respectively) +! This patch will NOT work dehydro amino acids as the first residue +! (use NTRU) +GROU +ATOM N NT -0.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELE ATOM H +ATOM CA CH1E 0.20 +BOND HT1 N HT2 N HT3 N +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT1 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N HT3 0.0000 0.00 240.00 0.00 0.0000 + +PRES NTRA 0.95 +! This patch is used to provide a charged NH3+ group for the N-terminal +! with angle definitions. +! This patch will NOT work with a GLY or PRO as the first residue (use +! GLYP or PROP, respectively) +! This patch will NOT work dehydro amino acids as the first residue +! (use NTRU) +GROU +ATOM N NT -0.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELE ATOM H +ATOM CA CH1E 0.20 +BOND HT1 N HT2 N HT3 N +ANGLE HT1 N CA HT2 N CA HT3 N CA +ANGLE HT1 N HT2 HT2 N HT3 HT3 N HT1 +DIHE HT1 N CA C HT1 N CA HA HT1 N CA CB +DIHE HT2 N CA C HT2 N CA HA HT2 N CA CB +DIHE HT3 N CA C HT3 N CA HA HT3 N CA CB +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT1 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N HT3 0.0000 0.00 240.00 0.00 0.0000 + +PRES GLYP 0.95 +! N-terminus for glycine +GROUP +ATOM N NT -0.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELETE ATOM H +ATOM CA CH2E 0.20 +BOND HT1 N HT2 N HT3 N +!DIHE HT1 N CA C +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 60.00 0.00 0.0000 +IC HT3 CA *N HT2 0.0000 0.00 -60.00 0.00 0.0000 + +PRES PROP 0.95 +! N-terminal patch for PRO +GROUP +ATOM N NT -0.20 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM CD CH2E 0.25 +ATOM CA CH1E 0.20 +BOND HT1 N HT2 N +!DIHE HT1 N CA C +DONO HT1 N +DONO HT2 N +IC C CA N CD 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N CD 0.0000 0.00 120.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 + +! +! C-terminal patches +! + +PRES CTER -0.85 +! This patch is used to provide a charged COO- group for the C-terminal +GROU +ATOM C C 0.14 +ATOM O OC -0.57 +ATOM OXT OC -0.57 +ATOM CA CH1E 0.15 +BOND C OXT +!DIHE N CA C OXT +IMPH C OXT O CA +ACCE O C +ACCE OXT C +IC N CA C O 0.0 0.0 180.0 0.0 0.0 +IC CA O *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CGLY -0.85 +!This patch is used to provide a charged COO- group to Gly C-terminal +GROUP +ATOM C C 0.14 +ATOM O OC -0.57 +ATOM OXT OC -0.57 +ATOM CA CH2E 0.15 +BOND C O C OXT +IMPH C OXT O CA +ACCE O C +ACCE OXT C +IC N CA C O 0.0 0.0 180.0 0.0 0.0 +IC CA O *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CTRA -0.85 +! This patch is used to provide a charged COO- group for the C-terminal +! with angle definitions +GROU +ATOM CA CH1E 0.15 +ATOM C C 0.14 +ATOM O OC -0.57 +ATOM OXT OC -0.57 +BOND C OXT +ANGLE CA C OXT OXT C O +DIHE N CA C OXT N CA C O +DIHE HA CA C OXT HA CA C O +DIHE CB CA C OXT CB CA C O +IMPH C OXT O CA +ACCE O C +ACCE OXT C +IC N CA C OXT 0.0 0.0 180.0 0.0 0.0 +IC OXT CA *C O 0.0 0.0 180.0 0.0 0.0 + +! Other patches +! + +PRES DISU 0.00 +! Patch for disulphides. Patch requires two CYS residues. +GROUP +ATOM 1CB CH2E 0.19 +ATOM 1SG ST -0.19 +GROUP +ATOM 2SG ST -0.19 +ATOM 2CB CH2E 0.19 +BOND 1SG 2SG +ANGL 1CB 1SG 2SG 1SG 2SG 2CB +DIHE 1CA 1CB 1SG 2SG +DIHE 1CB 1SG 2SG 2CB +DIHE 1SG 2SG 2CB 2CA +IC 1CA 1CB 1SG 2SG 0.0 0.0 180.0 0.0 0.0 +IC 1CB 1SG 2SG 2CB 0.0 0.0 180.0 0.0 0.0 +IC 1SG 2SG 2CB 2CA 0.0 0.0 180.0 0.0 0.0 + +PRES LTOD 0.0 +! This patch converts an L-residue to a D-residue +DELE IMPR 1CA 1N 1C 1CB +IMPR 1CA 1C 1N 1CB +DELE IC N C *CA CB +IC N C *CA CB 0.00 0.00 240.00 0.00 0.00 + +! This section is from PDBPATCHA and includes PATCH residues +! for the C and N terminal ends of polypeptide chains. +! +! N-terminal patches other than the default NH3+ patch +! + +PRES NH2 -0.05 ! Deprotonated N-terminal (NH2) +DELETE ATOM HT3 +ATOM HT1 H .15 +ATOM HT2 H .15 +ATOM N NT -.35 +ATOM CA CH1E .00 ! change atom type for CA for GLY + +PRES DEAM 0.0000 ! Removes NH3 from N-terminus altogether +! ! Wont work in SEQ BUILDER ( bad seed) +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +DELETE ATOM N +ATOM CA CH2E .00 + +PRES DCOH 0.000 ! Removes COOH from the C-terminus +! ! Not recommended for PRO or GLY +DELETE ATOM O +DELETE ATOM OXT +DELETE ATOM C +ATOM CA CH2E 0.0 +IC -C -N CA CB 0.00 0.000 -60.0 0.00 0.00 + +PRES ACCP 0.95 ! N-terminal patch for ACC residue +GROUP +ATOM N NT -.30 +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM HT3 HC 0.35 +DELETE ATOM H +ATOM CA CT 0.20 +BOND HT1 N HT2 N HT3 N +DIHE HT1 N CA C HT1 N CA CB1 +DIHE HT2 N CA C HT2 N CA CB1 +DIHE HT3 N CA C HT3 N CA CB1 +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 +IC HT3 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 + +PRES HPRP 1.00 +! N-terminal patch for HYP +GROUP +ATOM HT1 HC 0.35 +ATOM HT2 HC 0.35 +ATOM N NT -0.20 +ATOM CD1 CH2E 0.25 +ATOM CA CH1E 0.25 +BOND HT1 N HT2 N +!DIHE HT1 N CA C +DONO HT1 N +DONO HT2 N +IC C CA N CD1 0.0000 0.00 120.00 0.00 0.0000 +IC HT1 CA *N CD1 0.0000 0.00 120.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 + +PRES NTRU 0.95 +! This patch is used to provide a charged NH3+ group for the N-terminal for +! dehydro amino acids +GROU + ATOM N NT -0.30 + ATOM HT1 HC 0.35 ! Check charges + ATOM HT2 HC 0.35 + ATOM HT3 HC 0.35 + DELETE ATOM HN + ATOM CA CUA1 0.20 +BOND HT1 N HT2 N HT3 N +THET HT1 N HT2 HT2 N HT3 HT2 N CA +THET HT1 N HT3 HT1 N CA HT3 N CA +DIHE HT1 N CA C HT1 N CA CB +DIHE HT2 N CA C HT2 N CA CB +DIHE HT3 N CA C HT3 N CA CB +DONO HT1 N +DONO HT2 N +DONO HT3 N +IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 +IC HT3 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 + +PRES NTME 0.35 +! N-methyl amino terminal group +ATOM CNT CH3E 0.35 +DELETE ATOM HT3 +DELETE IC HT1 CA *N HT3 +BOND N CNT +ANGL CA N CNT HT1 N CNT HT2 N CNT +DIHE CNT N CA C CNT N CA CB +IC HT1 CA *N CNT 0.0000 0.00 240.0 0.00 0.0000 + +PRES NDME .70 +! N,N-dimethyl terminal group +ATOM CNT1 CH3E 0.35 +ATOM CNT2 CH3E 0.35 +DELETE ATOM HT2 +DELETE ATOM HT3 +DELETE IC HT1 CA *N HT2 +DELETE IC HT1 CA *N HT3 +BOND N CNT1 N CNT2 +ANGL CA N CNT1 CA N CNT2 HT1 N CNT1 HT1 N CNT2 CNT1 N CNT2 +DIHE CNT1 N CA C +DIHE CNT2 N CA C +DIHE CNT1 N CA CB +DIHE CNT2 N CA CB +IC CNT1 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 +IC CNT2 CA *N CNT1 0.0000 0.00 120.00 0.00 0.0000 + +PRES N3ME 1.05 +! N,N,N-trimethyl terminal group +ATOM CNT1 CH3E 0.35 +ATOM CNT2 CH3E 0.35 +ATOM CNT3 CH3E 0.35 +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +BOND N CNT1 N CNT2 N CNT3 +ANGL CA N CNT1 CA N CNT2 CNT3 N CNT1 CNT3 N CNT2 CNT1 N CNT2 +ANGL CA N CNT3 +DIHE CNT1 N CA C +DIHE CNT1 N CA CB +DIHE CNT2 N CA C +DIHE CNT2 N CA CB +DIHE CNT3 N CA C +DIHE CNT3 N CA CB +IC C CA N CNT1 0.0000 0.00 180.00 0.00 0.0000 +IC CNT1 CA *N CNT2 0.0000 0.00 120.00 0.00 0.0000 +IC CNT1 CA *N CNT3 0.0000 0.00 240.00 0.00 0.0000 + +PRES NFA 0.00 +! This patch replaces the N-terminal with a fatty acid amide +! C13H27 +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CT2 CH2E 0.00 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +GROUP +ATOM CT3 CH2E 0.00 +ATOM CT4 CH2E 0.00 +ATOM CT5 CH2E 0.00 +ATOM CT6 CH2E 0.00 +ATOM CT7 CH2E 0.00 +ATOM CT8 CH2E 0.00 +ATOM CT9 CH2E 0.00 +ATOM CT10 CH2E 0.00 +ATOM CT11 CH2E 0.00 +ATOM CT12 CH2E 0.00 +ATOM CT13 CH2E 0.00 +ATOM CT14 CH3E 0.00 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND CT2 CNT CNT N CNT ONT N H +BOND CT2 CT3 CT3 CT4 CT4 CT5 CT5 CT6 CT6 CT7 +BOND CT7 CT8 CT8 CT9 CT9 CT10 CT10 CT11 CT11 CT12 +BOND CT12 CT13 CT13 CT14 +ANGL CA N H CA N CNT H N CNT CT3 CT4 CT5 +ANGL CT4 CT5 CT6 CT5 CT6 CT7 CT6 CT7 CT8 +ANGL CT7 CT8 CT9 CT8 CT9 CT10 CT10 CT11 CT12 CT12 CT13 CT14 +DIHE CT2 CNT N CA +DIHE ONT CNT N CA +DIHE CT2 CNT N H +DIHE ONT CNT N H +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE ONT N CA C +DIHE ONT N CA CB +DIHE N CNT CT2 CT3 CNT CT2 CT3 CT4 CT2 CT3 CT4 CT5 +DIHE CT3 CT4 CT5 CT6 CT4 CT5 CT6 CT7 CT5 CT6 CT7 CT8 +DIHE CT6 CT7 CT8 CT9 CT7 CT8 CT9 CT10 +DIHE CT8 CT9 CT10 CT11 CT9 CT10 CT11 CT12 CT10 CT11 CT12 CT13 +DIHE CT11 CT12 CT13 CT14 +IMPH CNT CT2 N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT CT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT CT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CT3 CT4 CT5 0.0000 0.00 180.00 0.00 0.0000 +IC CT3 CT4 CT5 CT6 0.0000 0.00 180.00 0.00 0.0000 +IC CT4 CT5 CT6 CT7 0.0000 0.00 180.00 0.00 0.0000 +IC CT5 CT6 CT7 CT8 0.0000 0.00 180.00 0.00 0.0000 +IC CT6 CT7 CT8 CT9 0.0000 0.00 180.00 0.00 0.0000 +IC CT7 CT8 CT9 CT10 0.0000 0.00 180.00 0.00 0.0000 +IC CT8 CT9 CT10 CT11 0.0000 0.00 180.00 0.00 0.0000 +IC CT9 CT10 CT11 CT12 0.0000 0.00 180.00 0.00 0.0000 +IC CT10 CT11 CT12 CT13 0.0000 0.00 180.00 0.00 0.0000 +IC CT11 CT12 CT13 CT14 0.0000 0.00 180.00 0.00 0.0000 + +PRES NFAG -0.05 +! This patch replaces the N-terminal with a fatty acid amide +! C13H27 +! This patch is specific for glycine at N terminus ( otherwise use NFA) +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CT2 CH2E -0.05 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH2E .10 +GROUP +ATOM CT3 CH2E 0.00 +ATOM CT4 CH2E 0.00 +ATOM CT5 CH2E 0.00 +ATOM CT6 CH2E 0.00 +ATOM CT7 CH2E 0.00 +ATOM CT8 CH2E 0.00 +ATOM CT9 CH2E 0.00 +ATOM CT10 CH2E 0.00 +ATOM CT11 CH2E 0.00 +ATOM CT12 CH2E 0.00 +ATOM CT13 CH2E 0.00 +ATOM CT14 CH3E 0.00 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND CT2 CNT CNT N CNT ONT N H +BOND CT2 CT3 CT3 CT4 CT4 CT5 CT5 CT6 CT6 CT7 +BOND CT7 CT8 CT8 CT9 CT9 CT10 CT10 CT11 CT11 CT12 +BOND CT12 CT13 CT13 CT14 +ANGL CA N H CA N CNT H N CNT CNT CT2 CT3 CT3 CT4 CT5 + +ANGL CT4 CT5 CT6 CT5 CT6 CT7 CT6 CT7 CT8 +ANGL CT7 CT8 CT9 CT8 CT9 CT10 CT10 CT11 CT12 CT12 CT13 CT14 +DIHE CT2 CNT N CA +DIHE ONT CNT N CA +DIHE CT2 CNT N H +DIHE ONT CNT N H +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE ONT N CA C +DIHE ONT N CA CB +DIHE N CNT CT2 CT3 CNT CT2 CT3 CT4 CT2 CT3 CT4 CT5 +DIHE CT3 CT4 CT5 CT6 CT4 CT5 CT6 CT7 CT5 CT6 CT7 CT8 +DIHE CT6 CT7 CT8 CT9 CT7 CT8 CT9 CT10 +DIHE CT8 CT9 CT10 CT11 CT9 CT10 CT11 CT12 CT10 CT11 CT12 CT13 +DIHE CT11 CT12 CT13 CT14 +IMPH CNT CT2 N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT CT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT CT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CT3 CT4 CT5 0.0000 0.00 180.00 0.00 0.0000 +IC CT3 CT4 CT5 CT6 0.0000 0.00 180.00 0.00 0.0000 +IC CT4 CT5 CT6 CT7 0.0000 0.00 180.00 0.00 0.0000 +IC CT5 CT6 CT7 CT8 0.0000 0.00 180.00 0.00 0.0000 +IC CT6 CT7 CT8 CT9 0.0000 0.00 180.00 0.00 0.0000 +IC CT7 CT8 CT9 CT10 0.0000 0.00 180.00 0.00 0.0000 +IC CT8 CT9 CT10 CT11 0.0000 0.00 180.00 0.00 0.0000 +IC CT9 CT10 CT11 CT12 0.0000 0.00 180.00 0.00 0.0000 +IC CT10 CT11 CT12 CT13 0.0000 0.00 180.00 0.00 0.0000 +IC CT11 CT12 CT13 CT14 0.0000 0.00 180.00 0.00 0.0000 + +PRES NGUA 0.95 +! N terminal guanidino group +! Not to be used for proline +! change atom type for CA for GLY and edit dihedrals +ATOM CA CH1E .10 +ATOM CNT C .50 +ATOM NT2 NC -.45 +ATOM NT3 NC -.45 +ATOM HT2A HC .35 +ATOM HT2B HC .35 +ATOM HT3A HC .35 +ATOM HT3B HC .35 +ATOM N NP -.40 +ATOM H H .25 +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +BOND N H N CNT +BOND CNT NT2 CNT NT3 NT2 HT2A NT2 HT2B +BOND NT3 HT3A NT3 HT3B +ANGL CA N H CA N CNT H N CNT +ANGL N CNT NT3 N CNT NT2 NT2 CNT NT3 +ANGL HT2A NT2 HT2B HT2A NT2 CNT HT2B NT2 CNT +ANGL HT3A NT3 HT3B HT3A NT3 CNT HT3B NT3 CNT +DIHE C CA N CNT CB CA N CNT +DIHE C CA N H CB CA N H +DIHE CA N CNT NT2 H N CNT NT2 +DIHE CA N CNT NT3 H N CNT NT3 +DIHE N CNT NT2 HT2A N CNT NT2 HT2B +DIHE NT3 CNT NT2 HT2A NT3 CNT NT2 HT2B +DIHE N CNT NT3 HT3A N CNT NT3 HT3B +DIHE NT2 CNT NT3 HT3A NT2 CNT NT3 HT3B +IMPH N CNT CA H CNT NT2 NT3 N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT NT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT NT2 HT2A 0.0000 0.00 180.00 0.00 0.0000 +IC HT2A CNT *NT2 HT2B 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT NT3 HT3A 0.0000 0.00 180.00 0.00 0.0000 +IC HT3A CNT *NT3 HT3B 0.0000 0.00 180.00 0.00 0.0000 +IC NT3 NT2 *CNT N 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 +DONO H N +DONO HT2A NT2 +DONO HT2B NT2 +DONO HT3A NT3 +DONO HT3B NT3 + +PRES NFRM 0.00 +! This patch replaces the N-terminal with a formamide group +! This patch will not work with PRO, HPRO, or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM HNT HA -0.00 +! change atom type for CA for GLY +ATOM CA CH1E .10 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND HNT CNT CNT N CNT ONT N H +ANGL CA N H CA N CNT H N CNT N CNT ONT N CNT HNT +ANGL ONT CNT HNT +DIHE HNT CNT N CA +DIHE ONT CNT N CA +DIHE HNT CNT N H +DIHE ONT CNT N H +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE H N CA C +DIHE H N CA CB +! This may need to be inverted for new IMPH rules +IMPH CNT HNT N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N HNT *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC HNT CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NACT 0.00 +! This patch replaces the N-terminal with an acetamide group +! This patch will not work with PRO as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CT2 CH3E 0.00 +GROU +ATOM CNT C 0.60 +ATOM ONT O -0.55 +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND CT2 CNT CNT N CNT ONT N H +ANGL CA N H CA N CNT H N CNT N CNT ONT N CNT CT2 +ANGL ONT CNT CT2 +DIHE CT2 CNT N H +DIHE CT2 CNT N CA +DIHE ONT CNT N H +DIHE ONT CNT N CA +DIHE CNT N CA C +DIHE CNT N CA CB +DIHE H N CA C +DIHE H N CA CB +! This may need to be inverted for new IMPH rules +IMPH CNT CT2 N ONT +IMPH N CNT CA H +ACCE ONT C +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 +IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NACP -0.00 +! This patch replaces the N-terminal with an acetamide group +! Only for PROLINE as first residue +! Apply this patch ONLY after the Nter Patch PROP has been applied +GROU + ATOM CT2 CH3E 0.00 + ATOM CNT C 0.60 + ATOM ONT O -0.55 + ATOM N NX -0.25 + ATOM CA CH1E 0.10 + ATOM CG CH2E 0.10 + ATOM CD CH2E 0.00 + DELE ATOM HT1 + DELE ATOM HT2 +BOND N CNT CNT ONT CNT CT2 +ANGL CA N CNT N CNT ONT N CNT CT2 ONT CNT CT2 +ANGL CD N CNT +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT ONT +DIHE CA N CNT CT2 +DIHE CD N CNT ONT +DIHE CD N CNT CT2 +IMPH CNT CT2 N ONT +ACCE ONT CNT +IC C CA N CNT 0.00 0.00 240.00 0.00 0.00 +IC CA N CNT CT2 0.00 0.00 170.00 0.00 0.00 +IC CT2 N *CNT ONT 0.00 0.00 180.00 0.00 0.00 + +PRES NPYG 0.00 ! Converts N-terminal glutamic acid to pyroglutamic acid +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM OE O -0.55 +ATOM CD C 0.60 +ATOM CG CH2E 0.00 +ATOM CA CH1E 0.10 +DELETE ATOM HT1 +DELETE ATOM HT2 +DELETE ATOM HT3 +DELETE ATOM OE1 +DELETE ATOM OE2 +BOND N H +BOND N CD +BOND CD OE +ANGLE H N CA +ANGLE H N CD +ANGLE CA N CD +ANGLE OE CD N +ANGLE OE CD CG +ANGLE CG CD N +DIHe H N CA C +DIHe H N CA CB +DIHe CD N CA C +DIHe CD N CA CB +DIHe CG CD N CA +DIHe CG CD N H +DIHe CB CG CD N +IMPH N CA CD H +!IMPH CD OE N CG +! inverted for new IMPH rules +IMPH CD N CG OE +IC CD CA *N H 0.0 0.0000 180.0 0.0000 0.0 +IC OE CG *CD N 0.0 0.0000 180.0 0.0000 0.0 +IC CD N CA C 0.0 0.0000 -60.0 0.0000 0.0 +IC N CA CB CG 0.0 105.0000 0.0 0.0000 0.0 +IC CA CB CG CD 0.0 105.0000 0.0 105.0000 0.0 +IC CB CG CD N 0.0 105.0000 0.0 0.0000 0.0 +IC CG CD N CA 0.0 0.0000 0.0 0.0000 0.0 +DONO H N +ACCE OE + +PRES NMEC -0.05 +! This patch replaces the N-terminal with a methylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +! change atom type for CA for GLY +ATOM CA CH1E .10 +ATOM CNT C 0.70 +ATOM ONT O -.55 +ATOM OT2 OS -.40 +ATOM CT3 CH3E 0.25 +ATOM N NP -.40 +ATOM H H 0.25 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE CA N CNT ONT +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +IMPH CNT N OT2 ONT N CA CNT H +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NETC -0.05 +! This patch replaces the N-terminal with an ethylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 CH2E 0.25 +ATOM CT4 CH3E 0.00 +ATOM N NP -.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4 +IMPH CNT N OT2 ONT N CA CNT H +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NBOC -0.05 +! This patch replaces the N-terminal with a tert-butylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 CT 0.25 +ATOM CT4A CH3E 0.00 +ATOM CT4B CH3E 0.00 +ATOM CT4C CH3E 0.00 +ATOM N NP -.40 +ATOM H H .25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 +BOND CT3 CT4A CT3 CT4B CT3 CT4C +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4A +ANGL OT2 CT3 CT4B OT2 CT3 CT4C CT4A CT3 CT4B CT4B CT3 CT4C +ANGL CT4A CT3 CT4C +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4A +DIHE CNT OT2 CT3 CT4B +DIHE CNT OT2 CT3 CT4C +IMPH CNT N OT2 ONT N CA CNT H +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4A 0.0000 0.00 180.00 0.00 0.0000 +IC CT4A OT2 *CT3 CT4B 0.0000 0.00 120.00 0.00 0.0000 +IC CT4A OT2 *CT3 CT4C 0.0000 0.00 240.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NPHC -0.05 +! This patch replaces the N-terminal with a phenylester group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 C6R .25 +ATOM CT4A C6RE 0.00 +ATOM CT4B C6RE 0.00 +ATOM CT5A C6RE 0.00 +ATOM CT5B C6RE 0.00 +ATOM CT6 C6RE 0.00 +ATOM N NP -.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4A +BOND CT4A CT5A CT5A CT6 CT6 CT5B CT5B CT4B CT4B CT3 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4A +ANGL OT2 CT3 CT4B CT4A CT3 CT4B CT3 CT4A CT5A CT4A CT5A CT6 +ANGL CT5A CT6 CT5B CT6 CT5B CT4B CT5B CT4B CT3 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4A +DIHE CNT OT2 CT3 CT4B +IMPH CNT N OT2 ONT N CA CNT H CT3 CT4A CT4B OT2 +IMPH CT3 CT4A CT5A CT6 CT4A CT5A CT6 CT5B CT5A CT6 CT5B CT4B +IMPH CT6 CT5B CT4B CT3 CT5B CT4B CT3 CT4A CT4B CT3 CT4A CT5A +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4A 0.0000 0.00 90.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT4B CT4A *CT3 OT2 0.0000 0.00 180.00 0.00 0.0000 +IC CT4B CT3 CT4A CT5A 0.0000 0.00 0.00 0.00 0.0000 +IC CT5B CT4B CT3 CT4A 0.0000 0.00 0.00 0.00 0.0000 +IC CT6 CT5B CT4B CT3 0.0000 0.00 0.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +PRES NCBZ -0.05 +! This patch replaces the N-terminal with a carbobenzoxly group +! This patch will not work with PRO or GLY as the first residue +! Apply this patch ONLY after the NTER patch has been applied +GROU +ATOM CNT C 0.70 +ATOM ONT O -0.55 +ATOM OT2 OS -.40 +GROU +ATOM CT3 CH2E .25 +ATOM CT4 C6R 0.0 +ATOM CT5A C6RE 0.0 +ATOM CT6A C6RE 0.0 +ATOM CT7 C6RE 0.0 +ATOM CT6B C6RE 0.0 +ATOM CT5B C6RE 0.0 +ATOM N NP -0.40 +ATOM H H 0.25 +! change atom type for CA for GLY +ATOM CA CH1E .10 +DELE ATOM HT1 +DELE ATOM HT2 +DELE ATOM HT3 +BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4 +BOND CT4 CT5A CT5A CT6A CT6A CT7 CT7 CT6B CT6B CT5B CT5B CT4 +ANGL CA N H CA N CNT H N CNT N CNT ONT +ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4 +ANGL CT3 CT4 CT5B CT3 CT4 CT5A CT5B CT4 CT5A CT4 CT5A CT6A +ANGL CT5A CT6A CT7 CT6A CT7 CT6B CT7 CT6B CT5B CT6B CT5B CT4 +DIHE C CA N H +DIHE CB CA N H +DIHE C CA N CNT +DIHE CB CA N CNT +DIHE CA N CNT OT2 +DIHE H N CNT OT2 +DIHE H N CNT ONT +DIHE N CNT OT2 CT3 +DIHE ONT CNT OT2 CT3 +DIHE CNT OT2 CT3 CT4 +DIHE OT2 CT3 CT4 CT5A +DIHE OT2 CT3 CT4 CT5B +IMPH CNT N OT2 ONT N CA CNT H +IMPH CT4 CT5A CT5B CT3 CT5A CT6A CT7 CT6B CT6A CT7 CT6B CT5B +IMPH CT7 CT6B CT5B CT4 CT6B CT5B CT4 CT5A CT5B CT4 CT5A CT6A +ACCE ONT CNT +ACCE OT2 +DONO H N +IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 +IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 +IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CNT OT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 +IC OT2 CT3 CT4 CT5A 0.0000 0.00 90.00 0.00 0.0000 +IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 +IC CT5B CT5A *CT4 CT3 0.0000 0.00 180.00 0.00 0.0000 +IC CT5B CT4 CT5A CT6A 0.0000 0.00 0.00 0.00 0.0000 +IC CT6B CT5B CT4 CT5A 0.0000 0.00 0.00 0.00 0.0000 +IC CT7 CT6B CT5B CT4 0.0000 0.00 0.00 0.00 0.0000 +IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 + +! +! C-terminal patches other than COO- +! + +PRES COOH 0.150 ! Protonated Carboxyl (COOH) C-terminus +ATOM OXT OAC -.61 +ATOM C C .78 +ATOM O OT -.67 +ATOM HCT H .46 +ATOM CA CH1E .19 +BOND O HCT +THETA C O HCT +DIHE CA C O HCT +IC CA C O HCT 0.0000 0.00 180.0 0.00 0.0000 +DONO HCT O + +PRES CALD 0.00 +! This patch replaces the C-terminal with an aldehyde group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.23 +ATOM O OA -0.43 +ATOM HCT HA 0.20 +DELE ATOM OXT +BOND C O C HCT +ANGL CA C O CA C HCT O C HCT +DIHE N CA C O +DIHE CB CA C O +!IMPH C CA O HCT +! inverted for new IMPH rules +IMPH C CA HCT O +ACCE O C +IC N CA C HCT 0.0 0.0 0.0 0.0 0.0 +IC CA HCT *C O 0.0 0.0 180.0 0.0 0.0 + +PRES CALC 0.00 +! This patch reduces the C terminal carboxyl to an alcohol +GROU +ATOM C CH2E .25 +ATOM OCT OT -.65 +ATOM HOT HO .40 +DELETE ATOM O +DELETE ATOM OXT +BOND C OCT OCT HOT +ANGL CA C OCT C OCT HOT +DIHE N CA C OCT CA C OCT HOT +DIHE CB CA C OCT +ACCE OCT +IC N CA C OCT 0.0000 0.00 180.00 0.00 0.0000 +IC CA C OCT HOT 0.0000 0.00 180.00 0.00 0.0000 + +PRES CAMD 0.000 +! Converts the C-terminus to an amide +GROU +ATOM C C 0.55 +ATOM O O -.55 +ATOM NCT NP -.60 +ATOM HCT1 H .30 +ATOM HCT2 H .30 +DELETE ATOM OXT +BOND C O C NCT NCT HCT1 NCT HCT2 +ANGL CA C O CA C NCT +ANGL O C NCT C NCT HCT1 C NCT HCT2 HCT1 NCT HCT2 +DIHE N CA C NCT +DIHE CB CA C NCT +DIHE N CA C O +DIHE CB CA C O +DIHE CA C NCT HCT1 +DIHE CA C NCT HCT2 +DIHE O C NCT HCT1 +DIHE O C NCT HCT2 +IMPH NCT C HCT1 HCT2 C CA NCT O +ACCE O C +IC N CA C NCT 0.000 0.00 180.00 0.00 0.000 +IC NCT CA *C O 0.000 0.00 180.00 0.00 0.000 +IC CA C NCT HCT1 0.000 0.00 180.00 0.00 0.000 +IC HCT1 C *NCT HCT2 0.000 0.00 180.00 0.00 0.000 + +PRES CMAM 0.00 ! Converts the C-terminus to an N methyl-amide +GROU +ATOM C C .60 +ATOM OXT O -.55 +ATOM NCT NP -.40 +ATOM HCT1 H .25 +ATOM CTB CH3E .10 +DELETE ATOM O +BOND C OXT C NCT NCT HCT1 NCT CTB +ANGL CA C OXT CA C NCT C NCT CTB HCT1 NCT CTB C NCT HCT1 +DIHE N CA C NCT +DIHE CB CA C NCT +DIHE N CA C OXT +DIHE CB CA C OXT +DIHE CA C NCT CTB +DIHE OXT C NCT HCT1 +!IMPH NCT C HCT1 CTB +!inverted for new IMPH rules +IMPH NCT C CTB HCT1 +IMPH C NCT CA OXT +ACCE OXT C +IC N CA C NCT 0.0000 0.00 180.0 0.00 0.0000 +IC NCT CA *C OXT 0.0000 0.00 180.0 0.00 0.0000 +IC CA C NCT HCT1 0.0000 0.00 180.0 0.00 0.0000 +IC HCT1 C *NCT CTB 0.0000 0.00 180.0 0.00 0.0000 + +PRES CMES 0.000 +! This patch replaces the C-terminal with an methyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CH3E 0.25 +DELE ATOM O +BOND C OXT C OCT OCT CTB +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB +DIHE N CA C OXT +DIHE N CA C OXT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB +IMPH C CA OCT OXT +ACCE OXT C +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CETS 0.000 +! This patch replaces the C-terminal with an ethyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C .70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CH2E 0.25 +ATOM CTG CH3E 0.00 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB C OCT CTB CTG +IMPH C CA OCT OXT +ACCE OXT C +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG 0.0 0.0 180.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 + +PRES CTBS 0.000 +! This patch replaces the C-terminal with a t-butyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CT 0.25 +ATOM CTG1 CH3E 0.000 +ATOM CTG2 CH3E 0.000 +ATOM CTG3 CH3E 0.000 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG1 CTB CTG2 CTB CTG3 +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG1 OCT CTB CTG2 +ANGL OCT CTB CTG3 CTG1 CTB CTG2 CTG1 CTB CTG3 CTG2 CTB CTG3 +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB +DIHE C OCT CTB CTG1 +DIHE C OCT CTB CTG2 +DIHE C OCT CTB CTG3 +IMPH C CA OCT OXT +ACCE OXT C +ACCE OCT +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG1 0.0 0.0 180.0 0.0 0.0 +IC CTG1 OCT *CTB CTG2 0.0 0.0 120.0 0.0 0.0 +IC CTG1 OCT *CTB CTG3 0.0 0.0 240.0 0.0 0.0 + +PRES CPHS 0.00 +! This patch replaces the C-terminal with a phenyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C .70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB C6R 0.25 +ATOM CTG1 C6RE 0.00 +ATOM CTG2 C6RE 0.00 +ATOM CTD1 C6RE 0.00 +ATOM CTD2 C6RE 0.00 +ATOM CTE C6RE 0.00 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG1 CTB CTG2 CTG1 CTD1 CTG2 CTD2 +BOND CTD1 CTE CTD2 CTE +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG1 OCT CTB CTG2 +ANGL CTB CTG1 CTD1 CTG1 CTD1 CTE CTD1 CTE CTD2 CTE CTD2 CTG2 +ANGL CTD2 CTG2 CTB CTG2 CTB CTG1 +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB +DIHE C OCT CTB CTG1 +DIHE C OCT CTB CTG2 +IMPH C CA OCT OXT +IMPH CTB CTG1 CTG2 OCT +IMPH CTB CTG1 CTD1 CTE CTG1 CTD1 CTE CTD2 CTD1 CTE CTD2 CTG2 +IMPH CTE CTD2 CTG2 CTB CTD2 CTG2 CTB CTG1 CTG2 CTB CTG1 CTD1 +ACCE OXT C +ACCE OCT +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG1 0.0 0.0 90.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 +IC CTG2 CTG1 *CTB OCT 0.0 0.0 180.0 0.0 0.0 +IC CTG2 CTB CTG1 CTD1 0.0 0.0 0.0 0.0 0.0 +IC CTD2 CTG2 CTB CTG1 0.0 0.0 0.0 0.0 0.0 +IC CTE CTD2 CTG2 CTB 0.0 0.0 0.0 0.0 0.0 + +PRES CBZS 0.000 +! This patch replaces the C-terminal with a benzyl ester group +! Apply this patch ONLY after the CTER patch has been applied +GROU +ATOM C C 0.70 +ATOM OXT O -0.55 +ATOM OCT OS -0.40 +ATOM CTB CH2E 0.25 +ATOM CTG C6R 0.00 +ATOM CTD1 C6RE 0.00 +ATOM CTD2 C6RE 0.00 +ATOM CTE1 C6RE 0.00 +ATOM CTE2 C6RE 0.00 +ATOM CTZ C6RE 0.00 +DELE ATOM O +BOND C OXT C OCT OCT CTB CTB CTG CTG CTD1 CTG CTD2 CTD1 CTE1 +BOND CTD2 CTE2 CTE1 CTZ CTE2 CTZ +ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG +ANGL CTB CTG CTD1 CTB CTG CTD2 +ANGL CTG CTD1 CTE1 CTD1 CTE1 CTZ CTE1 CTZ CTE2 CTZ CTE2 CTD2 +ANGL CTE2 CTD2 CTG CTD2 CTG CTD1 +DIHE N CA C OXT +DIHE N CA C OCT +DIHE CB CA C OXT +DIHE CB CA C OCT +DIHE CA C OCT CTB C OCT CTB CTG +DIHE OCT CTB CTG CTD1 +DIHE OCT CTB CTG CTD2 +IMPH C CA OCT OXT +IMPH CTG CTD1 CTD2 CTB +IMPH CTG CTD1 CTE1 CTZ CTD1 CTE1 CTZ CTE2 CTE1 CTZ CTE2 CTD2 +IMPH CTZ CTE2 CTD2 CTG CTE2 CTD2 CTG CTD1 CTD2 CTG CTD1 CTE1 +ACCE OXT C +ACCE OCT +IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 +IC C OCT CTB CTG 0.0 0.0 180.0 0.0 0.0 +IC OCT CTB CTG CTD1 0.0 0.0 180.0 0.0 0.0 +IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 +IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 +IC CTD2 CTD1 *CTG CTB 0.0 0.0 180.0 0.0 0.0 +IC CTD2 CTG CTD1 CTE1 0.0 0.0 0.0 0.0 0.0 +IC CTE2 CTD2 CTG CTD1 0.0 0.0 0.0 0.0 0.0 +IC CTZ CTE2 CTD2 CTG 0.0 0.0 0.0 0.0 0.0 + +! +! Other patches +! +PRES CIS 0.00 +! converts trans peptide to cis +DELE IC -CA -C N CA +IC -CA -C N CA 0.00 0.000 0.00 0.000 0.00 + +PRES CH2 -.35 +! Replaces the Carbonyl group in the backbone by CH2 +DELETE ATOM O +ATOM C CH2E 0.000 +ATOM +N NT -.35 +DELE IMPH +N C +CA +H +DELETE IC C +CA *+N +H +IC C +CA *+N +H 0.000 0.000 120.00 0.00 0.000 +!IC C +CA *+N +H 0.000 0.000 240.00 0.00 0.000 + +PRES NPME 0.25 +! N-methyl (for peptides), not to be applied to the first residue +GROUP +ATOM CNME CH3E 0.250 +DELETE ATOM H +BOND N CNME +ANGL -C N CNME CNME N CA +DIHE -CA -C N CNME +DIHE -O -C N CNME +DIHE CNME N CA C +DIHE CNME N CA CB +IMPH N -C CA CNME +IC -C CA *N CNME 0.0000 0.00 180.00 0.00 0.0000 + +PRES CAME 0.10 +! Alpha methyl patch for all residues except glycine +GROU +ATOM CB2 CH3E 0.00 +ATOM CA CT 0.10 +BOND CA CB2 +ANGL CB2 CA CB N CA CB2 C CA CB2 +DIHE -C N CA CB2 +DIHE H N CA CB2 +DIHE CB2 CA C +N +IC N C *CA CB2 0.0000 0.00 240.0 0.00 0.0000 + + +PRES NTOO 0.20 +! This patch replaces the peptide nitrogen in a residue with an ester oxygen +! This patch will not work with a residue as the N-terminal +! This patch will not work with GLY as the ester residue +! This patch will not work in conjunction with any other patch on the +! ester residue (including CTER) +! This patch requires a sequence of three residues, where the second residue +! is the ester residue +GROU + ATOM -CA CH1E 0.20 + ATOM -C C 0.70 + ATOM -O OAC -0.55 +GROU + ATOM OP OS -0.40 + ATOM CA CH1E 0.25 + DELE ATOM N + DELE ATOM H +BOND -C OP OP CA +ANGL -CA -C OP -O -C OP -C OP CA OP CA C OP CA CB +DIHE -CA -C OP CA +DIHE -O -C OP CA +DIHE -C OP CA C +DIHE -C OP CA CB +DIHE -N -CA -C OP +DIHE -CB -CA -C OP +DIHE OP CA C +N +DIHE OP CA C O +IMPH -C -CA OP -O CA OP C CB +ACCE -O -C +ACCE OP +IC -N -CA -C OP 0.00 0.00 180.00 0.00 0.00 +IC -CA -C OP CA 0.00 0.00 180.00 0.00 0.00 +IC -C OP CA C 0.00 0.00 180.00 0.00 0.00 +IC -CA OP *-C -O 0.00 0.00 180.00 0.00 0.00 +IC OP CA C +N 0.00 0.00 180.00 0.00 0.00 +IC OP C *CA CB 0.00 0.00 120.00 0.00 0.00 + +PRES ZTOE 0.00 +! this converts the Z- dehydrophe to E- dehydrophe +DIHE N CA CB CG +IC N CA CB CG 0.0000 0.00 180.0 0.00 0.0000 + +! +! Linking patches +! + +PRES LINK 0.00 +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide +! The patch should be applied as RES(N-term) - RES(C-term) +! It is assumed that default patching has already occurred +! This patch may NOT be applied to GLY residues or any residue +! whose alpha-carbon atom type is not CH1E +DELETE ATOM 2OXT +DELETE ATOM 1HT1 +DELETE ATOM 1HT2 +DELETE ATOM 1HT3 +ATOM 2C C 0.60 +ATOM 2O O -0.55 +ATOM 1H H 0.25 +ATOM 1N NP -0.40 +ATOM 1CA CH1E 0.10 +BOND 2C 1N 2C 2O 1N 1H +THET 2CA 2C 1N 2C 1N 1CA 2CA 2C 2O +THET 2C 1N 1H 1H 1N 1CA 2O 2C 1N +DIHE 2N 2CA 2C 1N +DIHE 2N 2CA 2C 2O +DIHE 2CB 2CA 2C 1N +DIHE 2CB 2CA 2C 2O +DIHE 2CA 2C 1N 1H +DIHE 2CA 2C 1N 1CA +DIHE 2O 2C 1N 1H +DIHE 2O 2C 1N 1CA +DIHE 2C 1N 1CA 1CB +DIHE 2C 1N 1CA 1C +DIHE 1H 1N 1CA 1CB +DIHE 1H 1N 1CA 1C +IMPH 2C 2CA 1N 2O 1N 2C 1CA 1H +IC 2N 2CA 2C 1N 0.00 0.00 180.00 0.00 0.00 +IC 2CA 2C 1N 1CA 0.00 0.00 180.00 0.00 0.00 +IC 2C 1N 1CA 1C 0.00 0.00 180.00 0.00 0.00 +IC 2CA 1N *2C 2O 0.00 0.00 180.00 0.00 0.00 +IC 2C 1CA *1N 1H 0.00 0.00 180.00 0.00 0.00 + +PRES LNK2 0.00 +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide ( reverse version of LINK) +! The patch should be applied as RES(C-term) - RES(N-term) +! It is assumed that default patching has already occurred +! This patch may NOT be applied to GLY residues or any residue +! whose alpha-carbon atom type is not CH1E +DELETE ATOM 1OXT +DELETE ATOM 2HT1 +DELETE ATOM 2HT2 +DELETE ATOM 2HT3 +ATOM 1C C 0.60 +ATOM 1O O -0.55 +ATOM 2H H 0.25 +ATOM 2N NP -0.40 +ATOM 2CA CH1E 0.10 +BOND 1C 2N 1C 1O 2N 2H +THET 1CA 1C 2N 1C 2N 2CA 1CA 1C 1O +THET 1C 2N 2H 2H 2N 2CA 1O 1C 2N +DIHE 1N 1CA 1C 2N +DIHE 1N 1CA 1C 1O +DIHE 1CB 1CA 1C 2N +DIHE 1CB 1CA 1C 1O +DIHE 1CA 1C 2N 2H +DIHE 1CA 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1C 2N 2CA 2CB +DIHE 1C 2N 2CA 2C +DIHE 2H 2N 2CA 2CB +DIHE 2H 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES LNPT 0.00 +! This patch creates a peptide bond between the C-terminus of +! the primary segment and the N-terminus of its image +! The primary sequence should be generated using first none last none +! Appropriate patches should be applied to the remaining ends +BOND 1C 2N +THET 1CA 1C 2N 1C 2N 2CA +THET 1C 2N 2H 1O 1C 2N +DIHE 1N 1CA 1C 2N 1CA 1C 2N 2CA 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + + +PRES LNP1 0.00 +! This is same as LINK but for case of PROLINE on the N terminus +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide for PROLINE at N-terminus +! The patch should be applied as RES(N-term) - RES(C-term) +! It is assumed that default patching has already occurred +! This patch may NOT be applied to GLY residues or any residue +! whose alpha-carbon atom type is not CH1E +!DELETE ATOM 2O +DELETE ATOM 2OXT +DELETE ATOM 1HT1 +DELETE ATOM 1HT2 +ATOM 2C C 0.60 +ATOM 2O O -0.55 +ATOM 1N NX -0.25 +ATOM 1CA CH1E 0.10 +ATOM 1CD CH2E 0.10 +BOND 2C 1N 2C 2O +THET 2CA 2C 1N 2C 1N 1CA 2CA 2C 2O +THET 2O 2C 1N +DIHE 2N 2CA 2C 1N +DIHE 2N 2CA 2C 2O +DIHE 2CB 2CA 2C 1N +DIHE 2CB 2CA 2C 2O +DIHE 2CA 2C 1N 1CD +DIHE 2CA 2C 1N 1CA +DIHE 2O 2C 1N 1CD +DIHE 2O 2C 1N 1CA +DIHE 2C 1N 1CA 1CB +DIHE 2C 1N 1CA 1C +DIHE 1CD 1N 1CA 1CB +DIHE 1CD 1N 1CA 1C +IMPH 2C 2CA 1N 2O +IC 2N 2CA 2C 1N 0.00 0.00 180.00 0.00 0.00 +IC 2CA 2C 1N 1CA 0.00 0.00 180.00 0.00 0.00 +IC 2C 1N 1CA 1C 0.00 0.00 180.00 0.00 0.00 +IC 2N 2CA 2C 2O 0.00 0.00 0.00 0.00 0.00 +IC 1N 2CA *2C 2O 0.00 0.00 180.00 0.00 0.00 + +PRES LNP2 0.00 +! Link patch for Proline at the N terminus +! This patch will join two segments and form a peptide bond or +! can be used to form a cyclic peptide ( reverse version of LINK) +! The patch should be applied as RES(C-term) - RES(N-term) +! It is assumed that default patching has already occurred +!DELETE ATOM 1O +DELETE ATOM 1OXT +DELETE ATOM 2HT1 +DELETE ATOM 2HT2 +ATOM 1C C 0.60 +ATOM 1O O -0.55 +ATOM 2N NX -0.25 +ATOM 2CA CH1E 0.10 +ATOM 2CD CH2E 0.10 +BOND 1C 2N 1C 1O +THET 1CA 1C 2N 1C 2N 2CA 1CA 1C 1O +THET 1O 1C 2N +DIHE 1N 1CA 1C 2N +DIHE 1N 1CA 1C 1O +DIHE 1CB 1CA 1C 2N +DIHE 1CB 1CA 1C 1O +DIHE 1CA 1C 2N 2CD +DIHE 1CA 1C 2N 2CA +DIHE 1O 1C 2N 2CD +DIHE 1O 1C 2N 2CA +DIHE 1C 2N 2CA 2CB +DIHE 1C 2N 2CA 2C +DIHE 2CD 2N 2CA 2CB +DIHE 2CD 2N 2CA 2C +IMPH 1C 1CA 2N 1O +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 + +PRES LIMG 0.00 +! This patch creates a peptide bond between the C-terminus of +! the primary segment and the N-terminus of its image +! The primary sequence should be generated using first none last none +! Appropriate patches should be applied to the remaining ends +BOND 1C 2N +THET 1CA 1C 2N 1C 2N 2CA +THET 1C 2N 2H 1O 1C 2N +DIHE 1N 1CA 1C 2N +DIHE 1N 1CA 1C 1O +DIHE 1CB 1CA 1C 2N +DIHE 1CB 1CA 1C 1O +DIHE 1CA 1C 2N 2H +DIHE 1CA 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1C 2N 2CA 2CB +DIHE 1C 2N 2CA 2C +DIHE 2H 2N 2CA 2CB +DIHE 2H 2N 2CA 2C +!DIHE 1N 1CA 1C 2N 1CA 1C 2N 2CA 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES DLNK 0.00 +! This patch will connect the carboxyl group of ASP with the N-terminal +! end of a peptide to form a cyclic peptide +! The patch should be applied as RES(ASP) - RES(N-term) +DELE ATOM 2HT2 +DELE ATOM 2HT3 +DELE ATOM 1OD2 +ATOM 1CG C 0.60 +ATOM 1OD1 O -0.55 +ATOM 2HT1 H 0.25 +ATOM 2N NP -0.40 +ATOM 1CB CH2E 0.00 +ATOM 2CA CH1E 0.10 +BOND 1CG 2N 2N 2HT1 +THET 1CB 1CG 2N 1OD1 1CG 2N +THET 1CG 2N 2HT1 1CG 2N 2CA +DIHE 1CB 1CG 2N 2CA +DIHE 1CB 1CG 2N 2HT1 +DIHE 1OD1 1CG 2N 2CA +DIHE 1OD1 1CG 2N 2HT1 +DIHE 1CG 2N 2CA 2C +DIHE 1CG 2N 2CA 2CB +IMPH 1CG 1CB 2N 1OD1 2N 1CG 2CA 2HT1 +IC 1CB 1CG 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1CG 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1OD1 1CB *1CG 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CG 2CA *2N 2HT1 0.00 0.00 180.00 0.00 0.00 + +PRES KLNK 0.00 +! This patch will connect the amino group of LYS with the C-terminal +! end of a peptide to form a cyclic peptide +! The patch should be applied as RES(LYS) - RES(C-term) +DELE ATOM 2OXT +DELE ATOM 1HZ2 +DELE ATOM 1HZ3 +ATOM 2O O -.55 +ATOM 2C C .60 +ATOM 1HZ1 H 0.25 +ATOM 1NZ NP -0.40 +ATOM 1CE CH2E 0.10 +BOND 2C 1NZ +THET 2CA 2C 1NZ 2O 2C 1NZ +THET 2C 1NZ 1HZ1 2C 1NZ 1CE +DIHE 2N 2CA 2C 1NZ +DIHE 2CA 2C 1NZ 1CE +DIHE 2CA 2C 1NZ 1HZ1 +DIHE 2OCT1 2C 1NZ 1CE +DIHE 2OCT1 2C 1NZ 1HZ1 +DIHE 2C 1NZ 1CE 1CD +IMPH 2C 2CA 1NZ 2O 1NZ 2C 1CE 1HZ1 +IC 2N 2CA 2C 1NZ 0.00 0.00 180.00 0.00 0.00 +IC 2CA 2C 1NZ 1CE 0.00 0.00 180.00 0.00 0.00 +IC 2C 1NZ 1CE 1CD 0.00 0.00 180.00 0.00 0.00 +IC 1NZ 2CA *2C 2O 0.0 0.00 180.00 0.00 0.00 +IC 2C 1CE *1NZ 1HZ1 0.00 0.00 180.00 0.00 0.00 + +PRES ILNK 0.0 +BOND 1C 2N +THET 1C 2N 2CA 1CA 1C 2N +THET 1O 1C 2N 1C 2N 2H +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1CB 1C 2N 2CA +DIHE 1CB 1C 2N 2H +IMPH 2N 1C 2CA 2H 1C 1CA 2N 1O +IC 1N 1CA 1C 2N 0.0000 0.00 180.00 0.00 0.0000 +IC 2N 1CA *1C 1O 0.0000 0.00 180.00 0.00 0.0000 +IC 1CA 1C 2N 2CA 0.0000 0.00 180.00 0.00 0.0000 +IC 1C 2N 2CA 2C 0.0000 0.00 180.00 0.00 0.0000 +IC 1C 2CA *2N 2H 0.0000 0.00 180.00 0.00 0.0000 + + +PRES JOAA 0.00 !join unpatched chains (first not GLY second not PRO or GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CB 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOGA 0.00 !join unpatched chains (first GLY second not PRO or GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOGG 0.00 !join unpatched chains (first GLY second GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOAG 0.00 !join unpatched chains (first not GLY second GLY) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2H 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CB 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2H +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2H +DIHE 1C 2N 2CA 2C +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 + +PRES JOAP 0.00 !join unpatched chains (first not GLY second PRO) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2CD 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CB 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2CD +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2CD +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2CD +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2CD 0.00 0.00 180.00 0.00 0.00 + +PRES JOGP 0.00 !join unpatched chains (first GLY second PRO) +BOND 1C 2N +THET 1CA 1C 2N 1O 1C 2N +THET 1C 2N 2CD 1C 2N 2CA +DIHE 1N 1CA 1C 2N +DIHE 1CA 1C 2N 2CA +DIHE 1CA 1C 2N 2CD +DIHE 1O 1C 2N 2CA +DIHE 1O 1C 2N 2CD +DIHE 1C 2N 2CA 2C +DIHE 1C 2N 2CA 2CB +IMPH 1C 1CA 2N 1O 2N 1C 2CA 2CD +IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 +IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 +IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 +IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 +IC 1C 2CA *2N 2CD 0.00 0.00 180.00 0.00 0.00 + +RESI SES 0.00 ! Serine sidechain +GROU +ATOM OT OT -0.65 +ATOM CH3 CH3E 0.25 +ATOM HO H 0.40 +BOND CH3 OT OT HO +DONO HO OT +ACCE OT + +RESI ACD 0.000 +GROUP +ATOM N1 NP -0.600 +ATOM C2 C 0.600 +ATOM C3 CH3E -0.050 +ATOM O4 O -0.550 +ATOM H1 H 0.300 +ATOM H2 H 0.300 +BOND N1 C2 +BOND N1 H1 +BOND N1 H2 +BOND C2 C3 +BOND C2 O4 +IMPH N1 H1 H2 C2 +IMPH C2 N1 O4 C3 +IC H1 N1 C2 C3 1.00 117.06 180.00 113.72 1.51 +IC H2 N1 C2 C3 1.00 121.32 -0.00 113.72 1.51 +IC H1 N1 C2 O4 1.00 117.06 -0.00 123.55 1.22 +IC C2 H1 *N1 H2 1.33 117.06 180.00 121.62 1.00 +IC N1 C3 *C2 O4 1.33 113.72 180.00 122.74 1.22 + +RESI ACN 0.000 +GROUP +ATOM C1 CH3E 0.070 +ATOM C2 CUY1 0.430 +ATOM N N -0.500 +BOND C1 C2 +BOND C2 N + +RESI ACT 0.00 ! Acetone +GROU +ATOM C C 0.60 +ATOM O O -0.55 +ATOM CH1 CH3E -0.025 +ATOM CH2 CH3E -0.025 +BOND CH1 C C O C CH2 +IMPH C O CH2 CH1 +ACCE O C + + +RESI BUT 0.000 +GROUP +ATOM C CT 0.250 +ATOM C1 CH3E 0.000 +ATOM C2 CH3E 0.000 +ATOM C3 CH3E 0.000 +ATOM O OT -0.650 +ATOM H1 H 0.400 +BOND C C1 +BOND C C2 +BOND C C3 +BOND C O +BOND O H1 +IC C1 C O H1 1.56 107.09 180.00 109.47 1.09 +IC C2 C O H1 1.56 107.65 -60.03 109.47 1.09 +IC C3 C O H1 1.56 107.62 60.02 109.47 1.09 + +RESI URE 0.000 ! Urea +GROUP +ATOM C C 0.594 +ATOM O O -0.556 +ATOM N1 N -0.607 +ATOM N2 N -0.607 +ATOM H1 H 0.294 +ATOM H2 H 0.294 +ATOM H3 H 0.294 +ATOM H4 H 0.294 +BOND C O +BOND N1 C N1 H1 N1 H2 +BOND N2 C N2 H3 N2 H4 +IMPH N1 H1 H2 C +IMPH N2 H3 H4 C +IMPH C N1 N2 O +ACCE O C +DONO H1 N1 +DONO H2 N1 +DONO H3 N2 +DONO H4 N2 + +RESI PHN 0.000 !Phenol - quanta created +ATOM C1 C6R 0.25 +ATOM C2 C6RE 0.00 +ATOM C3 C6RE 0.00 +ATOM C4 C6RE 0.00 +ATOM C5 C6RE 0.00 +ATOM C6 C6RE 0.00 +ATOM O OT -0.65 +ATOM HO H 0.40 +BOND C1 C2 +BOND C2 C3 +BOND C3 C4 +BOND C4 C5 +BOND C5 C6 +BOND C6 C1 +BOND C1 O +BOND O HO + + +RESI BEN 0.000 +GROUP +ATOM CG C6RE 0.000 +ATOM CD1 C6RE 0.000 +ATOM CE1 C6RE 0.000 +ATOM CZ C6RE 0.000 +ATOM CE2 C6RE 0.000 +ATOM CD2 C6RE 0.000 +BOND CG CD1 CG CD2 CD1 CE1 +BOND CD2 CE2 CE1 CZ CE2 CZ +IMPH CG CD1 CE1 CZ CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 +IMPH CZ CE2 CD2 CG CE2 CD2 CG CD1 CD2 CG CD1 CE1 +IC CD1 CG CD2 CE2 0.0000 120.00 0.00 120.00 0.0000 +IC CD2 CG CD1 CE1 0.0000 120.00 0.00 120.00 0.0000 +IC CG CD1 CE1 CZ 0.0000 120.00 0.00 120.00 0.0000 + + +RESI DME 0.000 +GROUP +ATOM C1 CH3E 0.185 +ATOM O1 OT -0.370 +ATOM C2 CH3E 0.185 +BOND C1 O1 +BOND O1 C2 + +RESI CHX 0.000 +GROUP +ATOM C1 CH2E 0.000 +ATOM C2 CH2E 0.000 +ATOM C3 CH2E 0.000 +ATOM C4 CH2E 0.000 +ATOM C5 CH2E 0.000 +ATOM C6 CH2E 0.000 +BOND C1 C2 +BOND C1 C6 +BOND C2 C3 +BOND C3 C4 +BOND C4 C5 +BOND C5 C6 +IC C6 C1 C2 C3 1.53 111.15 55.63 111.16 1.53 +IC C1 C2 C3 C4 1.53 111.16 -55.63 111.15 1.53 +IC C2 C3 C4 C5 1.53 111.15 55.62 111.15 1.53 +IC C3 C4 C5 C6 1.53 111.15 -55.63 111.16 1.53 +IC C4 C5 C6 C1 1.53 111.16 55.63 111.15 1.53 +IC C5 C6 C1 C2 1.53 111.15 -55.62 111.15 1.53 + + +RESI BDY -0.000 +GROUP +ATOM C1 C6R 0.085 +ATOM C2 C6RE -0.014 +ATOM C3 C6RE -0.014 +ATOM C4 C6RE -0.014 +ATOM C5 C6RE -0.014 +ATOM C6 C6RE -0.014 +ATOM C7 C 0.230 +ATOM H1 HA 0.185 +ATOM O1 OA -0.430 +BOND C1 C2 +BOND C1 C6 +BOND C2 C3 +BOND C3 C4 +BOND C4 C5 +BOND C5 C6 +BOND C1 C7 +BOND C7 H1 +BOND C7 O1 +IMPH C6 C1 C2 C3 +IMPH C2 C1 C6 C5 +IMPH C1 C2 C3 C4 +IMPH C2 C3 C4 C5 +IMPH C3 C4 C5 C6 +IMPH C4 C5 C6 C1 +IMPH C1 C2 C6 C7 +IMPH C7 C1 O1 H1 +IC C6 C1 C2 C3 1.41 120.68 0.00 119.73 1.41 +IC C7 C1 C2 C3 1.47 119.45 -180.00 119.73 1.41 +IC C2 C6 *C1 C7 1.41 120.68 180.00 119.87 1.47 +IC C1 C2 C3 C4 1.41 119.73 -0.00 119.20 1.41 +IC C2 C3 C4 C5 1.41 119.20 -0.00 121.46 1.41 +IC C3 C4 C5 C6 1.41 121.46 0.00 119.20 1.41 +IC C4 C5 C6 C1 1.41 119.20 -0.00 119.72 1.41 +IC C5 C6 C1 C2 1.41 119.72 -0.00 120.68 1.41 +IC C5 C6 C1 C7 1.41 119.72 180.00 119.87 1.47 +IC C2 C1 C7 O1 1.41 119.45 -0.03 124.23 1.21 +IC C6 C1 C7 O1 1.41 119.87 179.97 124.23 1.21 +IC C2 C1 C7 H1 1.41 119.45 179.97 114.45 1.09 +IC C1 H1 *C7 O1 1.47 114.45 180.00 121.32 1.21 + +RESI AMN 0.000 +GROUP +ATOM C1 CH3E 0.000 +ATOM N1 NT -0.300 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND C1 N1 +BOND N1 H1 +BOND N1 H2 + +RESI ADY 0.000 +GROUP +ATOM C1 CH3E 0.000 +ATOM C2 C 0.230 +ATOM O1 OA -0.430 +ATOM H1 HA 0.200 +BOND C1 C2 +BOND C2 O1 +BOND C2 H1 +IMPH C2 C1 O1 H1 + +RESI ETH 0.000 +GROUP +ATOM C1 CH3E 0.000 +ATOM C2 CH3E 0.000 +BOND C1 C2 + +RESI THS 0.00 ! Threonine sidechain +GROU +ATOM CH CH1E 0.25 +ATOM CH1 CH3E 0.00 +ATOM CH2 CH3E 0.00 +ATOM OT OT -0.65 +ATOM HO H 0.40 +BOND CH1 CH CH OT CH CH2 OT HO +IMPH CH OT CH2 CH1 +DONO OT HO +ACCE OT + +RESI EOL 0.000 +GROUP +ATOM C2 CH2E 0.125 +ATOM C1 CH3E 0.125 +ATOM O OT -0.650 +ATOM H1 HO 0.400 +BOND C2 C1 +BOND C2 O +BOND O H1 +IC C1 C2 O H1 1.53 110.50 -180.00 109.47 1.09 + +RESI DFO 0.000 +GROUP +ATOM C2 C 0.600 +ATOM N3 NP -0.400 +ATOM O4 O -0.550 +ATOM C3 CH3E 0.100 +ATOM C1 CH3E 0.100 +ATOM H1 HA 0.150 +BOND C2 N3 +BOND C2 O4 +BOND N3 C3 +BOND N3 C1 +BOND C2 H1 +IMPH C2 N3 O4 H1 +IMPH N3 C3 C1 C2 +IC O4 C2 N3 C3 1.23 124.96 180.00 119.83 1.46 +IC H1 C2 N3 C3 1.09 117.53 -0.03 119.83 1.46 +IC O4 C2 N3 C1 1.23 124.96 -0.00 118.52 1.46 +IC N3 O4 *C2 H1 1.36 124.96 -179.97 117.51 1.09 +IC C2 C3 *N3 C1 1.36 119.83 -180.00 121.65 1.46 + + +! peptide probes +RESI PR1 1.0 ! Arginine guanidinium cation +GROU +ATOM NE NP -0.30 !modified from -0.4 +ATOM HE H 0.30 +ATOM CZ C 0.50 +GROU +ATOM NH1 NC -0.45 +ATOM HH11 HC 0.35 +ATOM HH12 HC 0.35 +GROU +ATOM NH2 NC -0.45 +ATOM HH21 HC 0.35 +ATOM HH22 HC 0.35 +BOND NE HE NE CZ CZ NH1 CZ NH2 NH1 HH11 +BOND NH1 HH12 NH2 HH21 NH2 HH22 +IMPH CZ NH1 NH2 NE NH1 HH12 HH11 CZ NH2 HH22 HH21 CZ +DONO HE NE +DONO HH11 NH1 +DONO HH12 NH1 +DONO HH21 NH2 +DONO HH22 NH2 +IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 +IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 +IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 +IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 +IC HH21 CZ *NH2 HH22 0.0000 0.00 180.00 0.00 0.0000 + +RESI PD1 -1.00! Aspartic acid acetate anion +GROU +ATOM CB CH2E 0.00 +ATOM CG C 0.14 +ATOM OD1 OC -0.57 +ATOM OD2 OC -0.57 +BOND CB CG CG OD1 CG OD2 +IMPH CG OD1 OD2 CB +ACCE OD1 CG +ACCE OD2 CG +IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PE1 -1.00 ! Glutamic acid propanoate anion +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.00 +ATOM CD C 0.14 +ATOM OE1 OC -0.57 +ATOM OE2 OC -0.57 +BOND CB CG CG CD CD OE1 CD OE2 +IMPH CD OE1 OE2 CG +ACCE OE1 CD +ACCE OE2 CD +IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 +IC OE1 CG *CD OE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PC1 0.00 ! Cysteine methanethiol +GROU +ATOM CB CH2E 0.19 +ATOM SG SH1E -0.19 +BOND CB SG + +RESI PH1 0.00 ! Histidine (uncharged with proton on nd1) +GROU ! probe1 +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM HD1 H 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM CE1 C5RE 0.30 +BOND CB CG CG ND1 CG CD2 ND1 HD1 ND1 CE1 +BOND CD2 NE2 CE1 NE2 +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO HD1 ND1 +ACCE NE2 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 + +RESI PH2 0.00 ! Histidine isomer ( proton at ne2 ) +GROUP ! probe2 +ATOM CB CH2E 0.00 +GROUP +ATOM CG C5R 0.10 +ATOM ND1 N5R -0.40 +ATOM CE1 C5RE 0.30 +GROU +ATOM CD2 C5RE 0.10 +ATOM NE2 N5R -0.40 +ATOM HE2 H 0.30 +BOND CB CG CG ND1 CG CD2 ND1 CE1 CD2 NE2 +BOND CE1 NE2 NE2 HE2 +IMPH CG ND1 CD2 CB NE2 CE1 CD2 HE2 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 +DONO HE2 NE2 +ACCE ND1 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PH3 1.00 ! Protonated HIS +GROU +ATOM CB CH2E 0.10 +ATOM CG C5R 0.15 +ATOM CD2 C5RE 0.20 +GROU +ATOM ND1 N5R -0.30 +ATOM HD1 H 0.35 +GROU +ATOM CE1 C5RE 0.45 +GROU +ATOM NE2 N5R -0.30 +ATOM HE2 H 0.35 +BOND CB CG CG ND1 CG CD2 ND1 HD1 ND1 CE1 +BOND CD2 NE2 CE1 NE2 NE2 HE2 +IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 +IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 +IMPH CD2 CG ND1 CE1 NE2 CD2 CE1 HE2 +DONO HD1 ND1 +DONO HE2 NE2 +IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 +IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 +IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 +IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 +IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 + +RESI PI1 0.00 ! Isoleucine butane +GROU +ATOM CB CH1E 0.00 +ATOM CG2 CH3E 0.00 +GROU +ATOM CG1 CH2E 0.00 +ATOM CD CH3E 0.00 +BOND CB CG1 CB CG2 CG1 CD + +RESI PI2 0.00 ! Isoleucine ethane +GROU +ATOM CG1 CH2E 0.00 +ATOM CD CH3E 0.00 +BOND CG1 CD + + +RESI PL1 0.00 ! Leucine isobutane +GROU +ATOM CB CH2E 0.00 +ATOM CG CH1E 0.00 +ATOM CD1 CH3E 0.00 +ATOM CD2 CH3E 0.00 +BOND CB CG CG CD1 CG CD2 +IMPH CG CD2 CD1 CB +IC CD1 CB *CG CD2 0.0000 0.00 120.00 0.00 0.0000 + +RESI PK1 1.00 ! Lysine ethylamine +GROU +ATOM CD CH2E 0.00 +GROU +ATOM CE CH2E 0.25 +ATOM NZ NT -0.30 +ATOM HZ1 HC 0.35 +ATOM HZ2 HC 0.35 +ATOM HZ3 HC 0.35 +BOND CD CE CE NZ NZ HZ1 NZ HZ2 NZ HZ3 +DONO HZ1 NZ +DONO HZ2 NZ +DONO HZ3 NZ +IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 +IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 +IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 + +RESI PM1 0.00 ! Methionine dimethylsulfide +GROU +ATOM CG CH2E 0.06 +ATOM SD SE -0.12 +ATOM CE CH3E 0.06 +BOND CG SD SD CE + +RESI PP1 0.00 ! Proline pyrrolidine +GROU +ATOM N NX -0.25 +ATOM CD CH2E 0.10 +ATOM CA CH1E 0.15 ! modified from 0.10 +GROU +ATOM CB CH2E 0.00 +ATOM CG CH2E 0.00 +BOND N CA N CD CA CB CB CG CG CD +IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 + +RESI PW1 0.00 ! Tryptophan indole +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG C5R -0.03 +ATOM CD2 CR56 0.10 +ATOM CE2 CR56 -0.04 +ATOM CE3 C6RE -0.03 +GROU +ATOM CD1 C5RE 0.06 +ATOM NE1 N5R -0.36 +ATOM HE1 H 0.30 +GROU +ATOM CZ2 C6RE 0.00 +ATOM CZ3 C6RE 0.00 +ATOM CH2 C6RE 0.00 +GROU +BOND CB CG CG CD1 CG CD2 CD1 NE1 CD2 CE2 +BOND NE1 HE1 NE1 CE2 CD2 CE3 CE2 CZ2 CE3 CZ3 +BOND CZ2 CH2 CZ3 CH2 +IMPH CG CD1 CD2 CB NE1 CD1 CE2 HE1 CD2 CE2 CZ2 CH2 +IMPH CE2 CZ2 CH2 CZ3 CZ2 CH2 CZ3 CE3 CH2 CZ3 CE3 CD2 +IMPH CZ3 CE3 CD2 CE2 CE3 CD2 CE2 CZ2 CG CD1 NE1 CE2 +IMPH CD1 NE1 CE2 CD2 NE1 CE2 CD2 CG CE2 CD2 CG CD1 +IMPH CD2 CG CD1 NE1 CD2 CG CE3 CE2 CE2 NE1 CZ2 CD2 +DONO HE1 NE1 +IC CD2 CB *CG CD1 0.0000 0.00 180.00 0.00 0.0000 +IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CG CD1 NE1 0.0000 0.00 0.00 0.00 0.0000 +IC CE2 CD1 *NE1 HE1 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CG *CD2 CE3 0.0000 0.00 180.00 0.00 0.0000 +IC CE2 CD2 CE3 CZ3 0.0000 0.00 0.00 0.00 0.0000 +IC CE3 CD2 CE2 CZ2 0.0000 0.00 0.00 0.00 0.0000 +IC CD2 CE2 CZ2 CH2 0.0000 0.00 0.00 0.00 0.0000 + +RESI PV1 0.00 ! Valine propane +GROU +ATOM CB CH1E 0.00 +ATOM CG1 CH3E 0.00 +ATOM CG2 CH3E 0.00 +BOND CB CG1 CB CG2 + + +! more primary amines + +RESI R23 0.000 ! propylamine +GROUP +ATOM N NT -0.300 +ATOM C CH2E 0.000 +ATOM C3 CH2E 0.000 +ATOM C4 CH3E 0.000 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND N C +BOND N H1 +BOND N H2 +BOND C C3 +BOND C3 C4 + +RESI SAU 0.000 ! isopropylamine +GROUP +ATOM N1 NT -0.300 +ATOM C1 CH1E 0.000 +ATOM C2 CH3E 0.000 +ATOM C3 CH3E 0.000 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND N1 C1 +BOND C1 C2 +BOND C1 C3 +BOND N1 H1 +BOND N1 H2 +IMPH C1 C3 N1 C2 + +RESI SBF 0.000 ! t-butylamine +GROUP +ATOM N1 NT -0.300 +ATOM C1 CT 0.069 +ATOM C2 CH3E -0.023 +ATOM C3 CH3E -0.023 +ATOM C4 CH3E -0.023 +ATOM H1 H 0.150 +ATOM H2 H 0.150 +BOND N1 C1 +BOND C1 C2 +BOND C1 C3 +BOND C1 C4 +BOND N1 H1 +BOND N1 H2 + +RESI GTP -4.00 +ATOM PG PO4 1.110 +ATOM O1G O -0.550 +ATOM O2G O -0.550 +ATOM O3G O -0.550 +ATOM O3B OS -0.670 +ATOM PB PO4 1.110 +ATOM O1B O -0.550 +ATOM O2B O -0.550 +ATOM O3A OS -0.670 +ATOM PA PO4 1.110 +ATOM O1A O -0.550 +ATOM O2A O -0.550 +ATOM O5' OS -0.670 +ATOM C5' CH2E 0.229 +ATOM C4' CH1E 0.259 +ATOM O4' OE -0.370 +ATOM C3' CH1E 0.409 +ATOM O3' OT -0.650 +ATOM C2' CH1E 0.408 +ATOM O2' OT -0.650 +ATOM C1' CH1E 0.359 +ATOM N9 N5R -0.540 +ATOM C8 C5R 0.159 +ATOM N7 N5R -0.540 +ATOM C5 CR56 -0.100 +ATOM C6 C6R 0.409 +ATOM O6 O -0.550 +ATOM N1 N6R -0.770 +ATOM C2 C6R 1.028 +ATOM N2 NP -0.400 +ATOM N3 N6R -0.710 +ATOM C4 CR56 0.550 +BOND PG O1G +BOND PG O2G +BOND PG O3G +BOND PG O3B +BOND O3B PB +BOND PB O1B +BOND PB O2B +BOND PB O3A +BOND O3A PA +BOND PA O1A +BOND PA O2A +BOND PA O5' +BOND O5' C5' +BOND C5' C4' +BOND C4' O4' +BOND C4' C3' +BOND O4' C1' +BOND C3' O3' +BOND C3' C2' +BOND C2' O2' +BOND C2' C1' +BOND C1' N9 +BOND N9 C8 +BOND N9 C4 +BOND C8 N7 +BOND N7 C5 +BOND C5 C6 +BOND C5 C4 +BOND C6 O6 +BOND C6 N1 +BOND N1 C2 +BOND C2 N2 +BOND C2 N3 +BOND N3 C4 + +RESI GNP -4.00 +ATOM PG PO4 1.110 +ATOM O1G O -0.550 +ATOM O2G O -0.550 +ATOM O3G O -0.550 +ATOM N3B OS -0.670 +ATOM PB PO4 1.110 +ATOM O1B O -0.550 +ATOM O2B O -0.550 +ATOM O3A OS -0.670 +ATOM PA PO4 1.110 +ATOM O1A O -0.550 +ATOM O2A O -0.550 +ATOM O5' OS -0.670 +ATOM C5' CH2E 0.229 +ATOM C4' CH1E 0.259 +ATOM O4' OE -0.370 +ATOM C3' CH1E 0.409 +ATOM O3' OT -0.650 +ATOM C2' CH1E 0.408 +ATOM O2' OT -0.650 +ATOM C1' CH1E 0.359 +ATOM N9 N5R -0.540 +ATOM C8 C5R 0.159 +ATOM N7 N5R -0.540 +ATOM C5 CR56 -0.100 +ATOM C6 C6R 0.409 +ATOM O6 O -0.550 +ATOM N1 N6R -0.770 +ATOM C2 C6R 1.028 +ATOM N2 NP -0.400 +ATOM N3 N6R -0.710 +ATOM C4 CR56 0.550 +BOND PG O1G +BOND PG O2G +BOND PG O3G +BOND PG N3B +BOND N3B PB +BOND PB O1B +BOND PB O2B +BOND PB O3A +BOND O3A PA +BOND PA O1A +BOND PA O2A +BOND PA O5' +BOND O5' C5' +BOND C5' C4' +BOND C4' O4' +BOND C4' C3' +BOND O4' C1' +BOND C3' O3' +BOND C3' C2' +BOND C2' O2' +BOND C2' C1' +BOND C1' N9 +BOND N9 C8 +BOND N9 C4 +BOND C8 N7 +BOND N7 C5 +BOND C5 C6 +BOND C5 C4 +BOND C6 O6 +BOND C6 N1 +BOND N1 C2 +BOND C2 N2 +BOND C2 N3 +BOND N3 C4 + +RESI MG 2.00 +ATOM MG MMG 2.00 + +RESI MSE 0.00 ! Methionine +GROU +ATOM N NP -0.40 +ATOM H H 0.25 +ATOM CA CH1E 0.10 +GROU +ATOM CB CH2E 0.00 +GROU +ATOM CG CH2E 0.06 +ATOM SE SE -0.12 +ATOM CE CH3E 0.06 +GROU +ATOM C C 0.60 +ATOM O O -0.55 +BOND N CA CA C C +N C O N H +BOND CA CB CB CG CG SE SE CE +IMPH N -C CA H C CA +N O CA N C CB +DONO H N +ACCE O C +IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 +IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 +IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 +IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix +IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 +IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 +IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 +IC CA CB CG SE 0.0000 0.00 180.00 0.00 0.0000 +IC CB CG SE CE 0.0000 0.00 180.00 0.00 0.0000 + + +RESI RIM -0.0000 +ATOM CA CH3E 0.0282 +ATOM CB CH1E 0.2265 +ATOM NC NT -0.902500 +ATOM CD CT -0.084300 +ATOM CE1 CH2E 0.0114 +ATOM CE2 CH2E 0.0246 +ATOM CE3 CH2E 0.0118 +ATOM CF1 CH1E -0.0135 +ATOM CF2 CH1E -0.0146 +ATOM CF3 CH1E -0.0136 +ATOM CG1 CH2E 0.0122 +ATOM CG2 CH2E 0.0131 +ATOM CG3 CH2E 0.0106 +ATOM HNC1 H 0.347600 +ATOM HNC2 H 0.342500 + +BOND CA CB ! dist 1.5357 +BOND CB NC ! dist 1.4890 +BOND CB CD ! dist 1.5517 +BOND NC HNC1 ! dist 0.9800 +BOND NC HNC2 ! dist 0.9805 +BOND CD CE1 ! dist 1.5384 +BOND CD CE2 ! dist 1.5411 +BOND CD CE3 ! dist 1.5347 +BOND CE1 CF1 ! dist 1.5330 +BOND CE2 CF2 ! dist 1.5300 +BOND CE3 CF3 ! dist 1.5285 +BOND CF1 CG1 ! dist 1.5245 +BOND CF1 CG3 ! dist 1.5226 +BOND CF2 CG1 ! dist 1.5230 +BOND CF2 CG2 ! dist 1.5212 +BOND CF3 CG2 ! dist 1.5214 +BOND CF3 CG3 ! dist 1.5224 + +ANGL CA CB NC ! angle 109.0421 +ANGL CA CB CD ! angle 111.9613 +ANGL CB NC HNC1 ! angle 119.8944 +ANGL CB NC HNC2 ! angle 119.9485 +ANGL CB CD CE1 ! angle 110.5312 +ANGL CB CD CE2 ! angle 111.1951 +ANGL CB CD CE3 ! angle 107.8194 +ANGL NC CB CD ! angle 109.2896 +ANGL CD CE1 CF1 ! angle 109.3525 +ANGL CD CE2 CF2 ! angle 109.4758 +ANGL CD CE3 CF3 ! angle 110.0076 +ANGL CE1 CD CE2 ! angle 109.2707 +ANGL CE1 CD CE3 ! angle 108.8290 +ANGL CE1 CF1 CG1 ! angle 109.6727 +ANGL CE1 CF1 CG3 ! angle 109.2739 +ANGL CE2 CD CE3 ! angle 109.1442 +ANGL CE2 CF2 CG1 ! angle 108.8928 +ANGL CE2 CF2 CG2 ! angle 109.8070 +ANGL CE3 CF3 CG2 ! angle 109.0296 +ANGL CE3 CF3 CG3 ! angle 109.4002 +ANGL CF1 CG1 CF2 ! angle 110.0602 +ANGL CF1 CG3 CF3 ! angle 109.9444 +ANGL CF2 CG2 CF3 ! angle 109.9644 +ANGL CG1 CF1 CG3 ! angle 109.2341 +ANGL CG1 CF2 CG2 ! angle 109.5282 +ANGL CG2 CF3 CG3 ! angle 109.5724 +ANGL HNC1 NC HNC2 ! angle 120.0219 + +DIHE CA CB NC HNC1 ! dihe -170.6664 +DIHE CD CB NC HNC1 ! dihe 66.6526 +DIHE CA CB NC HNC2 ! dihe 5.1081 +DIHE CD CB NC HNC2 ! dihe -117.5730 +DIHE CA CB CD CE1 ! dihe -81.9256 +DIHE NC CB CD CE1 ! dihe 38.9947 +DIHE CA CB CD CE2 ! dihe 39.6222 +DIHE NC CB CD CE2 ! dihe 160.5425 +DIHE CA CB CD CE3 ! dihe 159.2333 +DIHE NC CB CD CE3 ! dihe -79.8464 +DIHE CB CD CE1 CF1 ! dihe -178.1503 +DIHE CE2 CD CE1 CF1 ! dihe 59.1716 +DIHE CE3 CD CE1 CF1 ! dihe -59.9242 +DIHE CB CD CE2 CF2 ! dihe 177.5472 +DIHE CE1 CD CE2 CF2 ! dihe -60.1723 +DIHE CE3 CD CE2 CF2 ! dihe 58.7279 +DIHE CB CD CE3 CF3 ! dihe 179.5736 +DIHE CE1 CD CE3 CF3 ! dihe 59.6511 +DIHE CE2 CD CE3 CF3 ! dihe -59.5238 +DIHE CD CE1 CF1 CG1 ! dihe -59.2156 +DIHE CD CE1 CF1 CG3 ! dihe 60.4962 +DIHE CD CE2 CF2 CG1 ! dihe 60.5986 +DIHE CD CE2 CF2 CG2 ! dihe -59.3207 +DIHE CD CE3 CF3 CG2 ! dihe 60.1981 +DIHE CD CE3 CF3 CG3 ! dihe -59.6139 +DIHE CE1 CF1 CG1 CF2 ! dihe 60.3093 +DIHE CG3 CF1 CG1 CF2 ! dihe -59.4268 +DIHE CE1 CF1 CG3 CF3 ! dihe -60.4774 +DIHE CG1 CF1 CG3 CF3 ! dihe 59.5044 +DIHE CE2 CF2 CG1 CF1 ! dihe -60.7628 +DIHE CG2 CF2 CG1 CF1 ! dihe 59.3291 +DIHE CE2 CF2 CG2 CF3 ! dihe 60.3707 +DIHE CG1 CF2 CG2 CF3 ! dihe -59.1609 +DIHE CE3 CF3 CG2 CF2 ! dihe -60.3711 +DIHE CG3 CF3 CG2 CF2 ! dihe 59.3344 +DIHE CE3 CF3 CG3 CF1 ! dihe 59.8788 +DIHE CG2 CF3 CG3 CF1 ! dihe -59.5993 + + + + +RESI HEC 0.00000 +GROU +ATOM FE FE 1.66 +ATOM NA NP -0.25 +ATOM NB NP -0.25 +ATOM NC NP -0.25 +ATOM ND NP -0.25 +GROU +ATOM C1A C 0.06 +ATOM CHA CR1E 0.07 +ATOM C4D C 0.05 +GROU +ATOM C1B C 0.06 +ATOM CHB CR1E 0.07 +ATOM C4A C 0.05 +GROU +ATOM C1C C 0.06 +ATOM CHC CR1E 0.07 +ATOM C4B C 0.05 +GROU +ATOM C1D C 0.06 +ATOM CHD CR1E 0.07 +ATOM C4C C 0.05 +GROU +ATOM C2A C -0.01 +ATOM CAA CH2E 0.05 +GROU +ATOM C3A C 0.03 +ATOM CMA CH3E -0.03 +GROU +ATOM CBA CH2E -0.07 +ATOM CGA C 0.33 +ATOM O1A OC -0.47 +ATOM O2A OC -0.47 +GROU +ATOM C2B C 0.03 +ATOM CMB CH3E -0.03 +GROU +ATOM C3B C -0.02 +ATOM CAB CR1E 0.06 +ATOM CBB CH2E -0.07 +GROU +ATOM C2C C 0.03 +ATOM CMC CH3E -0.03 +GROU +ATOM C3C C -0.02 +ATOM CAC CR1E 0.06 +ATOM CBC CH2E -0.07 +GROU +ATOM C2D C 0.03 +ATOM CMD CH3E -0.03 +GROU +ATOM C3D C -0.03 +ATOM CAD CH2E 0.03 +GROU +ATOM CBD CH2E -0.07 +ATOM CGD C 0.33 +ATOM O1D OC -0.47 +ATOM O2D OC -0.47 +BOND FE NA FE NB FE NC FE ND NA C1A +BOND C1A C2A C2A C3A C3A C4A NA C4A C2A CAA +BOND CAA CBA CBA CGA CGA O1A CGA O2A C3A CMA +BOND CHB C4A CHB C1B NB C1B C1B C2B C2B C3B +BOND C3B C4B NB C4B C2B CMB C3B CAB CAB CBB +BOND CHC C4B CHC C1C NC C1C C1C C2C C2C C3C +BOND C3C C4C NC C4C C2C CMC C3C CAC CAC CBC +BOND CHD C4C CHD C1D ND C1D C1D C2D C2D C3D +BOND C3D C4D ND C4D C2D CMD C3D CAD CAD CBD +BOND CBD CGD CGD O1D CGD O2D CHA C4D CHA C1A +DIHE NA C4A CHB C1B C4A CHB C1B NB NB C4B CHC C1C +DIHE C4B CHC C1C NC NC C4C CHD C1D C4C CHD C1D ND +DIHE ND C4D CHA C1A C4D CHA C1A NA C1A C2A CAA CBA +DIHE C2A CAA CBA CGA CAA CBA CGA O1A C2B C3B CAB CBB +DIHE C2C C3C CAC CBC C2D C3D CAD CBD C3D CAD CBD CGD +DIHE CAD CBD CGD O1D +IMPH FE C1A C4A NA FE C1B C4B NB FE C1C C4C NC +IMPH FE C1D C4D ND CHA NA C2A C1A CHB NA C3A C4A +IMPH CHB NB C2B C1B CHC NB C3B C4B CHC NC C2C C1C +IMPH CHD NC C3C C4C CHD ND C2D C1D CHA ND C3D C4D +IMPH C2A C1A C3A CAA C3A C2A C4A CMA C2B C1B C3B CMB +IMPH C3B C2B C4B CAB C2C C1C C3C CMC C3C C2C C4C CAC +IMPH C2D C1D C3D CMD C3D C2D C4D CAD CBA O1A O2A CGA +IMPH CBD O1D O2D CGD +ACCE NA +ACCE O1A CGA +ACCE O2A CGA +ACCE NB +ACCE NC +ACCE ND +ACCE O1D CGD +ACCE O2D CGD +PATC FIRS NONE LAST NONE + + + +RESI HEM 0.00000 +GROU +ATOM FE FE 1.66 +ATOM NA NP -0.25 +ATOM NB NP -0.25 +ATOM NC NP -0.25 +ATOM ND NP -0.25 +GROU +ATOM C1A C 0.06 +ATOM CHA CR1E 0.07 +ATOM C4D C 0.05 +GROU +ATOM C1B C 0.06 +ATOM CHB CR1E 0.07 +ATOM C4A C 0.05 +GROU +ATOM C1C C 0.06 +ATOM CHC CR1E 0.07 +ATOM C4B C 0.05 +GROU +ATOM C1D C 0.06 +ATOM CHD CR1E 0.07 +ATOM C4C C 0.05 +GROU +ATOM C2A C -0.01 +ATOM CAA CH2E 0.05 +GROU +ATOM C3A C 0.03 +ATOM CMA CH3E -0.03 +GROU +ATOM CBA CH2E -0.07 +ATOM CGA C 0.33 +ATOM O1A OC -0.47 +ATOM O2A OC -0.47 +GROU +ATOM C2B C 0.03 +ATOM CMB CH3E -0.03 +GROU +ATOM C3B C -0.02 +ATOM CAB CR1E 0.06 +ATOM CBB CH2E -0.07 +GROU +ATOM C2C C 0.03 +ATOM CMC CH3E -0.03 +GROU +ATOM C3C C -0.02 +ATOM CAC CR1E 0.06 +ATOM CBC CH2E -0.07 +GROU +ATOM C2D C 0.03 +ATOM CMD CH3E -0.03 +GROU +ATOM C3D C -0.03 +ATOM CAD CH2E 0.03 +GROU +ATOM CBD CH2E -0.07 +ATOM CGD C 0.33 +ATOM O1D OC -0.47 +ATOM O2D OC -0.47 +BOND FE NA FE NB FE NC FE ND NA C1A +BOND C1A C2A C2A C3A C3A C4A NA C4A C2A CAA +BOND CAA CBA CBA CGA CGA O1A CGA O2A C3A CMA +BOND CHB C4A CHB C1B NB C1B C1B C2B C2B C3B +BOND C3B C4B NB C4B C2B CMB C3B CAB CAB CBB +BOND CHC C4B CHC C1C NC C1C C1C C2C C2C C3C +BOND C3C C4C NC C4C C2C CMC C3C CAC CAC CBC +BOND CHD C4C CHD C1D ND C1D C1D C2D C2D C3D +BOND C3D C4D ND C4D C2D CMD C3D CAD CAD CBD +BOND CBD CGD CGD O1D CGD O2D CHA C4D CHA C1A +DIHE NA C4A CHB C1B C4A CHB C1B NB NB C4B CHC C1C +DIHE C4B CHC C1C NC NC C4C CHD C1D C4C CHD C1D ND +DIHE ND C4D CHA C1A C4D CHA C1A NA C1A C2A CAA CBA +DIHE C2A CAA CBA CGA CAA CBA CGA O1A C2B C3B CAB CBB +DIHE C2C C3C CAC CBC C2D C3D CAD CBD C3D CAD CBD CGD +DIHE CAD CBD CGD O1D +IMPH FE C1A C4A NA FE C1B C4B NB FE C1C C4C NC +IMPH FE C1D C4D ND CHA NA C2A C1A CHB NA C3A C4A +IMPH CHB NB C2B C1B CHC NB C3B C4B CHC NC C2C C1C +IMPH CHD NC C3C C4C CHD ND C2D C1D CHA ND C3D C4D +IMPH C2A C1A C3A CAA C3A C2A C4A CMA C2B C1B C3B CMB +IMPH C3B C2B C4B CAB C2C C1C C3C CMC C3C C2C C4C CAC +IMPH C2D C1D C3D CMD C3D C2D C4D CAD CBA O1A O2A CGA +IMPH CBD O1D O2D CGD +ACCE NA +ACCE O1A CGA +ACCE O2A CGA +ACCE NB +ACCE NC +ACCE ND +ACCE O1D CGD +ACCE O2D CGD +PATC FIRS NONE LAST NONE + + +RESI AMD 0.000 +GROUP +ATOM C1 CH1E 0.426653 +ATOM C2 CH2E -0.297766 +ATOM C3 CH1E 0.426653 +ATOM C4 CH2E -0.29776 +ATOM C5 CH1E 0.426653 +ATOM C6 CH2E -0.297766 +ATOM C7 CH2E -0.32135 +ATOM C8 CT 0.976703 +ATOM N1 NT -1.129448 +ATOM C9 CH2E -0.32135 +ATOM C10 CH2E -0.32135 +ATOM H12 H 0.365069 +ATOM H13 H 0.365069 + +BOND C1 C2 ! dist 1.5429 +BOND C1 C6 ! dist 1.5226 +BOND C1 C9 ! dist 1.5863 +BOND C2 C3 ! dist 1.5976 +BOND C3 C4 ! dist 1.5647 +BOND C3 C10 ! dist 1.5940 +BOND C4 C5 ! dist 1.5545 +BOND C5 C6 ! dist 1.5888 +BOND C5 C7 ! dist 1.6067 +BOND C7 C8 ! dist 1.5533 +BOND C8 N1 ! dist 1.5390 +BOND C8 C9 ! dist 1.5993 +BOND C8 C10 ! dist 1.5305 +BOND N1 H12 ! dist 1.1197 +BOND N1 H13 ! dist 1.1196 + +ANGL C1 C2 C3 ! angle 111.1112 +ANGL C1 C6 C5 ! angle 107.6620 +ANGL C1 C9 C8 ! angle 115.6590 +ANGL C2 C1 C6 ! angle 104.8547 +ANGL C2 C1 C9 ! angle 107.1044 +ANGL C2 C3 C4 ! angle 107.6548 +ANGL C2 C3 C10 ! angle 118.3317 +ANGL C3 C4 C5 ! angle 105.3411 +ANGL C3 C10 C8 ! angle 105.1404 +ANGL C4 C3 C10 ! angle 107.5762 +ANGL C4 C5 C6 ! angle 109.6014 +ANGL C4 C5 C7 ! angle 104.7225 +ANGL C5 C7 C8 ! angle 111.1617 +ANGL C6 C1 C9 ! angle 110.9050 +ANGL C6 C5 C7 ! angle 116.9895 +ANGL C7 C8 N1 ! angle 116.2277 +ANGL C7 C8 C9 ! angle 103.2819 +ANGL C7 C8 C10 ! angle 103.0871 +ANGL C8 N1 H12 ! angle 109.4641 +ANGL C8 N1 H13 ! angle 109.4802 +ANGL N1 C8 C9 ! angle 112.3829 +ANGL N1 C8 C10 ! angle 104.4884 +ANGL C9 C8 C10 ! angle 117.5128 +ANGL H12 N1 H13 ! angle 109.4383 + +DIHE C6 C1 C2 C3 ! dihe 64.4041 +DIHE C9 C1 C2 C3 ! dihe -53.4913 +DIHE C2 C1 C6 C5 ! dihe -64.6066 +DIHE C9 C1 C6 C5 ! dihe 50.6729 +DIHE C2 C1 C9 C8 ! dihe 51.6097 +DIHE C6 C1 C9 C8 ! dihe -62.2610 +DIHE C1 C2 C3 C4 ! dihe -63.4537 +DIHE C1 C2 C3 C10 ! dihe 58.6617 +DIHE C2 C3 C4 C5 ! dihe 60.0614 +DIHE C10 C3 C4 C5 ! dihe -68.4916 +DIHE C2 C3 C10 C8 ! dihe -50.3109 +DIHE C4 C3 C10 C8 ! dihe 71.8442 +DIHE C3 C4 C5 C6 ! dihe -63.8688 +DIHE C3 C4 C5 C7 ! dihe 62.4069 +DIHE C4 C5 C6 C1 ! dihe 68.1069 +DIHE C7 C5 C6 C1 ! dihe -50.8471 +DIHE C4 C5 C7 C8 ! dihe -65.4654 +DIHE C6 C5 C7 C8 ! dihe 56.0738 +DIHE C5 C7 C8 N1 ! dihe -178.6381 +DIHE C5 C7 C8 C9 ! dihe -55.1021 +DIHE C5 C7 C8 C10 ! dihe 67.7297 +DIHE C7 C8 N1 H12 ! dihe 169.3417 +DIHE C9 C8 N1 H12 ! dihe 50.6650 +DIHE C10 C8 N1 H12 ! dihe -77.8273 +DIHE C7 C8 N1 H13 ! dihe -70.6975 +DIHE C9 C8 N1 H13 ! dihe 170.6258 +DIHE C10 C8 N1 H13 ! dihe 42.1335 +DIHE C7 C8 C9 C1 ! dihe 61.6076 +DIHE N1 C8 C9 C1 ! dihe -172.3561 +DIHE C10 C8 C9 C1 ! dihe -51.0530 +DIHE C7 C8 C10 C3 ! dihe -67.6373 +DIHE N1 C8 C10 C3 ! dihe 170.4451 +DIHE C9 C8 C10 C3 ! dihe 45.1323 +END +END diff --git a/examples/usage/README.md b/examples/usage/README.md new file mode 100644 index 0000000..290c6f6 --- /dev/null +++ b/examples/usage/README.md @@ -0,0 +1,20 @@ +# Usage example + +Run +``` +../build/nrgmin --setup-json setup.json +``` + +The output will be in files `out.pdb` and `out.json`, which contains energy terms. `setup.json` has three +minimization stages and `out.json` will record final energy values for each stage and each model. If you +want to print every step, for example you can run + +``` +../build/nrgmin --setup-json setup.json --print-step +``` + +Or add `"print_step": true` to `"options"` field in `setup.json` and rerun + +``` +../build/nrgmin --setup-json setup.json +``` \ No newline at end of file diff --git a/examples/usage/setup.json b/examples/usage/setup.json new file mode 100644 index 0000000..7621f8f --- /dev/null +++ b/examples/usage/setup.json @@ -0,0 +1,47 @@ +{ + "options": { + "rec_pdb": "BACE_4_rec_2models.pdb", + "rec_psf": "BACE_4_rec.psf", + "rec_prm": "BACE_4_rec_parm.prm", + "rec_rtf": "BACE_4_rec_pdbamino.rtf", + "lig_json": "BACE_4_lig.json", + "lig_pdb": "BACE_4_lig_2models_close.pdb" + }, + "stages": [ + { + "nsteps": 1000, + "fix_ligand": true + }, + { + "nsteps": 1000, + "fix_receptor": true + }, + { + "nsteps": 1000, + "vdw03": false, + "gbsa": true, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 26.816, + 1.943, + 23.790 + ], + "atoms": [ + 3598 + ] + } + ], + "pairsprings": [ + { + "weight": 10, + "length": 10, + "error": 1, + "atom1": 3598, + "atom2": 3630 + } + ] + } + ] +} \ No newline at end of file diff --git a/src/minimize.c b/src/minimize.c index 9e10b45..0950a18 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -24,10 +24,12 @@ int main(int argc, char **argv) { if (opts_error) { ERR_MSG("Couldn't parse options"); options_free(opts); + usage_message(argv); exit(EXIT_FAILURE); } if (opts.help) { options_free(opts); + usage_message(argv); exit(EXIT_SUCCESS); } diff --git a/src/parse_options.c b/src/parse_options.c index 0bf2727..324b609 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -20,20 +20,23 @@ } while (0) -#define _FILL_PARAM(arg, value) do { \ - char str_arg[] = #arg; \ - char* dot_pos; \ - if ((dot_pos = strchr(str_arg, '.')) != NULL) { \ - dot_pos = dot_pos + 1; \ - } \ - char* dash_pos = dot_pos; \ - while ((dash_pos = strchr(dash_pos, '_')) != NULL) { \ - *dash_pos = '-'; \ - }; \ - if (strcmp(dot_pos, long_options[option_index].name) == 0) { \ - (arg) = (value); \ - break; \ - } \ +/** + * Stringize "arg" find the dot, replace "-" with "_" and compare to "value" + */ +#define _FILL_PARAM(arg, value) do { \ + char str_arg[] = #arg; \ + char* dot_pos; \ + if ((dot_pos = strchr(str_arg, '.')) != NULL) { \ + dot_pos = dot_pos + 1; \ + } \ + char* dash_pos = dot_pos; \ + while ((dash_pos = strchr(dash_pos, '_')) != NULL) { \ + *dash_pos = '-'; \ + }; \ + if (strcmp(dot_pos, long_options[option_index].name) == 0) { \ + (arg) = (value); \ + break; \ + } \ } while (0) @@ -150,37 +153,37 @@ static bool _fill_prms_from_json(struct options* opts, json_t* root) "vdw", &opts->vdw, "vdw03", &opts->vdw03, "gbsa", &opts->gbsa, - "fix-receptor", &opts->fix_receptor, - "fix-ligand", &opts->fix_ligand, - "score-only", &opts->score_only, - "print-step", &opts->print_step, - "print-stage", &opts->print_stage, - "print-noe-matrix", &opts->print_noe_matrix, + "fix_receptor", &opts->fix_receptor, + "fix_ligand", &opts->fix_ligand, + "score_only", &opts->score_only, + "print_step", &opts->print_step, + "print_stage", &opts->print_stage, + "print_noe_matrix", &opts->print_noe_matrix, // char options - "out-pdb", &opts->out_pdb, - "out-json", &opts->out_json, + "out_pdb", &opts->out_pdb, + "out_json", &opts->out_json, "psf", &opts->psf, "prm", &opts->prm, "rtf", &opts->rtf, "pdb", &opts->pdb, "json", &opts->json, - "rec-psf", &opts->rec_psf, - "rec-prm", &opts->rec_prm, - "rec-rtf", &opts->rec_rtf, - "rec-pdb", &opts->rec_pdb, - "rec-json", &opts->rec_json, - "lig-psf", &opts->lig_psf, - "lig-prm", &opts->lig_prm, - "lig-rtf", &opts->lig_rtf, - "lig-pdb", &opts->lig_pdb, - "lig-json", &opts->lig_json, - "fixed-pdb", &opts->fixed_pdb, - "pair-springs-txt", &opts->pair_springs_txt, - "point-springs-txt", &opts->point_springs_txt, - "noe-txt", &opts->noe_txt, - "noe-json", &opts->noe_json, - "density-json", &opts->density_json + "rec_psf", &opts->rec_psf, + "rec_prm", &opts->rec_prm, + "rec_rtf", &opts->rec_rtf, + "rec_pdb", &opts->rec_pdb, + "rec_json", &opts->rec_json, + "lig_psf", &opts->lig_psf, + "lig_prm", &opts->lig_prm, + "lig_rtf", &opts->lig_rtf, + "lig_pdb", &opts->lig_pdb, + "lig_json", &opts->lig_json, + "fixed_pdb", &opts->fixed_pdb, + "pair_springs_txt", &opts->pair_springs_txt, + "point_springs_txt", &opts->point_springs_txt, + "noe_txt", &opts->noe_txt, + "noe_json", &opts->noe_json, + "density_json", &opts->density_json ); if (code != 0) { @@ -210,7 +213,7 @@ static int _check_prms(struct options *opts) if (!_fill_prms_from_json(opts, setup)) { json_decref(setup); - ERR_MSG("Couldn't parse options from --setup-json"); + //ERR_MSG("Couldn't parse options from --setup-json"); return 1; } //json_decref(setup); @@ -282,17 +285,17 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo struct option long_options[] = { {"out-pdb", required_argument, 0, 0}, - {"out-json", required_argument, 0, 0}, + {"out-json", required_argument, 0, 0}, - {"print-step", no_argument, &prms.print_step, 1}, - {"print-stage", no_argument, &prms.print_stage, 1}, - {"print-noe-matrix", no_argument, &prms.print_noe_matrix, 1}, + {"print-step", no_argument, &prms.print_step, 1}, + {"print-stage", no_argument, &prms.print_stage, 1}, + {"print-noe-matrix", no_argument, &prms.print_noe_matrix, 1}, - {"psf", required_argument, 0, 0}, - {"prm", required_argument, 0, 0}, - {"rtf", required_argument, 0, 0}, - {"pdb", required_argument, 0, 0}, - {"json", required_argument, 0, 0}, + {"psf", required_argument, 0, 0}, + {"prm", required_argument, 0, 0}, + {"rtf", required_argument, 0, 0}, + {"pdb", required_argument, 0, 0}, + {"json", required_argument, 0, 0}, {"rec-psf", required_argument, 0, 0}, {"rec-prm", required_argument, 0, 0}, @@ -306,41 +309,42 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo {"lig-pdb", required_argument, 0, 0}, {"lig-json", required_argument, 0, 0}, - {"fixed-pdb", required_argument, 0, 0}, + {"fixed-pdb", required_argument, 0, 0}, - {"pair-springs-txt", required_argument, 0, 0}, - {"point-springs-txt", required_argument, 0, 0}, + {"pair-springs-txt", required_argument, 0, 0}, + {"point-springs-txt", required_argument, 0, 0}, - {"noe-txt", required_argument, 0, 0}, + {"noe-txt", required_argument, 0, 0}, {"noe-json", required_argument, 0, 0}, - {"density-json", required_argument, 0, 0}, - {"setup-json", required_argument, 0, 0}, - - {"nsteps", required_argument, 0, 0}, - - {"bonds-on", no_argument, &prms.bonds, 1}, - {"bonds-off", no_argument, &prms.bonds, 0}, - {"angles-on", no_argument, &prms.angles, 1}, - {"angles-off", no_argument, &prms.angles, 0}, - {"dihedrals-on", no_argument, &prms.dihedrals, 1}, - {"dihedrals-off", no_argument, &prms.dihedrals, 0}, - {"impropers-on", no_argument, &prms.impropers, 1}, - {"impropers-off", no_argument, &prms.impropers, 0}, - {"vdw-on", no_argument, &prms.vdw, 1}, - {"vdw-off", no_argument, &prms.vdw, 0}, - {"vdw03-on", no_argument, &prms.vdw03, 1}, - {"vdw03-off", no_argument, &prms.vdw03, 0}, - {"gbsa-on", no_argument, &prms.gbsa, 1}, - {"gbsa-off", no_argument, &prms.gbsa, 0}, - - {"fix-receptor", no_argument, &prms.fix_receptor, 1}, - {"fix-ligand", no_argument, &prms.fix_ligand, 1}, - {"score-only", no_argument, &prms.score_only, 1}, - {"verbosity", no_argument, &prms.verbosity, 1}, - {"help", no_argument, 0, 'h'}, - - {0, 0, 0, 0} + {"density-json", required_argument, 0, 0}, + + {"setup-json", required_argument, 0, 0}, + + {"nsteps", required_argument, 0, 0}, + + {"bonds-on", no_argument, &prms.bonds, 1}, + {"bonds-off", no_argument, &prms.bonds, 0}, + {"angles-on", no_argument, &prms.angles, 1}, + {"angles-off", no_argument, &prms.angles, 0}, + {"dihedrals-on", no_argument, &prms.dihedrals, 1}, + {"dihedrals-off", no_argument, &prms.dihedrals, 0}, + {"impropers-on", no_argument, &prms.impropers, 1}, + {"impropers-off", no_argument, &prms.impropers, 0}, + {"vdw-on", no_argument, &prms.vdw, 1}, + {"vdw-off", no_argument, &prms.vdw, 0}, + {"vdw03-on", no_argument, &prms.vdw03, 1}, + {"vdw03-off", no_argument, &prms.vdw03, 0}, + {"gbsa-on", no_argument, &prms.gbsa, 1}, + {"gbsa-off", no_argument, &prms.gbsa, 0}, + + {"fix-receptor", no_argument, &prms.fix_receptor, 1}, + {"fix-ligand", no_argument, &prms.fix_ligand, 1}, + {"score-only", no_argument, &prms.score_only, 1}, + {"verbosity", no_argument, &prms.verbosity, 1}, + {"help", no_argument, 0, 'h'}, + + {0, 0, 0, 0} }; int option_index = 0; @@ -360,18 +364,15 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo break; case 'h': - usage_message(argv); *error = false; prms.help = true; return prms; case '?': - usage_message(argv); *error = true; return prms; default: - usage_message(argv); *error = true; return prms; } @@ -407,7 +408,6 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo } if (_check_prms(&prms) != 0) { - usage_message(argv); *error = true; return prms; } @@ -418,6 +418,96 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo void usage_message(char *const *argv) { - fprintf(stderr, "Usage msg\n"); - printf("\nUsage %s [ options ]\n\n", argv[0]); + fprintf(stderr, "\nUsage %s [ options ]\n\n", argv[0]); + fprintf(stderr, "Energy minimization using LBFGS.\n" + "\n" + "A molecule can be passed using two modes: single file mode or rec/lig mode.\n" + "Rec/lig mode is used, when structure is passed using rec-* lig-* arguments,\n" + "and single file mode is enabled for the opposite. Structure can be passed\n" + "using a set of 4 files pdb, psf, rtf, prm or as a single json file which\n" + "contains coordinates as well as force field parameters. Also and pair of\n" + "json and pdb can be passed, if one want to use geometry from json and\n" + "coordinates from pdb.\n" + "\n" + "All flags can be as well filled by passing a global setup file to --setup-json,\n" + "so this one argument is enough to run minimization.\n" + "\n" + "Examples of different minimization setups can be found in examples/energy_setup.\n" + "\n" + " Output control:\n" + "\n" + " --out-pdb Where to write the minimized molecule(s)\n" + " --out-json Log file with energy terms\n" + " --print-step Log energies for every step\n" + " --print-stage Log energies for every stage\n" + " --print-noe-matrix Log NOE matrix is NOE calculation is on\n" + " --verbosity 0 - QUIET, 1 - ERROR, 2 - WARNING, 3 - INFO, >=4 - DEBUG\n" + "\n" + "\n" + " Single file mode:\n" + "\n" + " --psf Geometry\n" + " --prm Forcefield parameters\n" + " --rtf Topology file with residues description\n" + " --pdb Atom coordinates (can contain multiple models)\n" + " --json Json file with coordinates, geometry and force field parameters\n" + "\n" + " Parameters for rec/lig mode\n" + "\n" + " --rec-psf Receptor geometry\n" + " --rec-prm Receptor forcefield parameters\n" + " --rec-rtf Receptor topology file\n" + " --rec-pdb Receptor atom coordinates (can contain multiple models)\n" + " --rec-json Receptor json file with coordinates, geometry and force field parameters\n" + " --lig-psf Ligand geometry\n" + " --lig-prm Ligand forcefield parameters\n" + " --lig-rtf Ligand topology file with residues description\n" + " --lig-pdb Ligand atom coordinates (can contain multiple models)\n" + " --lig-json Ligand json file with coordinates, geometry and force field parameters\n" + "\n" + "\n" + " Minimization setup\n" + "\n" + " --nsteps Number of minimization steps\n" + "\n" + " Energy terms switches. Everything is on by default except for GBSA\n" + "\n" + " --bonds-on/--bonds-off Bonds energy term\n" + " --angles-on/--angles-off Angles\n" + " --dihedrals-on/--dihedrals-off Dihedrals\n" + " --impropers-on/--impropers-on Impropers\n" + " --vdw-on/--vdw-off VDW\n" + " --vdw03-on/--vdw03-off 1-4 VDW\n" + " --gbsa-on/gbsa-off GBSA\n" + "\n" + " Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms)\n" + "\n" + " --fixed-pdb PDB file with fixed atoms. Only atom ID is read (lines starting with ATOM)\n" + " --fix-receptor Fix receptor atoms (works only in rec/lig mode)\n" + " --fix-ligand Fix ligand atoms (works only in rec/lig mode)\n" + "\n" + " Distance restraints\n" + "\n" + " --pair-springs-txt Text file setup for pairwise restraints\n" + " --point-springs-txt Text file setup for pointwise restraints\n" + "\n" + " NOE setup\n" + "\n" + " --noe-txt Text file setup for NOE\n" + " --noe-json Json file setup for NOE\n" + "\n" + " Density setup\n" + "\n" + " --density-json Json file setup for density fitting\n" + "\n" + " Global setup in json format\n" + "\n" + " --setup-json This file duplicates all the other options. It also allows for\n" + " multistage minimization protocol, where each stage can have\n" + " different minimization terms\n" + "\n" + " Miscellaneous\n" + "\n" + " --score-only Score only without doing minimization\n" + " --help Show this message and exit\n\n"); } diff --git a/src/setup.c b/src/setup.c index 711e248..f54a28a 100644 --- a/src/setup.c +++ b/src/setup.c @@ -997,7 +997,7 @@ bool energy_prms_populate_from_options( } }*/ - // NOE + // NO json_t* stage_noe = json_object_get(stage_desc, "noe"); if (stage_noe) { stage_prms->nmr = _noe_setup_read_json(stage_noe); diff --git a/src/usage.txt b/src/usage.txt index 7aa9507..b31a6e3 100644 --- a/src/usage.txt +++ b/src/usage.txt @@ -2,16 +2,16 @@ Energy minimization using LBFGS. A molecule can be passed using two modes: single file mode or rec/lig mode. Rec/lig mode is used, when structure is passed using rec-* lig-* arguments, -and single file mode is enabled for the opposite. Structure can be passed -using a set of 4 files pdb, psf, rtf, prm or as a single json file which -contains coordinates as well as force field parameters. Also and pair of -json and pdb can be passed, if one want to use geometry from json and +and single file mode is enabled for the opposite. Structure can be passed +using a set of 4 files pdb, psf, rtf, prm or as a single json file which +contains coordinates as well as force field parameters. Also and pair of +json and pdb can be passed, if one want to use geometry from json and coordinates from pdb. All flags can be as well filled by passing a global setup file to --setup-json, so this one argument is enough to run minimization. -Examples of different minimization setups can be found in examples/energy_setup +Examples of different minimization setups can be found in examples/energy_setup. Output control: diff --git a/src/utils.c b/src/utils.c index 605e29f..7c6d1f2 100644 --- a/src/utils.c +++ b/src/utils.c @@ -6,10 +6,10 @@ enum VERBOSITY_LEVELS VERBOSITY = QUIET; json_t* read_json_file(const char *path) { - json_error_t error; - json_t* root = json_load_file(path, 0, &error); + json_error_t j_error; + json_t* root = json_load_file(path, 0, &j_error); if (root == NULL) { - ERR_MSG("Can't load file %s", path); + JSON_ERR_MSG(j_error, "Can't load file %s", path); return NULL; } return root; diff --git a/src/utils.h b/src/utils.h index 0729f8a..fc2650a 100644 --- a/src/utils.h +++ b/src/utils.h @@ -17,59 +17,59 @@ enum VERBOSITY_LEVELS { extern enum VERBOSITY_LEVELS VERBOSITY; -#define JSON_ERR_MSG(json_error, fmt, ...) do { \ - if (VERBOSITY > QUIET) { \ - fprintf(stderr, \ - "[Json parse error] (%s:%i, %s):\n\n" \ - " " fmt "\n\n" \ - " Source: %s\n" \ - " Message: %s\n" \ - " Line: %i\n" \ - " Column: %i\n\n", \ - __FILE__, __LINE__, __func__ \ - ##__VA_ARGS__, \ - json_error.source, \ - json_error.text, \ - json_error.line, \ - json_error.column); \ - } \ +#define JSON_ERR_MSG(json_error, fmt, ...) do { \ + if (VERBOSITY > QUIET) { \ + fprintf(stderr, \ + "[Json parse error] (%s:%i, %s):\n\n" \ + " " fmt "\n\n" \ + " Source: %s\n" \ + " Message: %s\n" \ + " Line: %i\n" \ + " Column: %i\n\n", \ + __FILE__, __LINE__, __func__, \ + ##__VA_ARGS__, \ + json_error.source, \ + json_error.text, \ + json_error.line, \ + json_error.column); \ + } \ } while(0) -#define ERR_MSG(fmt, ...) do { \ - if (VERBOSITY > QUIET) { \ - fprintf(stderr, \ - "[Error] (%s:%i, %s):\n\n" \ - " " fmt "\n\n", \ - __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ - } \ +#define ERR_MSG(fmt, ...) do { \ + if (VERBOSITY > QUIET) { \ + fprintf(stderr, \ + "[Error] (%s:%i, %s):\n\n" \ + " " fmt "\n\n", \ + __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ + } \ } while(0) -#define WRN_MSG(fmt, ...) do { \ - if (VERBOSITY > ERROR) { \ - fprintf(stderr, \ - "[Warning] (%s:%i, %s):\n\n" \ - " " fmt "\n\n", \ +#define WRN_MSG(fmt, ...) do { \ + if (VERBOSITY > ERROR) { \ + fprintf(stderr, \ + "[Warning] (%s:%i, %s):\n\n" \ + " " fmt "\n\n", \ __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ - } \ + } \ } while(0) -#define INFO_MSG(fmt, ...) do { \ - if (VERBOSITY > WARNING) { \ - fprintf(stderr, "[Info]: " fmt "\n", ##__VA_ARGS__); \ - } \ +#define INFO_MSG(fmt, ...) do { \ + if (VERBOSITY > WARNING) { \ + fprintf(stderr, "[Info]: " fmt "\n", ##__VA_ARGS__); \ + } \ } while(0) -#define DEBUG_MSG(fmt, ...) do { \ - if (VERBOSITY > INFO) { \ +#define DEBUG_MSG(fmt, ...) do { \ + if (VERBOSITY > INFO) { \ fprintf(stderr,"[Debug]: " fmt "\n", ##__VA_ARGS__); \ - } \ + } \ } while(0) -#define FOPEN_ELSE(handle, path, mode) \ - handle = fopen((path), (mode)); \ - if ((handle) == NULL) { \ - ERR_MSG("Can't open %s", (path)); \ - } \ +#define FOPEN_ELSE(handle, path, mode) \ + handle = fopen((path), (mode)); \ + if ((handle) == NULL) { \ + ERR_MSG("Can't open %s", (path)); \ + } \ if ((handle) == NULL) From 12388ac509efe2c74b41483cbf243d8100dee6c6 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Mon, 11 May 2020 01:08:57 -0400 Subject: [PATCH 13/31] Added density --- CMakeLists.txt | 13 +- README.md | 22 ++- examples/energy_setup/density.json | 5 + examples/energy_setup/density.pdb | 42 ++++++ examples/usage/density.pdb | 42 ++++++ examples/usage/setup.json | 8 + src/energy.c | 22 +-- src/minimize.c | 19 ++- src/setup.c | 211 ++++++++++++++------------- src/setup.h | 5 +- src/utils.c | 4 +- src/utils.h | 14 +- test/data/density.json | 5 + test/data/density.pdb | 42 ++++++ test/data/setup_density.json | 12 ++ test/data/setup_density_invalid.json | 12 ++ test/test_all.c | 41 +++++- 17 files changed, 375 insertions(+), 144 deletions(-) create mode 100644 examples/energy_setup/density.pdb create mode 100644 examples/usage/density.pdb create mode 100644 test/data/density.json create mode 100644 test/data/density.pdb create mode 100644 test/data/setup_density.json create mode 100644 test/data/setup_density_invalid.json diff --git a/CMakeLists.txt b/CMakeLists.txt index b2a6a6b..7f5ead1 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -12,13 +12,20 @@ set(CMAKE_CXX_STANDARD 11) set(CMAKE_CXX_STANDARD_REQUIRED ON) set(CMAKE_CXX_EXTENSIONS OFF) -option(LTO "Link Time Optimization" ON) -option(BUILD_TESTS "Build tests" ON) +option(LTO "Link Time Optimization" ON) +option(BUILD_TESTS "Build tests" ON) +option(USE_SANITIZER "Build with address sanitizer" OFF) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") if(CMAKE_BUILD_TYPE STREQUAL "Debug") - add_compile_options(-Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) + add_compile_options(-pg -Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) +endif() + +if(USE_SANITIZER) + set(SANITIZER_FLAGS "-fno-omit-frame-pointer -fsanitize=address,undefined") + set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${SANITIZER_FLAGS}") + set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${SANITIZER_FLAGS}") endif() find_package(Jansson REQUIRED) diff --git a/README.md b/README.md index 972600a..ed02b48 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ # NRGmin Utility for molecular mechanics energy minimization -### Installation ### +## Installation ### 1. Install [libmol2](https://bitbucket.org/bu-structure/libmol2/src/master) @@ -13,7 +13,11 @@ Utility for molecular mechanics energy minimization 3. The binary is in `build/nrgmin` -### How to run +## How to run + +Full list of parameters can be viewed by running `./nrgmin -h` + +### Passing a molecule A molecule can be passed using single file mode as a set of 4 files @@ -30,9 +34,19 @@ Or as a json file As well as in a rec/lig mode: ``` -./nrgmin ---rec-pdb mol.pdb --rec-psf mol.psf --rec-prm mol.prm --rec-rtf mol.rtf --lig-json lig.json +./nrgmin ---rec-pdb rec.pdb --rec-psf rec.psf --rec-prm rec.prm --rec-rtf rec.rtf --lig-json lig.json +``` + +If you want to use parameters from json file and coordinates from pdb + +``` +./nrgmin ---rec-pdb rec.pdb --rec-json rec.json --lig-pdb lig.pdb --lig-json lig.json ``` +Note: PDB file can contain multiple models (the number of models must match in rec/lig mode) + +### Energy function + Energy function setup is flexible, so you can switch terms on and off ``` @@ -66,7 +80,7 @@ To see all flags: ``` -### Master json format +### Master json file format for --setup-json Has two fields: `options`, which duplicates all existing flags, and `stages`. `Stages` is an array, where each entry describes a minimization stage and can use all existing flags. Fields specified in diff --git a/examples/energy_setup/density.json b/examples/energy_setup/density.json index e69de29..4f4a716 100644 --- a/examples/energy_setup/density.json +++ b/examples/energy_setup/density.json @@ -0,0 +1,5 @@ +{ + "weight": 1000, + "atom_radius": 2.0, + "pdb": "density.pdb" +} \ No newline at end of file diff --git a/examples/energy_setup/density.pdb b/examples/energy_setup/density.pdb new file mode 100644 index 0000000..dfe267c --- /dev/null +++ b/examples/energy_setup/density.pdb @@ -0,0 +1,42 @@ +ATOM 3599 C1 X 1 31.328 8.570 13.525 0.00 0.00 C +ATOM 3600 C2 X 1 31.163 8.375 15.041 0.00 0.00 C +ATOM 3601 C3 X 1 32.146 9.318 15.790 0.00 0.00 C +ATOM 3602 C4 X 1 31.601 9.927 17.089 0.00 0.00 C +ATOM 3603 C5 X 1 31.214 8.893 18.143 0.00 0.00 C +ATOM 3604 C6 X 1 30.742 9.555 19.431 0.00 0.00 C +ATOM 3605 C7 X 1 30.435 8.545 20.544 0.00 0.00 C +ATOM 3606 C8 X 1 29.442 7.453 20.166 0.00 0.00 C +ATOM 3607 O1 X 1 28.211 8.045 19.744 0.00 0.00 O +ATOM 3608 C9 X 1 27.197 7.077 19.521 0.00 0.00 C +ATOM 3609 C10 X 1 27.347 6.256 18.225 0.00 0.00 C +ATOM 3610 O2 X 1 27.967 5.188 18.222 0.00 0.00 O +ATOM 3611 N1 X 1 26.787 6.760 17.058 0.00 0.00 N +ATOM 3612 C11 X 1 26.671 5.864 15.878 0.00 0.00 C +ATOM 3613 C12 X 1 27.891 5.867 14.926 0.00 0.00 C +ATOM 3614 O3 X 1 27.813 5.493 13.758 0.00 0.00 O +ATOM 3615 N2 X 1 29.090 6.182 15.532 0.00 0.00 N +ATOM 3616 C13 X 1 30.381 5.877 14.905 0.00 0.00 C +ATOM 3617 C14 X 1 31.439 6.888 15.410 0.00 0.00 C +ATOM 3618 C15 X 1 30.747 4.390 15.215 0.00 0.00 C +ATOM 3619 C16 X 1 32.081 3.924 14.600 0.00 0.00 C +ATOM 3620 N3 X 1 32.070 3.933 13.138 0.00 0.00 N +ATOM 3621 C17 X 1 31.854 2.667 12.410 0.00 0.00 C +ATOM 3622 C18 X 1 32.744 1.481 12.740 0.00 0.00 C +ATOM 3623 C19 X 1 31.276 1.425 13.064 0.00 0.00 C +ATOM 3624 C20 X 1 31.482 2.901 10.946 0.00 0.00 C +ATOM 3625 C21 X 1 30.159 3.171 10.568 0.00 0.00 C +ATOM 3626 C22 X 1 29.810 3.364 9.232 0.00 0.00 C +ATOM 3627 C23 X 1 30.787 3.304 8.237 0.00 0.00 C +ATOM 3628 C24 X 1 32.131 3.053 8.553 0.00 0.00 C +ATOM 3629 C25 X 1 32.441 2.859 9.916 0.00 0.00 C +ATOM 3630 C26 X 1 33.239 2.977 7.487 0.00 0.00 C +ATOM 3631 C27 X 1 32.750 3.271 6.052 0.00 0.00 C +ATOM 3632 C28 X 1 34.342 4.011 7.806 0.00 0.00 C +ATOM 3633 C29 X 1 33.857 1.560 7.483 0.00 0.00 C +ATOM 3634 O4 X 1 30.831 4.205 16.644 0.00 0.00 O +ATOM 3635 C30 X 1 25.383 6.097 15.091 0.00 0.00 C +ATOM 3636 C31 X 1 26.547 8.187 16.851 0.00 0.00 C +ATOM 3637 H20 X 1 29.078 6.624 16.412 0.00 0.00 H +ATOM 3638 H27 X 1 32.972 4.300 12.835 0.00 0.00 H +ATOM 3639 H28 X 1 31.246 4.488 12.906 0.00 0.00 H +ATOM 3640 H46 X 1 31.547 4.755 17.000 0.00 0.00 H diff --git a/examples/usage/density.pdb b/examples/usage/density.pdb new file mode 100644 index 0000000..dfe267c --- /dev/null +++ b/examples/usage/density.pdb @@ -0,0 +1,42 @@ +ATOM 3599 C1 X 1 31.328 8.570 13.525 0.00 0.00 C +ATOM 3600 C2 X 1 31.163 8.375 15.041 0.00 0.00 C +ATOM 3601 C3 X 1 32.146 9.318 15.790 0.00 0.00 C +ATOM 3602 C4 X 1 31.601 9.927 17.089 0.00 0.00 C +ATOM 3603 C5 X 1 31.214 8.893 18.143 0.00 0.00 C +ATOM 3604 C6 X 1 30.742 9.555 19.431 0.00 0.00 C +ATOM 3605 C7 X 1 30.435 8.545 20.544 0.00 0.00 C +ATOM 3606 C8 X 1 29.442 7.453 20.166 0.00 0.00 C +ATOM 3607 O1 X 1 28.211 8.045 19.744 0.00 0.00 O +ATOM 3608 C9 X 1 27.197 7.077 19.521 0.00 0.00 C +ATOM 3609 C10 X 1 27.347 6.256 18.225 0.00 0.00 C +ATOM 3610 O2 X 1 27.967 5.188 18.222 0.00 0.00 O +ATOM 3611 N1 X 1 26.787 6.760 17.058 0.00 0.00 N +ATOM 3612 C11 X 1 26.671 5.864 15.878 0.00 0.00 C +ATOM 3613 C12 X 1 27.891 5.867 14.926 0.00 0.00 C +ATOM 3614 O3 X 1 27.813 5.493 13.758 0.00 0.00 O +ATOM 3615 N2 X 1 29.090 6.182 15.532 0.00 0.00 N +ATOM 3616 C13 X 1 30.381 5.877 14.905 0.00 0.00 C +ATOM 3617 C14 X 1 31.439 6.888 15.410 0.00 0.00 C +ATOM 3618 C15 X 1 30.747 4.390 15.215 0.00 0.00 C +ATOM 3619 C16 X 1 32.081 3.924 14.600 0.00 0.00 C +ATOM 3620 N3 X 1 32.070 3.933 13.138 0.00 0.00 N +ATOM 3621 C17 X 1 31.854 2.667 12.410 0.00 0.00 C +ATOM 3622 C18 X 1 32.744 1.481 12.740 0.00 0.00 C +ATOM 3623 C19 X 1 31.276 1.425 13.064 0.00 0.00 C +ATOM 3624 C20 X 1 31.482 2.901 10.946 0.00 0.00 C +ATOM 3625 C21 X 1 30.159 3.171 10.568 0.00 0.00 C +ATOM 3626 C22 X 1 29.810 3.364 9.232 0.00 0.00 C +ATOM 3627 C23 X 1 30.787 3.304 8.237 0.00 0.00 C +ATOM 3628 C24 X 1 32.131 3.053 8.553 0.00 0.00 C +ATOM 3629 C25 X 1 32.441 2.859 9.916 0.00 0.00 C +ATOM 3630 C26 X 1 33.239 2.977 7.487 0.00 0.00 C +ATOM 3631 C27 X 1 32.750 3.271 6.052 0.00 0.00 C +ATOM 3632 C28 X 1 34.342 4.011 7.806 0.00 0.00 C +ATOM 3633 C29 X 1 33.857 1.560 7.483 0.00 0.00 C +ATOM 3634 O4 X 1 30.831 4.205 16.644 0.00 0.00 O +ATOM 3635 C30 X 1 25.383 6.097 15.091 0.00 0.00 C +ATOM 3636 C31 X 1 26.547 8.187 16.851 0.00 0.00 C +ATOM 3637 H20 X 1 29.078 6.624 16.412 0.00 0.00 H +ATOM 3638 H27 X 1 32.972 4.300 12.835 0.00 0.00 H +ATOM 3639 H28 X 1 31.246 4.488 12.906 0.00 0.00 H +ATOM 3640 H46 X 1 31.547 4.755 17.000 0.00 0.00 H diff --git a/examples/usage/setup.json b/examples/usage/setup.json index 7621f8f..fa6b90b 100644 --- a/examples/usage/setup.json +++ b/examples/usage/setup.json @@ -42,6 +42,14 @@ "atom2": 3630 } ] + }, + { + "nsteps": 1000, + "density": { + "weight": 1000, + "atom_radius": 2.0, + "pdb": "density.pdb" + } } ] } \ No newline at end of file diff --git a/src/energy.c b/src/energy.c index 5100aca..b066665 100644 --- a/src/energy.c +++ b/src/energy.c @@ -18,10 +18,6 @@ lbfgsfloatval_t energy_func( lbfgsfloatval_t term_energy; struct energy_prms *energy_prm = (struct energy_prms *) prm; - if (energy_prm->json_log == NULL) { - energy_prm->json_log = json_array(); - } - json_t* energy_dict = json_object(); if (array != NULL) { @@ -124,12 +120,11 @@ lbfgsfloatval_t energy_func( } } - if (energy_prm->fit_prms != NULL) { - term_energy = mol_fitting_score_aglist(energy_prm->ag, - energy_prm->fit_prms->ag_list, - energy_prm->fit_prms->ag_count, - &energy_prm->fit_prms->prms, - energy_prm->fit_prms->weight); + if (energy_prm->density != NULL) { + term_energy = mol_fitting_score(energy_prm->ag, + energy_prm->density->ag, + &energy_prm->density->prms, + energy_prm->density->weight); json_object_set_new(energy_dict, "density", json_real(term_energy)); total_energy += term_energy; } @@ -144,7 +139,12 @@ lbfgsfloatval_t energy_func( } json_object_set_new(energy_dict, "total", json_real(total_energy)); - json_array_append_new(energy_prm->json_log, energy_dict); + + if (energy_prm->json_log) { + json_array_append_new(energy_prm->json_log, energy_dict); + } else { + json_decref(energy_dict); + } return total_energy; } diff --git a/src/minimize.c b/src/minimize.c index 0950a18..d348804 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -71,6 +71,13 @@ int main(int argc, char **argv) { struct mol_atom_group *ag = &ag_list->members[modeli]; ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); + struct agsetup ag_setup; + + // Setup fixed atoms and nblists + mol_fixed_init(ag); + init_nblst(ag, &ag_setup); + update_nblst(ag, &ag_setup); + // Run stages of minimization for (size_t stage_id = 0; stage_id < nstages; stage_id++) { INFO_MSG("Stage %zu", stage_id); @@ -79,19 +86,14 @@ int main(int argc, char **argv) { struct energy_prms *stage_prms = &min_prms[stage_id]; stage_prms->ag = ag; - struct agsetup ag_setup; struct acesetup ace_setup; - // Setup fixed atoms and nblists - mol_fixed_init(ag); - if (stage_prms->fixed) { mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); } else { mol_fixed_update(ag, 0, NULL); } - init_nblst(ag, &ag_setup); update_nblst(ag, &ag_setup); // Set up GBSA @@ -109,8 +111,7 @@ int main(int argc, char **argv) { // Minimize energy if (!stage_prms->score_only) { - stage_prms->json_log = NULL; - + stage_prms->json_log = json_array(); mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); // Record energy every time it was evaluated @@ -119,12 +120,12 @@ int main(int argc, char **argv) { } else { json_decref(stage_prms->json_log); } - stage_prms->json_log = NULL; } // Record final energy if (stage_prms->json_log_setup.print_stage) { + stage_prms->json_log = json_array();; energy_func((void *) stage_prms, NULL, NULL, 0, 0); json_t *final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); json_object_set_new(json_log_stage, "final", final_energy); @@ -133,6 +134,7 @@ int main(int argc, char **argv) { } json_array_append_new(json_log_model, json_log_stage); + //free_acesetup(&ace_setup); } mol_fwrite_pdb(out_pdb, ag); @@ -142,6 +144,7 @@ int main(int argc, char **argv) { fprintf(out_pdb, "ENDMDL\n"); } + //free_agsetup(&ag_setup); INFO_MSG("Finished model %zu", modeli); } diff --git a/src/setup.c b/src/setup.c index f54a28a..2d7555f 100644 --- a/src/setup.c +++ b/src/setup.c @@ -6,6 +6,11 @@ #include "mol2/icharmm.h" +/* ************************************** + * Creating atom groups * + ****************************************/ + + static struct mol_atom_group_list *_read_ag_list( const char *prm, const char *rtf, @@ -190,6 +195,11 @@ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *opt } +/* ************************************** + * Fixed atoms * + ****************************************/ + + static void _fixed_setup_free(struct fixed_setup **fixed) { if (*fixed != NULL) { @@ -239,19 +249,18 @@ static struct fixed_setup* _fixed_setup_read_txt(const char *path) { } -static struct fixed_setup* _fixed_setup_read_json(const json_t *root) -{ +static struct fixed_setup* _fixed_setup_read_json(const json_t *root) { if (!json_is_array(root)) { ERR_MSG("Fixed atoms json setup must be an array"); return NULL; } - struct fixed_setup* result = calloc(1, sizeof(struct fixed_setup)); + struct fixed_setup *result = calloc(1, sizeof(struct fixed_setup)); result->natoms = json_array_size(root); result->atoms = calloc(result->natoms, sizeof(size_t)); size_t counter; - json_t* atom_id; + json_t *atom_id; json_array_foreach(root, counter, atom_id) { if (!json_is_integer(atom_id)) { _fixed_setup_free(&result); @@ -265,15 +274,6 @@ static struct fixed_setup* _fixed_setup_read_json(const json_t *root) } -static void _pairsprings_setup_free(struct pairsprings_setup **sprst) { - if (*sprst != NULL) { - free((*sprst)->springs); - free(*sprst); - *sprst = NULL; - } -} - - static struct fixed_setup* _fixed_setup_atom_range(const size_t start_atom, const size_t end_atom) { struct fixed_setup* fixed = calloc(1, sizeof(struct fixed_setup)); @@ -286,6 +286,20 @@ static struct fixed_setup* _fixed_setup_atom_range(const size_t start_atom, cons } +/* ************************************** + * Pairsprings * + ****************************************/ + + +static void _pairsprings_setup_free(struct pairsprings_setup **sprst) { + if (*sprst != NULL) { + free((*sprst)->springs); + free(*sprst); + *sprst = NULL; + } +} + + static struct pairsprings_setup *_pairsprings_setup_read_txt(const char *path) { FILE *fp; FOPEN_ELSE(fp, path, "r") { @@ -368,49 +382,6 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root error = true; break; } - - /*double dv; - size_t iv; - - json_t* value = json_object_get(spring, "length"); - if (!value || !(dv = json_number_value(value))) { - ERR_MSG("sf"); - error = true; - break; - } - spring_set[counter].length = dv; - - value = json_object_get(spring, "error"); - if (!value || !(dv = json_number_value(value))) { - ERR_MSG("sf"); - error = true; - break; - } - spring_set[counter].error= dv; - - value = json_object_get(spring, "weight"); - if (!value || !(dv = json_number_value(value))) { - ERR_MSG("sf"); - error = true; - break; - } - spring_set[counter].weight = dv; - - value = json_object_get(spring, "atom1"); - if (!value || !(iv = json_integer_value(value))) { - ERR_MSG("sf"); - error = true; - break; - } - spring_set[counter].atoms[0] = iv - 1; - - value = json_object_get(spring, "atom2"); - if (!value || !(iv = json_integer_value(value))) { - ERR_MSG("sf"); - error = true; - break; - } - spring_set[counter].atoms[1] = iv - 1;*/ } if (error) { @@ -427,6 +398,11 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root } +/* ************************************** + * Pointsprings * + ****************************************/ + + static void _pointsprings_setup_free(struct pointsprings_setup **sprst) { if (*sprst != NULL) { for (size_t i = 0; i < (*sprst)->nsprings; i++) { @@ -557,51 +533,76 @@ static struct pointsprings_setup *_pointsprings_setup_read_json(const json_t *ro } -/*struct density_setup *density_setup_create(char *fitting_pdblist, double weight, double radius) { - struct density_setup *fit_prms = calloc(1, sizeof(struct density_setup)); +/* ************************************** + * Density * + ****************************************/ - FILE *f = _fopen_err(fitting_pdblist, "r"); - char pdb_file[512]; - struct mol_atom_group **aglist = calloc(1, sizeof(struct mol_atom_group *)); - int ag_count = 0; - int cur_size = 1; - while (fgets(pdb_file, 512, f) != NULL) { - // Remove new line character - for (int i = 0; i < 512; i++) { - if (pdb_file[i] == '\n') { - pdb_file[i] = '\0'; - break; - } + +void _density_setup_free(struct density_setup** density) +{ + if (*density != NULL) { + if ((*density)->ag != NULL) { + mol_atom_group_free((*density)->ag); } + free(*density); + *density = NULL; + } +} - struct mol_atom_group *ag = mol_read_pdb(pdb_file); - ag_count++; - if (ag_count > cur_size) { - cur_size *= 2; - aglist = realloc(aglist, cur_size * sizeof(struct mol_atom_group *)); - } +static struct density_setup* _density_setup_read_json(json_t* root) +{ + json_error_t j_error; + int code; - aglist[ag_count - 1] = ag; + struct density_setup *density = calloc(1, sizeof(struct density_setup)); + density->ag = NULL; + char* pdb; + + code = json_unpack_ex( + root, &j_error, JSON_STRICT, + "{s:s, s:F, s:F}", + "pdb", &pdb, + "weight", &density->weight, + "atom_radius", &density->prms.radius); + + if (code != 0) { + JSON_ERR_MSG(j_error, "Couldn't parse density setup"); + _density_setup_free(&density); + return NULL; } - fit_prms->ag_list = aglist; - fit_prms->ag_count = ag_count; - fit_prms->prms.radius = radius; - fit_prms->weight = weight; - return fit_prms; + struct mol_atom_group* ag = mol_read_pdb(pdb); + if (!ag) { + ERR_MSG("Couldn't read atom group in density setup"); + _density_setup_free(&density); + return NULL; + } + density->ag = ag; + + return density; } -void density_setup_free(struct density_setup **prms) { - if (prms != NULL) { - for (int i = 0; i < prms->ag_count; i++) { - mol_atom_group_free(prms->ag_list[i]); - } - free(prms->ag_list); - free(prms); +static struct density_setup *_density_setup_read_json_file(const char *path) { + json_t* root = read_json_file(path); + if (!root) { + return NULL; + } + + struct density_setup* result = _density_setup_read_json(root); + if (!result) { + json_decref(root); + return NULL; } -}*/ + + return result; +} + + +/* ************************************** + * NOE * + ****************************************/ static void _noe_setup_free(struct noe_setup **noe) { @@ -724,13 +725,18 @@ static struct noe_setup *_noe_setup_read_json_file(const char *path) { } +/* ************************************** + * Populate energy parameters * + ****************************************/ + + void energy_prms_free(struct energy_prms **prms, size_t nstages) { if (*prms != NULL) { for (size_t i = 0; i < nstages; i++) { _pairsprings_setup_free(&((*prms)->sprst_pairs)); _pointsprings_setup_free(&((*prms)->sprst_points)); - //density_setup_free(&((*prms)->fit_prms)); + _density_setup_free(&((*prms)->density)); _noe_setup_free(&((*prms)->nmr)); _fixed_setup_free(&((*prms)->fixed)); } @@ -759,7 +765,7 @@ bool energy_prms_populate_from_options( all_stage_prms->sprst_pairs = NULL; all_stage_prms->sprst_points = NULL; all_stage_prms->nmr = NULL; - all_stage_prms->fit_prms = NULL; + all_stage_prms->density = NULL; all_stage_prms->fixed = NULL; all_stage_prms->nsteps = opts.nsteps; @@ -860,16 +866,15 @@ bool energy_prms_populate_from_options( } } - /* if (opts.density_json) { - all_stage_prms->fit_prms = density_setup_read_json_file(opts.density_json); + all_stage_prms->density = _density_setup_read_json_file(opts.density_json); - if (!all_stage_prms->fit_prms) { - ERR_MSG("SDF"); + if (!all_stage_prms->density) { + ERR_MSG("Couldn't parse density from %s", opts.density_json); energy_prms_free(&all_stage_prms, nstages); return false; } - }*/ + } // read json json_t* setup = NULL; @@ -987,17 +992,19 @@ bool energy_prms_populate_from_options( } } - /*json_t* stage_density = json_object_get(stage_desc, "density"); + // Density + json_t* stage_density = json_object_get(stage_desc, "density"); if (stage_density) { - stage_prms->fit_prms = density_setup_read_json(stage_density); + stage_prms->density = _density_setup_read_json(stage_density); json_decref(stage_density); - if (!stage_prms->fit_prms) { + if (!stage_prms->density) { + ERR_MSG("Couldn't parse density from %s", opts.setup_json); error = true; break; } - }*/ + } - // NO + // NOE json_t* stage_noe = json_object_get(stage_desc, "noe"); if (stage_noe) { stage_prms->nmr = _noe_setup_read_json(stage_noe); diff --git a/src/setup.h b/src/setup.h index 5fd22cc..877d9ec 100644 --- a/src/setup.h +++ b/src/setup.h @@ -42,7 +42,7 @@ struct energy_prms { struct pairsprings_setup *sprst_pairs; ///< Pairwise distance restraints struct pointsprings_setup *sprst_points; ///< Pointwise distance restraints struct noe_setup *nmr; ///< NOE matrix restraints - struct density_setup *fit_prms; ///< Density fitting + struct density_setup *density; ///< Density fitting struct fixed_setup *fixed; ///< Fixed atoms int nsteps; ///< Max number of steps during minimization @@ -65,8 +65,7 @@ struct noe_setup { struct density_setup { double weight; - size_t ag_count; - struct mol_atom_group **ag_list; + struct mol_atom_group *ag; struct mol_fitting_params prms; }; diff --git a/src/utils.c b/src/utils.c index 7c6d1f2..6b83869 100644 --- a/src/utils.c +++ b/src/utils.c @@ -1,14 +1,14 @@ #include "utils.h" -enum VERBOSITY_LEVELS VERBOSITY = QUIET; +enum VERBOSITY_LEVELS VERBOSITY = ERROR; // TODO: decide where it's better to initialize this flag json_t* read_json_file(const char *path) { json_error_t j_error; json_t* root = json_load_file(path, 0, &j_error); - if (root == NULL) { + if (!root) { JSON_ERR_MSG(j_error, "Can't load file %s", path); return NULL; } diff --git a/src/utils.h b/src/utils.h index fc2650a..5e038a4 100644 --- a/src/utils.h +++ b/src/utils.h @@ -21,11 +21,11 @@ extern enum VERBOSITY_LEVELS VERBOSITY; if (VERBOSITY > QUIET) { \ fprintf(stderr, \ "[Json parse error] (%s:%i, %s):\n\n" \ - " " fmt "\n\n" \ - " Source: %s\n" \ - " Message: %s\n" \ - " Line: %i\n" \ - " Column: %i\n\n", \ + " " fmt "\n\n" \ + " Source: %s\n" \ + " Message: %s\n" \ + " Line: %i\n" \ + " Column: %i\n\n", \ __FILE__, __LINE__, __func__, \ ##__VA_ARGS__, \ json_error.source, \ @@ -39,7 +39,7 @@ extern enum VERBOSITY_LEVELS VERBOSITY; if (VERBOSITY > QUIET) { \ fprintf(stderr, \ "[Error] (%s:%i, %s):\n\n" \ - " " fmt "\n\n", \ + " " fmt "\n\n", \ __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ } \ } while(0) @@ -48,7 +48,7 @@ extern enum VERBOSITY_LEVELS VERBOSITY; if (VERBOSITY > ERROR) { \ fprintf(stderr, \ "[Warning] (%s:%i, %s):\n\n" \ - " " fmt "\n\n", \ + " " fmt "\n\n", \ __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ } \ } while(0) diff --git a/test/data/density.json b/test/data/density.json new file mode 100644 index 0000000..4f4a716 --- /dev/null +++ b/test/data/density.json @@ -0,0 +1,5 @@ +{ + "weight": 1000, + "atom_radius": 2.0, + "pdb": "density.pdb" +} \ No newline at end of file diff --git a/test/data/density.pdb b/test/data/density.pdb new file mode 100644 index 0000000..dfe267c --- /dev/null +++ b/test/data/density.pdb @@ -0,0 +1,42 @@ +ATOM 3599 C1 X 1 31.328 8.570 13.525 0.00 0.00 C +ATOM 3600 C2 X 1 31.163 8.375 15.041 0.00 0.00 C +ATOM 3601 C3 X 1 32.146 9.318 15.790 0.00 0.00 C +ATOM 3602 C4 X 1 31.601 9.927 17.089 0.00 0.00 C +ATOM 3603 C5 X 1 31.214 8.893 18.143 0.00 0.00 C +ATOM 3604 C6 X 1 30.742 9.555 19.431 0.00 0.00 C +ATOM 3605 C7 X 1 30.435 8.545 20.544 0.00 0.00 C +ATOM 3606 C8 X 1 29.442 7.453 20.166 0.00 0.00 C +ATOM 3607 O1 X 1 28.211 8.045 19.744 0.00 0.00 O +ATOM 3608 C9 X 1 27.197 7.077 19.521 0.00 0.00 C +ATOM 3609 C10 X 1 27.347 6.256 18.225 0.00 0.00 C +ATOM 3610 O2 X 1 27.967 5.188 18.222 0.00 0.00 O +ATOM 3611 N1 X 1 26.787 6.760 17.058 0.00 0.00 N +ATOM 3612 C11 X 1 26.671 5.864 15.878 0.00 0.00 C +ATOM 3613 C12 X 1 27.891 5.867 14.926 0.00 0.00 C +ATOM 3614 O3 X 1 27.813 5.493 13.758 0.00 0.00 O +ATOM 3615 N2 X 1 29.090 6.182 15.532 0.00 0.00 N +ATOM 3616 C13 X 1 30.381 5.877 14.905 0.00 0.00 C +ATOM 3617 C14 X 1 31.439 6.888 15.410 0.00 0.00 C +ATOM 3618 C15 X 1 30.747 4.390 15.215 0.00 0.00 C +ATOM 3619 C16 X 1 32.081 3.924 14.600 0.00 0.00 C +ATOM 3620 N3 X 1 32.070 3.933 13.138 0.00 0.00 N +ATOM 3621 C17 X 1 31.854 2.667 12.410 0.00 0.00 C +ATOM 3622 C18 X 1 32.744 1.481 12.740 0.00 0.00 C +ATOM 3623 C19 X 1 31.276 1.425 13.064 0.00 0.00 C +ATOM 3624 C20 X 1 31.482 2.901 10.946 0.00 0.00 C +ATOM 3625 C21 X 1 30.159 3.171 10.568 0.00 0.00 C +ATOM 3626 C22 X 1 29.810 3.364 9.232 0.00 0.00 C +ATOM 3627 C23 X 1 30.787 3.304 8.237 0.00 0.00 C +ATOM 3628 C24 X 1 32.131 3.053 8.553 0.00 0.00 C +ATOM 3629 C25 X 1 32.441 2.859 9.916 0.00 0.00 C +ATOM 3630 C26 X 1 33.239 2.977 7.487 0.00 0.00 C +ATOM 3631 C27 X 1 32.750 3.271 6.052 0.00 0.00 C +ATOM 3632 C28 X 1 34.342 4.011 7.806 0.00 0.00 C +ATOM 3633 C29 X 1 33.857 1.560 7.483 0.00 0.00 C +ATOM 3634 O4 X 1 30.831 4.205 16.644 0.00 0.00 O +ATOM 3635 C30 X 1 25.383 6.097 15.091 0.00 0.00 C +ATOM 3636 C31 X 1 26.547 8.187 16.851 0.00 0.00 C +ATOM 3637 H20 X 1 29.078 6.624 16.412 0.00 0.00 H +ATOM 3638 H27 X 1 32.972 4.300 12.835 0.00 0.00 H +ATOM 3639 H28 X 1 31.246 4.488 12.906 0.00 0.00 H +ATOM 3640 H46 X 1 31.547 4.755 17.000 0.00 0.00 H diff --git a/test/data/setup_density.json b/test/data/setup_density.json new file mode 100644 index 0000000..c37a4ad --- /dev/null +++ b/test/data/setup_density.json @@ -0,0 +1,12 @@ +{ + "stages": [ + { + "nsteps": 500, + "density": { + "weight": 1000, + "atom_radius": 2.0, + "pdb": "density.pdb" + } + } + ] +} \ No newline at end of file diff --git a/test/data/setup_density_invalid.json b/test/data/setup_density_invalid.json new file mode 100644 index 0000000..e09c65d --- /dev/null +++ b/test/data/setup_density_invalid.json @@ -0,0 +1,12 @@ +{ + "stages": [ + { + "nsteps": 500, + "density": { + "weight": 1000, + "atom_radius": 2.0, + "pdb": "non_existant.pdb" + } + } + ] +} \ No newline at end of file diff --git a/test/test_all.c b/test/test_all.c index 7b725cc..717b74d 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -455,8 +455,18 @@ START_TEST(test_energy_prm_from_flags) energy_prms_free(&prms, nstages); break; - default: - ck_assert(false); + case 9: + // Pass density + opts = options_get_default(); + opts.density_json = "density.json"; + + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_double_eq_tol(prms[0].density->weight, 1000, 0.001); + ck_assert_double_eq_tol(prms[0].density->prms.radius, 2, 0.001); + ck_assert_int_eq(prms[0].density->ag->natoms, 42); + energy_prms_free(&prms, nstages); + break; } } @@ -565,6 +575,29 @@ START_TEST(test_energy_prm_from_json) break; case 9: + // Pass density + opts = options_get_default(); + opts.setup_json = "setup_density.json"; + + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_double_eq_tol(prms[0].density->weight, 1000, 0.001); + ck_assert_double_eq_tol(prms[0].density->prms.radius, 2, 0.001); + ck_assert_int_eq(prms[0].density->ag->natoms, 42); + energy_prms_free(&prms, nstages); + break; + + case 10: + // Fail density + opts = options_get_default(); + opts.setup_json = "setup_density_invalid.json"; + + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); + energy_prms_free(&prms, nstages); + break; + + case 11: // Pass generic setup opts = options_get_default(); opts.separate = true; @@ -618,8 +651,8 @@ Suite *lists_suite(void) tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 8); tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 8); tcase_add_loop_test(tcase_real, test_mol_atom_group_list_from_options, 0, 7); - tcase_add_loop_test(tcase_real, test_energy_prm_from_flags, 0, 9); - tcase_add_loop_test(tcase_real, test_energy_prm_from_json, 0, 10); + tcase_add_loop_test(tcase_real, test_energy_prm_from_flags, 0, 10); + tcase_add_loop_test(tcase_real, test_energy_prm_from_json, 0, 12); suite_add_tcase(suite, tcase_real); return suite; From 13b4a18fbb5c093eb4e85ae9724089f477ff6b5d Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Mon, 11 May 2020 19:04:17 -0400 Subject: [PATCH 14/31] Fixed some memory leaks --- src/minimize.c | 18 ++++----- src/parse_options.c | 16 +++++--- src/setup.c | 89 +++++++++++++++++++++++++-------------------- src/setup.h | 3 +- 4 files changed, 71 insertions(+), 55 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index d348804..1dae1e4 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -69,14 +69,11 @@ int main(int argc, char **argv) { json_t* json_log_model = json_array(); struct mol_atom_group *ag = &ag_list->members[modeli]; - ag->gradients = calloc(ag->natoms, sizeof(struct mol_vector3)); - - struct agsetup ag_setup; // Setup fixed atoms and nblists + struct agsetup ag_setup; mol_fixed_init(ag); init_nblst(ag, &ag_setup); - update_nblst(ag, &ag_setup); // Run stages of minimization for (size_t stage_id = 0; stage_id < nstages; stage_id++) { @@ -86,8 +83,6 @@ int main(int argc, char **argv) { struct energy_prms *stage_prms = &min_prms[stage_id]; stage_prms->ag = ag; - struct acesetup ace_setup; - if (stage_prms->fixed) { mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); } else { @@ -98,6 +93,7 @@ int main(int argc, char **argv) { // Set up GBSA if (stage_prms->gbsa) { + struct acesetup ace_setup; ace_setup.efac = 0.5; ace_ini(ag, &ace_setup); ace_fixedupdate(ag, &ag_setup, &ace_setup); @@ -125,7 +121,7 @@ int main(int argc, char **argv) { // Record final energy if (stage_prms->json_log_setup.print_stage) { - stage_prms->json_log = json_array();; + stage_prms->json_log = json_array(); energy_func((void *) stage_prms, NULL, NULL, 0, 0); json_t *final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); json_object_set_new(json_log_stage, "final", final_energy); @@ -134,7 +130,10 @@ int main(int argc, char **argv) { } json_array_append_new(json_log_model, json_log_stage); - //free_acesetup(&ace_setup); + + if (stage_prms->ace_setup) { + destroy_acesetup(stage_prms->ace_setup); + } } mol_fwrite_pdb(out_pdb, ag); @@ -144,7 +143,8 @@ int main(int argc, char **argv) { fprintf(out_pdb, "ENDMDL\n"); } - //free_agsetup(&ag_setup); + destroy_agsetup(&ag_setup); + INFO_MSG("Finished model %zu", modeli); } diff --git a/src/parse_options.c b/src/parse_options.c index 324b609..14b6997 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -114,7 +114,7 @@ void options_free(struct options opts) } -static bool _fill_prms_from_json(struct options* opts, json_t* root) +static bool _fill_prms_from_json(struct options* opts, const json_t* root) { if (!json_is_object(root)) { return false; @@ -127,13 +127,12 @@ static bool _fill_prms_from_json(struct options* opts, json_t* root) if (!json_is_object(dict)) { ERR_MSG("Key 'options' must point to a dictionary"); - json_decref(dict); return false; } json_error_t error; - int code = json_unpack_ex( + /*int code = json_unpack_ex( dict, &error, JSON_STRICT, "{s?i, s?i " @@ -184,11 +183,18 @@ static bool _fill_prms_from_json(struct options* opts, json_t* root) "noe_txt", &opts->noe_txt, "noe_json", &opts->noe_json, "density_json", &opts->density_json - ); + );*/ + + int code = json_unpack_ex( + dict, &error, JSON_STRICT, + + "{s?i}", + + // integer options + "nsteps", &opts->nsteps); if (code != 0) { JSON_ERR_MSG(error, "Couldn't parse setup from json"); - json_decref(dict); return false; } diff --git a/src/setup.c b/src/setup.c index 2d7555f..309f299 100644 --- a/src/setup.c +++ b/src/setup.c @@ -6,6 +6,25 @@ #include "mol2/icharmm.h" +/** + * defines function _{POTENTIAL_NAME}_setup_read_json_file(const char *path) + */ +#define _POTENTIAL_SETUP_READ_JSON_FILE(NAME) \ + static struct NAME ## _setup* _ ## NAME ## _setup_read_json_file(const char *path) { \ + json_t* root = read_json_file(path); \ + if (!root) { \ + return NULL; \ + } \ + struct NAME ## _setup* result = _ ## NAME ## _setup_read_json(root); \ + if (!result) { \ + json_decref(root); \ + return NULL; \ + } \ + json_decref(root); \ + return result; \ + } + + /* ************************************** * Creating atom groups * ****************************************/ @@ -66,7 +85,7 @@ static struct mol_atom_group_list *_read_ag_list( for (size_t i = 0; i < fin_aglist->size; i++) { struct mol_atom_group* tmp_copy = mol_atom_group_copy(ag_json); fin_aglist->members[i] = *tmp_copy; - free(tmp_copy); // Do I need this? + free(tmp_copy); if (fin_aglist->members[i].natoms != ag_list->members[i].natoms) { DEBUG_MSG("Model %i in %s and %s have different atom numbers (%i, %i)", @@ -111,6 +130,8 @@ static struct mol_atom_group_list *_read_ag_list( } else if (ag_json != NULL) { DEBUG_MSG("Using geometry and coordinates from %s", json); ag_list = mol_atom_group_list_create(1); + //free(ag_json->gradients); + //ag_json->gradients = NULL; ag_list->members[0] = *ag_json; free(ag_json); @@ -136,6 +157,8 @@ static struct mol_atom_group_list* _merge_ag_lists( for (size_t i = 0; i < ag_list->size; i++) { struct mol_atom_group* _join = mol_atom_group_join(&ag1->members[i], &ag2->members[i]); + //free(_join->gradients); + //_join->gradients = NULL; ag_list->members[i] = *_join; free(_join); } @@ -179,6 +202,9 @@ struct mol_atom_group_list* mol_atom_group_list_from_options(struct options *opt ag_list = _merge_ag_lists(rec_list, lig_list); + mol_atom_group_list_free(rec_list); + mol_atom_group_list_free(lig_list); + } else { ag_list = _read_ag_list( opts->prm, @@ -398,6 +424,9 @@ static struct pairsprings_setup *_pairsprings_setup_read_json(const json_t *root } +//_POTENTIAL_SETUP_READ_JSON_FILE(pairsprings) + + /* ************************************** * Pointsprings * ****************************************/ @@ -533,12 +562,15 @@ static struct pointsprings_setup *_pointsprings_setup_read_json(const json_t *ro } +//_POTENTIAL_SETUP_READ_JSON_FILE(pointsprings) + + /* ************************************** * Density * ****************************************/ -void _density_setup_free(struct density_setup** density) +static void _density_setup_free(struct density_setup** density) { if (*density != NULL) { if ((*density)->ag != NULL) { @@ -584,20 +616,7 @@ static struct density_setup* _density_setup_read_json(json_t* root) } -static struct density_setup *_density_setup_read_json_file(const char *path) { - json_t* root = read_json_file(path); - if (!root) { - return NULL; - } - - struct density_setup* result = _density_setup_read_json(root); - if (!result) { - json_decref(root); - return NULL; - } - - return result; -} +_POTENTIAL_SETUP_READ_JSON_FILE(density) /* ************************************** @@ -709,20 +728,7 @@ static struct noe_setup *_noe_setup_read_json(json_t *root) { } -static struct noe_setup *_noe_setup_read_json_file(const char *path) { - json_t* root = read_json_file(path); - if (!root) { - return NULL; - } - - struct noe_setup* result = _noe_setup_read_json(root); - if (!result) { - json_decref(root); - return NULL; - } - - return result; -} +_POTENTIAL_SETUP_READ_JSON_FILE(noe) /* ************************************** @@ -734,11 +740,11 @@ void energy_prms_free(struct energy_prms **prms, size_t nstages) { if (*prms != NULL) { for (size_t i = 0; i < nstages; i++) { - _pairsprings_setup_free(&((*prms)->sprst_pairs)); - _pointsprings_setup_free(&((*prms)->sprst_points)); - _density_setup_free(&((*prms)->density)); - _noe_setup_free(&((*prms)->nmr)); - _fixed_setup_free(&((*prms)->fixed)); + _pairsprings_setup_free(&((*prms + i)->sprst_pairs)); + _pointsprings_setup_free(&((*prms + i)->sprst_points)); + _density_setup_free(&((*prms + i)->density)); + _noe_setup_free(&((*prms + i)->nmr)); + _fixed_setup_free(&((*prms + i)->fixed)); } free(*prms); *prms = NULL; @@ -878,9 +884,10 @@ bool energy_prms_populate_from_options( // read json json_t* setup = NULL; + json_t *setup_root = NULL; if (opts.setup_json) { - json_t *setup_root = read_json_file(opts.setup_json); + setup_root = read_json_file(opts.setup_json); if (!setup_root) { energy_prms_free(&all_stage_prms, nstages); return false; @@ -889,7 +896,7 @@ bool energy_prms_populate_from_options( setup = json_object_get(setup_root, "stages"); if (setup && !json_is_array(setup)) { ERR_MSG("Key 'stages' must point to a dictionary"); - json_decref(setup); + json_decref(setup_root); energy_prms_free(&all_stage_prms, nstages); return false; } @@ -996,7 +1003,6 @@ bool energy_prms_populate_from_options( json_t* stage_density = json_object_get(stage_desc, "density"); if (stage_density) { stage_prms->density = _density_setup_read_json(stage_density); - json_decref(stage_density); if (!stage_prms->density) { ERR_MSG("Couldn't parse density from %s", opts.setup_json); error = true; @@ -1016,14 +1022,17 @@ bool energy_prms_populate_from_options( } } - json_decref(setup); - if (error) { energy_prms_free(&all_stage_prms, nstages); + json_decref(setup_root); return false; } } + if (setup_root) { + json_decref(setup_root); + } + *result_energy_prm = all_stage_prms; *result_nstages = nstages; diff --git a/src/setup.h b/src/setup.h index 877d9ec..60cfa7d 100644 --- a/src/setup.h +++ b/src/setup.h @@ -116,7 +116,8 @@ void energy_prms_free(struct energy_prms **prms, size_t nstages); /** - * Create atom group list from command line arguments + * Create atom group list from command line arguments. Gradient is already allocated + * * @param opts Parsed command line options * @return List of atom groups to minimize */ From 06942cead1f44398e1cdc94494e22ce5660c49a9 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Mon, 11 May 2020 19:05:04 -0400 Subject: [PATCH 15/31] Removed examples/example1 --- examples/example1/BACE_4.json | 2479 ---- examples/example1/BACE_4.lig.2modelsclose.pdb | 88 - examples/example1/BACE_4.lig.2modelsfar.pdb | 88 - examples/example1/BACE_4.lig.far.pdb | 44 - examples/example1/BACE_4.psf | 11057 ---------------- examples/example1/BACE_4.rec.2models.pdb | 7202 ---------- examples/example1/BACE_4.rec.pdb | 3600 ----- examples/example1/density.pdb | 42 - .../example1/output_example/rec-lig-min.json | 22 - .../example1/output_example/rec-lig-min.pdb | 3655 ----- .../example1/output_example/rec-lig-orig.pdb | 3655 ----- .../output_example/rec-lig-score.json | 13 - examples/example1/output_example/rec-min.json | 22 - examples/example1/output_example/rec-min.pdb | 3613 ----- .../output_example/rec2-lig2-density.json | 46 - .../output_example/rec2-lig2-density.pdb | 7318 ---------- .../output_example/rec2-lig2-min.json | 42 - .../example1/output_example/rec2-lig2-min.pdb | 7314 ---------- .../output_example/rec2-lig2-pairspr.json | 46 - .../output_example/rec2-lig2-pairspr.pdb | 7318 ---------- .../rec2-lig2-pointspr-density.json | 50 - .../rec2-lig2-pointspr-density.pdb | 7322 ---------- .../output_example/rec2-lig2-pointspr.json | 46 - .../output_example/rec2-lig2-pointspr.pdb | 7318 ---------- .../example1/output_example/rec2-min.json | 42 - examples/example1/output_example/rec2-min.pdb | 7230 ---------- examples/example1/pairsprings.txt | 3 - examples/example1/parm.prm | 6718 ---------- examples/example1/pdbamino.rtf | 4327 ------ examples/example1/pointsprings-xl.txt | 26 - examples/example1/pointsprings.txt | 4 - examples/example1/run.sh | 49 - examples/usage/README.md | 6 +- src/parse_options.c | 12 +- 34 files changed, 5 insertions(+), 90812 deletions(-) delete mode 100644 examples/example1/BACE_4.json delete mode 100644 examples/example1/BACE_4.lig.2modelsclose.pdb delete mode 100644 examples/example1/BACE_4.lig.2modelsfar.pdb delete mode 100644 examples/example1/BACE_4.lig.far.pdb delete mode 100644 examples/example1/BACE_4.psf delete mode 100644 examples/example1/BACE_4.rec.2models.pdb delete mode 100644 examples/example1/BACE_4.rec.pdb delete mode 100644 examples/example1/density.pdb delete mode 100644 examples/example1/output_example/rec-lig-min.json delete mode 100644 examples/example1/output_example/rec-lig-min.pdb delete mode 100644 examples/example1/output_example/rec-lig-orig.pdb delete mode 100644 examples/example1/output_example/rec-lig-score.json delete mode 100644 examples/example1/output_example/rec-min.json delete mode 100644 examples/example1/output_example/rec-min.pdb delete mode 100644 examples/example1/output_example/rec2-lig2-density.json delete mode 100644 examples/example1/output_example/rec2-lig2-density.pdb delete mode 100644 examples/example1/output_example/rec2-lig2-min.json delete mode 100644 examples/example1/output_example/rec2-lig2-min.pdb delete mode 100644 examples/example1/output_example/rec2-lig2-pairspr.json delete mode 100644 examples/example1/output_example/rec2-lig2-pairspr.pdb delete mode 100644 examples/example1/output_example/rec2-lig2-pointspr-density.json delete mode 100644 examples/example1/output_example/rec2-lig2-pointspr-density.pdb delete mode 100644 examples/example1/output_example/rec2-lig2-pointspr.json delete mode 100644 examples/example1/output_example/rec2-lig2-pointspr.pdb delete mode 100644 examples/example1/output_example/rec2-min.json delete mode 100644 examples/example1/output_example/rec2-min.pdb delete mode 100644 examples/example1/pairsprings.txt delete mode 100644 examples/example1/parm.prm delete mode 100644 examples/example1/pdbamino.rtf delete mode 100644 examples/example1/pointsprings-xl.txt delete mode 100644 examples/example1/pointsprings.txt delete mode 100755 examples/example1/run.sh diff --git a/examples/example1/BACE_4.json b/examples/example1/BACE_4.json deleted file mode 100644 index 4cdb318..0000000 --- a/examples/example1/BACE_4.json +++ /dev/null @@ -1,2479 +0,0 @@ -{ - "angles": [ - { - "atom1": 1, - "atom2": 2, - "atom3": 3, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 1, - "atom2": 2, - "atom3": 19, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 2, - "atom2": 3, - "atom3": 4, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 2, - "atom2": 19, - "atom3": 18, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 3, - "atom2": 2, - "atom3": 19, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 3, - "atom2": 4, - "atom3": 5, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 4, - "atom2": 5, - "atom3": 6, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 5, - "atom2": 6, - "atom3": 7, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 6, - "atom2": 7, - "atom3": 8, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 7, - "atom2": 8, - "atom3": 9, - "spring_constant": 67.78, - "theta": 108.42 - }, - { - "atom1": 8, - "atom2": 9, - "atom3": 10, - "spring_constant": 62.39, - "theta": 112.45 - }, - { - "atom1": 9, - "atom2": 10, - "atom3": 11, - "spring_constant": 68.03, - "theta": 109.82 - }, - { - "atom1": 10, - "atom2": 11, - "atom3": 12, - "spring_constant": 68.03, - "theta": 123.11 - }, - { - "atom1": 10, - "atom2": 11, - "atom3": 13, - "spring_constant": 67.86, - "theta": 115.15 - }, - { - "atom1": 11, - "atom2": 13, - "atom3": 14, - "spring_constant": 63.92, - "theta": 121.35 - }, - { - "atom1": 11, - "atom2": 13, - "atom3": 38, - "spring_constant": 63.92, - "theta": 121.35 - }, - { - "atom1": 12, - "atom2": 11, - "atom3": 13, - "spring_constant": 75.83, - "theta": 122.03 - }, - { - "atom1": 13, - "atom2": 14, - "atom3": 15, - "spring_constant": 66.67, - "theta": 111.56 - }, - { - "atom1": 13, - "atom2": 14, - "atom3": 37, - "spring_constant": 65.85, - "theta": 112.13 - }, - { - "atom1": 14, - "atom2": 13, - "atom3": 38, - "spring_constant": 63.13, - "theta": 115.56 - }, - { - "atom1": 14, - "atom2": 15, - "atom3": 16, - "spring_constant": 68.03, - "theta": 123.11 - }, - { - "atom1": 14, - "atom2": 15, - "atom3": 17, - "spring_constant": 67.86, - "theta": 115.15 - }, - { - "atom1": 15, - "atom2": 14, - "atom3": 37, - "spring_constant": 63.79, - "theta": 110.53 - }, - { - "atom1": 15, - "atom2": 17, - "atom3": 18, - "spring_constant": 63.92, - "theta": 121.35 - }, - { - "atom1": 15, - "atom2": 17, - "atom3": 39, - "spring_constant": 49.21, - "theta": 118.46 - }, - { - "atom1": 16, - "atom2": 15, - "atom3": 17, - "spring_constant": 75.83, - "theta": 122.03 - }, - { - "atom1": 17, - "atom2": 18, - "atom3": 19, - "spring_constant": 65.85, - "theta": 112.13 - }, - { - "atom1": 17, - "atom2": 18, - "atom3": 20, - "spring_constant": 65.85, - "theta": 112.13 - }, - { - "atom1": 18, - "atom2": 17, - "atom3": 39, - "spring_constant": 46.04, - "theta": 116.78 - }, - { - "atom1": 18, - "atom2": 20, - "atom3": 21, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 18, - "atom2": 20, - "atom3": 36, - "spring_constant": 67.72, - "theta": 109.43 - }, - { - "atom1": 19, - "atom2": 18, - "atom3": 20, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 20, - "atom2": 21, - "atom3": 22, - "spring_constant": 64.45, - "theta": 114.32 - }, - { - "atom1": 20, - "atom2": 36, - "atom3": 42, - "spring_constant": 47.09, - "theta": 108.16 - }, - { - "atom1": 21, - "atom2": 20, - "atom3": 36, - "spring_constant": 67.72, - "theta": 109.43 - }, - { - "atom1": 21, - "atom2": 22, - "atom3": 23, - "spring_constant": 62.84, - "theta": 110.64 - }, - { - "atom1": 21, - "atom2": 22, - "atom3": 40, - "spring_constant": 46.19, - "theta": 110.11 - }, - { - "atom1": 21, 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"atom2": 23, - "atom3": 25, - "spring_constant": 87.9, - "theta": 60.0 - }, - { - "atom1": 24, - "atom2": 23, - "atom3": 26, - "spring_constant": 61.86, - "theta": 122.18 - }, - { - "atom1": 25, - "atom2": 23, - "atom3": 26, - "spring_constant": 61.86, - "theta": 122.18 - }, - { - "atom1": 26, - "atom2": 27, - "atom3": 28, - "spring_constant": 67.18, - "theta": 119.97 - }, - { - "atom1": 26, - "atom2": 31, - "atom3": 30, - "spring_constant": 67.18, - "theta": 119.97 - }, - { - "atom1": 27, - "atom2": 26, - "atom3": 31, - "spring_constant": 67.18, - "theta": 119.97 - }, - { - "atom1": 27, - "atom2": 28, - "atom3": 29, - "spring_constant": 67.18, - "theta": 119.97 - }, - { - "atom1": 28, - "atom2": 29, - "atom3": 30, - "spring_constant": 67.18, - "theta": 119.97 - }, - { - "atom1": 29, - "atom2": 30, - "atom3": 31, - "spring_constant": 67.18, - "theta": 119.97 - }, - { - "atom1": 29, - "atom2": 30, - "atom3": 32, - "spring_constant": 63.84, - "theta": 120.63 - }, - { - "atom1": 30, - "atom2": 32, - "atom3": 33, - "spring_constant": 63.25, - "theta": 112.09 - }, - { - "atom1": 30, - "atom2": 32, - "atom3": 34, - "spring_constant": 63.25, - "theta": 112.09 - }, - { - "atom1": 30, - "atom2": 32, - "atom3": 35, - "spring_constant": 63.25, - "theta": 112.09 - }, - { - "atom1": 31, - "atom2": 30, - "atom3": 32, - "spring_constant": 63.84, - "theta": 120.63 - }, - { - "atom1": 33, - "atom2": 32, - "atom3": 34, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 33, - "atom2": 32, - "atom3": 35, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 34, - "atom2": 32, - "atom3": 35, - "spring_constant": 63.21, - "theta": 110.63 - }, - { - "atom1": 40, - "atom2": 22, - "atom3": 41, - "spring_constant": 40.52, - "theta": 108.11 - } - ], - "atoms": [ - { - "ace_volume": 40.947, - "acp_type": -1, - "charge": 0.034001, - "element": "C", - "eps": -0.1811, - "eps03": -0.1, - "ftype_index": 1, - "ftype_name": "CH3E", - "name": "C1", - "radius": 2.165, - "radius03": 1.76, - "residue": "1", - "segment": "X", - "sybyl_type": "C.3", - "x": 31.328, - "y": 8.57, - "z": 13.525 - }, - { - "ace_volume": 12.257, - "acp_type": -1, - "charge": -0.024, - "element": "C", - "eps": -0.0486, - "eps03": -0.1, - "ftype_index": 2, - "ftype_name": "CH1E", - "name": "C2", - "radius": 2.265, - "radius03": 1.76, - "residue": "1", - "segment": "X", - "sybyl_type": "C.3", - "x": 31.163, - "y": 8.375, - "z": 15.041 - }, - { - "ace_volume": 35.356, - "acp_type": -1, - "charge": 0.029, - "element": "C", - "eps": -0.1142, - "eps03": -0.1, - "ftype_index": 3, - "ftype_name": "CH2E", - "name": "C3", - "radius": 2.235, - "radius03": 1.76, - "residue": "1", - "segment": "X", - "sybyl_type": "C.3", - "x": 32.146, - "y": 9.318, - "z": 15.79 - }, - { - "ace_volume": 35.356, - "acp_type": -1, - "charge": 0.0, - "element": "C", - "eps": -0.1142, - "eps03": -0.1, - "ftype_index": 3, - "ftype_name": "CH2E", - "name": "C4", - "radius": 2.235, - "radius03": 1.76, - "residue": 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26.816 1.943 23.790 0.00 0.00 C -ATOM 3600 C2 X 1 26.033 3.262 23.893 0.00 0.00 C -ATOM 3601 C3 X 1 26.973 4.457 23.711 0.00 0.00 C -ATOM 3602 C4 X 1 27.517 4.979 25.045 0.00 0.00 C -ATOM 3603 C5 X 1 27.276 6.491 25.181 0.00 0.00 C -ATOM 3604 C6 X 1 27.598 7.261 23.889 0.00 0.00 C -ATOM 3605 C7 X 1 26.611 8.423 23.706 0.00 0.00 C -ATOM 3606 C8 X 1 26.788 9.059 22.321 0.00 0.00 C -ATOM 3607 O1 X 1 25.880 8.439 21.393 0.00 0.00 O -ATOM 3608 C9 X 1 26.207 8.755 20.026 0.00 0.00 C -ATOM 3609 C10 X 1 25.194 8.137 19.086 0.00 0.00 C -ATOM 3610 O2 X 1 24.347 8.805 18.528 0.00 0.00 O -ATOM 3611 N1 X 1 25.268 6.802 18.889 0.00 0.00 N -ATOM 3612 C11 X 1 26.353 5.969 19.421 0.00 0.00 C -ATOM 3613 C12 X 1 25.938 4.922 20.432 0.00 0.00 C -ATOM 3614 O3 X 1 26.466 3.828 20.437 0.00 0.00 O -ATOM 3615 N2 X 1 24.958 5.317 21.286 0.00 0.00 N -ATOM 3616 C13 X 1 24.305 4.572 22.389 0.00 0.00 C -ATOM 3617 C14 X 1 24.923 3.235 22.833 0.00 0.00 C -ATOM 3618 C15 X 1 22.838 4.271 22.043 0.00 0.00 C -ATOM 3619 C16 X 1 21.935 5.508 22.118 0.00 0.00 C -ATOM 3620 N3 X 1 22.481 6.776 21.529 0.00 0.00 N -ATOM 3621 C17 X 1 21.413 7.789 21.219 0.00 0.00 C -ATOM 3622 C18 X 1 20.533 7.903 22.428 0.00 0.00 C -ATOM 3623 C19 X 1 21.666 8.867 22.228 0.00 0.00 C -ATOM 3624 C20 X 1 21.017 8.021 19.806 0.00 0.00 C -ATOM 3625 C21 X 1 20.226 7.080 19.128 0.00 0.00 C -ATOM 3626 C22 X 1 19.880 7.266 17.782 0.00 0.00 C -ATOM 3627 C23 X 1 20.325 8.423 17.130 0.00 0.00 C -ATOM 3628 C24 X 1 21.112 9.383 17.797 0.00 0.00 C -ATOM 3629 C25 X 1 21.441 9.183 19.149 0.00 0.00 C -ATOM 3630 C26 X 1 21.606 10.624 17.041 0.00 0.00 C -ATOM 3631 C27 X 1 22.623 10.211 15.963 0.00 0.00 C -ATOM 3632 C28 X 1 20.433 11.343 16.352 0.00 0.00 C -ATOM 3633 C29 X 1 22.300 11.659 17.952 0.00 0.00 C -ATOM 3634 O4 X 1 22.764 3.698 20.739 0.00 0.00 O -ATOM 3635 C30 X 1 27.288 5.397 18.346 0.00 0.00 C -ATOM 3636 C31 X 1 24.252 6.101 18.096 0.00 0.00 C -ATOM 3637 H20 X 1 24.613 6.256 21.162 0.00 0.00 H -ATOM 3638 H27 X 1 22.985 6.560 20.658 0.00 0.00 H -ATOM 3639 H28 X 1 23.177 7.179 22.175 0.00 0.00 H -ATOM 3640 H46 X 1 23.029 4.374 20.091 0.00 0.00 H -ENDMDL -MODEL 2 -ATOM 3599 C1 X 1 26.816 1.943 23.790 0.00 0.00 C -ATOM 3600 C2 X 1 26.033 3.262 23.893 0.00 0.00 C -ATOM 3601 C3 X 1 26.973 4.457 23.711 0.00 0.00 C -ATOM 3602 C4 X 1 27.517 4.979 25.045 0.00 0.00 C -ATOM 3603 C5 X 1 27.276 6.491 25.181 0.00 0.00 C -ATOM 3604 C6 X 1 27.598 7.261 23.889 0.00 0.00 C -ATOM 3605 C7 X 1 26.611 8.423 23.706 0.00 0.00 C -ATOM 3606 C8 X 1 26.788 9.059 22.321 0.00 0.00 C -ATOM 3607 O1 X 1 25.880 8.439 21.393 0.00 0.00 O -ATOM 3608 C9 X 1 26.207 8.755 20.026 0.00 0.00 C -ATOM 3609 C10 X 1 25.194 8.137 19.086 0.00 0.00 C -ATOM 3610 O2 X 1 24.347 8.805 18.528 0.00 0.00 O -ATOM 3611 N1 X 1 25.268 6.802 18.889 0.00 0.00 N -ATOM 3612 C11 X 1 26.353 5.969 19.421 0.00 0.00 C -ATOM 3613 C12 X 1 25.938 4.922 20.432 0.00 0.00 C -ATOM 3614 O3 X 1 26.466 3.828 20.437 0.00 0.00 O -ATOM 3615 N2 X 1 24.958 5.317 21.286 0.00 0.00 N -ATOM 3616 C13 X 1 24.305 4.572 22.389 0.00 0.00 C -ATOM 3617 C14 X 1 24.923 3.235 22.833 0.00 0.00 C -ATOM 3618 C15 X 1 22.838 4.271 22.043 0.00 0.00 C -ATOM 3619 C16 X 1 21.935 5.508 22.118 0.00 0.00 C -ATOM 3620 N3 X 1 22.481 6.776 21.529 0.00 0.00 N -ATOM 3621 C17 X 1 21.413 7.789 21.219 0.00 0.00 C -ATOM 3622 C18 X 1 20.533 7.903 22.428 0.00 0.00 C -ATOM 3623 C19 X 1 21.666 8.867 22.228 0.00 0.00 C -ATOM 3624 C20 X 1 21.017 8.021 19.806 0.00 0.00 C -ATOM 3625 C21 X 1 20.226 7.080 19.128 0.00 0.00 C -ATOM 3626 C22 X 1 19.880 7.266 17.782 0.00 0.00 C -ATOM 3627 C23 X 1 20.325 8.423 17.130 0.00 0.00 C -ATOM 3628 C24 X 1 21.112 9.383 17.797 0.00 0.00 C -ATOM 3629 C25 X 1 21.441 9.183 19.149 0.00 0.00 C -ATOM 3630 C26 X 1 21.606 10.624 17.041 0.00 0.00 C -ATOM 3631 C27 X 1 22.623 10.211 15.963 0.00 0.00 C -ATOM 3632 C28 X 1 20.433 11.343 16.352 0.00 0.00 C -ATOM 3633 C29 X 1 22.300 11.659 17.952 0.00 0.00 C -ATOM 3634 O4 X 1 22.764 3.698 20.739 0.00 0.00 O -ATOM 3635 C30 X 1 27.288 5.397 18.346 0.00 0.00 C -ATOM 3636 C31 X 1 24.252 6.101 18.096 0.00 0.00 C -ATOM 3637 H20 X 1 24.613 6.256 21.162 0.00 0.00 H -ATOM 3638 H27 X 1 22.985 6.560 20.658 0.00 0.00 H -ATOM 3639 H28 X 1 23.177 7.179 22.175 0.00 0.00 H -ATOM 3640 H46 X 1 23.029 4.374 20.091 0.00 0.00 H -ENDMDL diff --git a/examples/example1/BACE_4.lig.2modelsfar.pdb b/examples/example1/BACE_4.lig.2modelsfar.pdb deleted file mode 100644 index 725c02a..0000000 --- a/examples/example1/BACE_4.lig.2modelsfar.pdb +++ /dev/null @@ -1,88 +0,0 @@ -MODEL 1 -ATOM 3599 C1 LIG X 1 18.417 38.503 -9.803 0.00 3.00 C -ATOM 3600 C2 LIG X 1 18.971 39.106 -8.501 0.00 3.00 C -ATOM 3601 C3 LIG X 1 19.956 38.097 -7.847 0.00 3.00 C -ATOM 3602 C4 LIG X 1 21.180 38.727 -7.169 0.00 3.00 C -ATOM 3603 C5 LIG X 1 20.832 39.687 -6.033 0.00 3.00 C -ATOM 3604 C6 LIG X 1 22.084 40.230 -5.357 0.00 3.00 C -ATOM 3605 C7 LIG X 1 21.772 41.125 -4.150 0.00 3.00 C -ATOM 3606 C8 LIG X 1 20.829 42.287 -4.440 0.00 3.00 C -ATOM 3607 O1 LIG X 1 21.376 43.106 -5.475 0.00 2.00 O -ATOM 3608 C9 LIG X 1 20.618 44.287 -5.685 0.00 3.00 C -ATOM 3609 C10 LIG X 1 19.282 44.085 -6.429 0.00 3.00 C -ATOM 3610 O2 LIG X 1 18.238 43.869 -5.806 0.00 3.00 O -ATOM 3611 N1 LIG X 1 19.289 44.131 -7.818 0.00 3.00 N -ATOM 3612 C11 LIG X 1 17.990 44.226 -8.534 0.00 3.00 C -ATOM 3613 C12 LIG X 1 17.334 42.871 -8.891 0.00 3.00 C -ATOM 3614 O3 LIG X 1 16.488 42.765 -9.776 0.00 3.00 O -ATOM 3615 N2 LIG X 1 17.667 41.834 -8.045 0.00 3.00 N -ATOM 3616 C13 LIG X 1 16.878 40.596 -7.986 0.00 3.00 C -ATOM 3617 C14 LIG X 1 17.796 39.435 -7.535 0.00 3.00 C -ATOM 3618 C15 LIG X 1 15.660 40.828 -7.036 0.00 3.00 C -ATOM 3619 C16 LIG X 1 14.729 39.608 -6.890 0.00 3.00 C -ATOM 3620 N3 LIG X 1 14.069 39.241 -8.142 0.00 3.00 N -ATOM 3621 C17 LIG X 1 12.674 39.663 -8.374 0.00 3.00 C -ATOM 3622 C18 LIG X 1 11.630 39.324 -7.323 0.00 2.00 C -ATOM 3623 C19 LIG X 1 11.999 40.762 -7.574 0.00 2.00 C -ATOM 3624 C20 LIG X 1 12.275 39.550 -9.846 0.00 3.00 C -ATOM 3625 C21 LIG X 1 12.579 40.568 -10.760 0.00 3.00 C -ATOM 3626 C22 LIG X 1 12.200 40.480 -12.098 0.00 3.00 C -ATOM 3627 C23 LIG X 1 11.514 39.356 -12.559 0.00 3.00 C -ATOM 3628 C24 LIG X 1 11.194 38.296 -11.697 0.00 3.00 C -ATOM 3629 C25 LIG X 1 11.593 38.426 -10.349 0.00 3.00 C -ATOM 3630 C26 LIG X 1 10.437 37.039 -12.164 0.00 3.00 C -ATOM 3631 C27 LIG X 1 10.126 37.019 -13.677 0.00 2.00 C -ATOM 3632 C28 LIG X 1 11.282 35.780 -11.864 0.00 3.00 C -ATOM 3633 C29 LIG X 1 9.090 36.937 -11.413 0.00 3.00 C -ATOM 3634 O4 LIG X 1 16.137 41.178 -5.720 0.00 3.00 O -ATOM 3635 C30 LIG X 1 18.068 45.120 -9.770 0.00 3.00 C -ATOM 3636 C31 LIG X 1 20.480 43.832 -8.611 0.00 3.00 C -ATOM 3637 H20 LIG X 1 18.456 41.925 -7.464 0.00 2.00 H -ATOM 3638 H27 LIG X 1 14.085 38.222 -8.199 0.00 2.00 H -ATOM 3639 H28 LIG X 1 14.597 39.749 -8.852 0.00 2.00 H -ATOM 3640 H46 LIG X 1 16.648 40.439 -5.354 0.00 2.00 H -ENDMDL -MODEL 2 -ATOM 3599 C1 LIG X 1 18.417 38.503 -9.803 0.00 3.00 C -ATOM 3600 C2 LIG X 1 18.971 39.106 -8.501 0.00 3.00 C -ATOM 3601 C3 LIG X 1 19.956 38.097 -7.847 0.00 3.00 C -ATOM 3602 C4 LIG X 1 21.180 38.727 -7.169 0.00 3.00 C -ATOM 3603 C5 LIG X 1 20.832 39.687 -6.033 0.00 3.00 C -ATOM 3604 C6 LIG X 1 22.084 40.230 -5.357 0.00 3.00 C -ATOM 3605 C7 LIG X 1 21.772 41.125 -4.150 0.00 3.00 C -ATOM 3606 C8 LIG X 1 20.829 42.287 -4.440 0.00 3.00 C -ATOM 3607 O1 LIG X 1 21.376 43.106 -5.475 0.00 2.00 O -ATOM 3608 C9 LIG X 1 20.618 44.287 -5.685 0.00 3.00 C -ATOM 3609 C10 LIG X 1 19.282 44.085 -6.429 0.00 3.00 C -ATOM 3610 O2 LIG X 1 18.238 43.869 -5.806 0.00 3.00 O -ATOM 3611 N1 LIG X 1 19.289 44.131 -7.818 0.00 3.00 N -ATOM 3612 C11 LIG X 1 17.990 44.226 -8.534 0.00 3.00 C -ATOM 3613 C12 LIG X 1 17.334 42.871 -8.891 0.00 3.00 C -ATOM 3614 O3 LIG X 1 16.488 42.765 -9.776 0.00 3.00 O -ATOM 3615 N2 LIG X 1 17.667 41.834 -8.045 0.00 3.00 N -ATOM 3616 C13 LIG X 1 16.878 40.596 -7.986 0.00 3.00 C -ATOM 3617 C14 LIG X 1 17.796 39.435 -7.535 0.00 3.00 C -ATOM 3618 C15 LIG X 1 15.660 40.828 -7.036 0.00 3.00 C -ATOM 3619 C16 LIG X 1 14.729 39.608 -6.890 0.00 3.00 C -ATOM 3620 N3 LIG X 1 14.069 39.241 -8.142 0.00 3.00 N -ATOM 3621 C17 LIG X 1 12.674 39.663 -8.374 0.00 3.00 C -ATOM 3622 C18 LIG X 1 11.630 39.324 -7.323 0.00 2.00 C -ATOM 3623 C19 LIG X 1 11.999 40.762 -7.574 0.00 2.00 C -ATOM 3624 C20 LIG X 1 12.275 39.550 -9.846 0.00 3.00 C -ATOM 3625 C21 LIG X 1 12.579 40.568 -10.760 0.00 3.00 C -ATOM 3626 C22 LIG X 1 12.200 40.480 -12.098 0.00 3.00 C -ATOM 3627 C23 LIG X 1 11.514 39.356 -12.559 0.00 3.00 C -ATOM 3628 C24 LIG X 1 11.194 38.296 -11.697 0.00 3.00 C -ATOM 3629 C25 LIG X 1 11.593 38.426 -10.349 0.00 3.00 C -ATOM 3630 C26 LIG X 1 10.437 37.039 -12.164 0.00 3.00 C -ATOM 3631 C27 LIG X 1 10.126 37.019 -13.677 0.00 2.00 C -ATOM 3632 C28 LIG X 1 11.282 35.780 -11.864 0.00 3.00 C -ATOM 3633 C29 LIG X 1 9.090 36.937 -11.413 0.00 3.00 C -ATOM 3634 O4 LIG X 1 16.137 41.178 -5.720 0.00 3.00 O -ATOM 3635 C30 LIG X 1 18.068 45.120 -9.770 0.00 3.00 C -ATOM 3636 C31 LIG X 1 20.480 43.832 -8.611 0.00 3.00 C -ATOM 3637 H20 LIG X 1 18.456 41.925 -7.464 0.00 2.00 H -ATOM 3638 H27 LIG X 1 14.085 38.222 -8.199 0.00 2.00 H -ATOM 3639 H28 LIG X 1 14.597 39.749 -8.852 0.00 2.00 H -ATOM 3640 H46 LIG X 1 16.648 40.439 -5.354 0.00 2.00 H -ENDMDL diff --git a/examples/example1/BACE_4.lig.far.pdb b/examples/example1/BACE_4.lig.far.pdb deleted file mode 100644 index 1a22c45..0000000 --- a/examples/example1/BACE_4.lig.far.pdb +++ /dev/null @@ -1,44 +0,0 @@ -MODEL 2 -ATOM 3599 C1 LIG X 1 18.417 38.503 -9.803 0.00 3.00 C -ATOM 3600 C2 LIG X 1 18.971 39.106 -8.501 0.00 3.00 C -ATOM 3601 C3 LIG X 1 19.956 38.097 -7.847 0.00 3.00 C -ATOM 3602 C4 LIG X 1 21.180 38.727 -7.169 0.00 3.00 C -ATOM 3603 C5 LIG X 1 20.832 39.687 -6.033 0.00 3.00 C -ATOM 3604 C6 LIG X 1 22.084 40.230 -5.357 0.00 3.00 C -ATOM 3605 C7 LIG X 1 21.772 41.125 -4.150 0.00 3.00 C -ATOM 3606 C8 LIG X 1 20.829 42.287 -4.440 0.00 3.00 C -ATOM 3607 O1 LIG X 1 21.376 43.106 -5.475 0.00 2.00 O -ATOM 3608 C9 LIG X 1 20.618 44.287 -5.685 0.00 3.00 C -ATOM 3609 C10 LIG X 1 19.282 44.085 -6.429 0.00 3.00 C -ATOM 3610 O2 LIG X 1 18.238 43.869 -5.806 0.00 3.00 O -ATOM 3611 N1 LIG X 1 19.289 44.131 -7.818 0.00 3.00 N -ATOM 3612 C11 LIG X 1 17.990 44.226 -8.534 0.00 3.00 C -ATOM 3613 C12 LIG X 1 17.334 42.871 -8.891 0.00 3.00 C -ATOM 3614 O3 LIG X 1 16.488 42.765 -9.776 0.00 3.00 O -ATOM 3615 N2 LIG X 1 17.667 41.834 -8.045 0.00 3.00 N -ATOM 3616 C13 LIG X 1 16.878 40.596 -7.986 0.00 3.00 C -ATOM 3617 C14 LIG X 1 17.796 39.435 -7.535 0.00 3.00 C -ATOM 3618 C15 LIG X 1 15.660 40.828 -7.036 0.00 3.00 C -ATOM 3619 C16 LIG X 1 14.729 39.608 -6.890 0.00 3.00 C -ATOM 3620 N3 LIG X 1 14.069 39.241 -8.142 0.00 3.00 N -ATOM 3621 C17 LIG X 1 12.674 39.663 -8.374 0.00 3.00 C -ATOM 3622 C18 LIG X 1 11.630 39.324 -7.323 0.00 2.00 C -ATOM 3623 C19 LIG X 1 11.999 40.762 -7.574 0.00 2.00 C -ATOM 3624 C20 LIG X 1 12.275 39.550 -9.846 0.00 3.00 C -ATOM 3625 C21 LIG X 1 12.579 40.568 -10.760 0.00 3.00 C -ATOM 3626 C22 LIG X 1 12.200 40.480 -12.098 0.00 3.00 C -ATOM 3627 C23 LIG X 1 11.514 39.356 -12.559 0.00 3.00 C -ATOM 3628 C24 LIG X 1 11.194 38.296 -11.697 0.00 3.00 C -ATOM 3629 C25 LIG X 1 11.593 38.426 -10.349 0.00 3.00 C -ATOM 3630 C26 LIG X 1 10.437 37.039 -12.164 0.00 3.00 C -ATOM 3631 C27 LIG X 1 10.126 37.019 -13.677 0.00 2.00 C -ATOM 3632 C28 LIG X 1 11.282 35.780 -11.864 0.00 3.00 C -ATOM 3633 C29 LIG X 1 9.090 36.937 -11.413 0.00 3.00 C -ATOM 3634 O4 LIG X 1 16.137 41.178 -5.720 0.00 3.00 O -ATOM 3635 C30 LIG X 1 18.068 45.120 -9.770 0.00 3.00 C -ATOM 3636 C31 LIG X 1 20.480 43.832 -8.611 0.00 3.00 C -ATOM 3637 H20 LIG X 1 18.456 41.925 -7.464 0.00 2.00 H -ATOM 3638 H27 LIG X 1 14.085 38.222 -8.199 0.00 2.00 H -ATOM 3639 H28 LIG X 1 14.597 39.749 -8.852 0.00 2.00 H -ATOM 3640 H46 LIG X 1 16.648 40.439 -5.354 0.00 2.00 H -ENDMDL diff --git a/examples/example1/BACE_4.psf b/examples/example1/BACE_4.psf deleted file mode 100644 index eb3c2bc..0000000 --- a/examples/example1/BACE_4.psf +++ /dev/null @@ -1,11057 +0,0 @@ -PSF - - 11 !NTITLE - REMARKS original generated structure charmm psf file - REMARKS 3 patches were applied to the molecule. - REMARKS topology /home/aland/mcm-demo/scripts/pdbamino_new.rtf - REMARKS segment A0 { first NONE; last NONE; auto angles dihedrals } - REMARKS segment A1 { first NONE; last NONE; auto angles dihedrals } - REMARKS segment A2 { first NONE; last NONE; auto angles dihedrals } - REMARKS segment A3 { first NONE; last NONE; auto angles dihedrals } - REMARKS segment A4 { first NONE; last NONE; auto angles dihedrals } - REMARKS patch DISU A3:155 A4:359 - REMARKS patch DISU A4:217 A4:382 - REMARKS patch DISU A4:269 A4:319 - - 3598 !NATOM - 1 A0 1 GLU N 32 -0.400000 14.0067 0 - 2 A0 1 GLU H 1 0.250000 1.0080 0 - 3 A0 1 GLU CA 11 0.100000 13.0190 0 - 4 A0 1 GLU CB 12 0.000000 14.0270 0 - 5 A0 1 GLU CG 12 0.000000 14.0270 0 - 6 A0 1 GLU CD 14 0.140000 12.0110 0 - 7 A0 1 GLU OE1 43 -0.570000 15.9994 0 - 8 A0 1 GLU OE2 43 -0.570000 15.9994 0 - 9 A0 1 GLU C 14 0.600000 12.0110 0 - 10 A0 1 GLU O 40 -0.550000 15.9994 0 - 11 A0 2 MET N 32 -0.400000 14.0067 0 - 12 A0 2 MET H 1 0.250000 1.0080 0 - 13 A0 2 MET CA 11 0.100000 13.0190 0 - 14 A0 2 MET CB 12 0.000000 14.0270 0 - 15 A0 2 MET CG 12 0.060000 14.0270 0 - 16 A0 2 MET SD 74 -0.120000 32.0600 0 - 17 A0 2 MET CE 13 0.060000 15.0350 0 - 18 A0 2 MET C 14 0.600000 12.0110 0 - 19 A0 2 MET O 40 -0.550000 15.9994 0 - 20 A0 3 VAL N 32 -0.400000 14.0067 0 - 21 A0 3 VAL H 1 0.250000 1.0080 0 - 22 A0 3 VAL CA 11 0.100000 13.0190 0 - 23 A0 3 VAL CB 11 0.000000 13.0190 0 - 24 A0 3 VAL CG1 13 0.000000 15.0350 0 - 25 A0 3 VAL CG2 13 0.000000 15.0350 0 - 26 A0 3 VAL C 14 0.600000 12.0110 0 - 27 A0 3 VAL O 40 -0.550000 15.9994 0 - 28 A0 4 ASP N 32 -0.400000 14.0067 0 - 29 A0 4 ASP H 1 0.250000 1.0080 0 - 30 A0 4 ASP CA 11 0.100000 13.0190 0 - 31 A0 4 ASP CB 12 0.000000 14.0270 0 - 32 A0 4 ASP CG 14 0.140000 12.0110 0 - 33 A0 4 ASP OD1 43 -0.570000 15.9994 0 - 34 A0 4 ASP OD2 43 -0.570000 15.9994 0 - 35 A0 4 ASP C 14 0.600000 12.0110 0 - 36 A0 4 ASP O 40 -0.550000 15.9994 0 - 37 A0 5 ASN N 32 -0.400000 14.0067 0 - 38 A0 5 ASN H 1 0.250000 1.0080 0 - 39 A0 5 ASN CA 11 0.100000 13.0190 0 - 40 A0 5 ASN CB 12 0.000000 14.0270 0 - 41 A0 5 ASN CG 14 0.550000 12.0110 0 - 42 A0 5 ASN OD1 40 -0.550000 15.9994 0 - 43 A0 5 ASN ND2 32 -0.600000 14.0067 0 - 44 A0 5 ASN HD21 1 0.300000 1.0080 0 - 45 A0 5 ASN HD22 1 0.300000 1.0080 0 - 46 A0 5 ASN C 14 0.600000 12.0110 0 - 47 A0 5 ASN O 40 -0.550000 15.9994 0 - 48 A0 6 LEU N 32 -0.400000 14.0067 0 - 49 A0 6 LEU H 1 0.250000 1.0080 0 - 50 A0 6 LEU CA 11 0.100000 13.0190 0 - 51 A0 6 LEU CB 12 0.000000 14.0270 0 - 52 A0 6 LEU CG 11 0.000000 13.0190 0 - 53 A0 6 LEU CD1 13 0.000000 15.0350 0 - 54 A0 6 LEU CD2 13 0.000000 15.0350 0 - 55 A0 6 LEU C 14 0.600000 12.0110 0 - 56 A0 6 LEU O 40 -0.550000 15.9994 0 - 57 A0 7 ARG N 32 -0.400000 14.0067 0 - 58 A0 7 ARG H 1 0.250000 1.0080 0 - 59 A0 7 ARG CA 11 0.100000 13.0190 0 - 60 A0 7 ARG CB 12 0.000000 14.0270 0 - 61 A0 7 ARG CG 12 0.000000 14.0270 0 - 62 A0 7 ARG CD 12 0.100000 14.0270 0 - 63 A0 7 ARG NE 32 -0.400000 14.0067 0 - 64 A0 7 ARG HE 1 0.300000 1.0080 0 - 65 A0 7 ARG CZ 14 0.500000 12.0110 0 - 66 A0 7 ARG NH1 37 -0.450000 14.0067 0 - 67 A0 7 ARG HH11 2 0.350000 1.0080 0 - 68 A0 7 ARG HH12 2 0.350000 1.0080 0 - 69 A0 7 ARG NH2 37 -0.450000 14.0067 0 - 70 A0 7 ARG HH21 2 0.350000 1.0080 0 - 71 A0 7 ARG HH22 2 0.350000 1.0080 0 - 72 A0 7 ARG C 14 0.600000 12.0110 0 - 73 A0 7 ARG O 40 -0.550000 15.9994 0 - 74 A0 8 GLY N 32 -0.400000 14.0067 0 - 75 A0 8 GLY H 1 0.250000 1.0080 0 - 76 A0 8 GLY CA 12 0.100000 14.0270 0 - 77 A0 8 GLY C 14 0.600000 12.0110 0 - 78 A0 8 GLY O 40 -0.550000 15.9994 0 - 79 A0 9 LYS N 32 -0.400000 14.0067 0 - 80 A0 9 LYS H 1 0.250000 1.0080 0 - 81 A0 9 LYS CA 11 0.100000 13.0190 0 - 82 A0 9 LYS CB 12 0.000000 14.0270 0 - 83 A0 9 LYS CG 12 0.000000 14.0270 0 - 84 A0 9 LYS CD 12 0.000000 14.0270 0 - 85 A0 9 LYS CE 12 0.250000 14.0270 0 - 86 A0 9 LYS NZ 36 -0.300000 14.0067 0 - 87 A0 9 LYS HZ1 2 0.350000 1.0080 0 - 88 A0 9 LYS HZ2 2 0.350000 1.0080 0 - 89 A0 9 LYS HZ3 2 0.350000 1.0080 0 - 90 A0 9 LYS C 14 0.600000 12.0110 0 - 91 A0 9 LYS O 40 -0.550000 15.9994 0 - 92 A0 10 SER N 32 -0.400000 14.0067 0 - 93 A0 10 SER H 1 0.250000 1.0080 0 - 94 A0 10 SER CA 11 0.100000 13.0190 0 - 95 A0 10 SER CB 12 0.250000 14.0270 0 - 96 A0 10 SER OG 45 -0.650000 15.9994 0 - 97 A0 10 SER HG 8 0.400000 1.0080 0 - 98 A0 10 SER C 14 0.600000 12.0110 0 - 99 A0 10 SER O 40 -0.550000 15.9994 0 - 100 A0 11 GLY N 32 -0.400000 14.0067 0 - 101 A0 11 GLY H 1 0.250000 1.0080 0 - 102 A0 11 GLY CA 12 0.100000 14.0270 0 - 103 A0 11 GLY C 14 0.600000 12.0110 0 - 104 A0 11 GLY O 40 -0.550000 15.9994 0 - 105 A0 12 GLN N 32 -0.400000 14.0067 0 - 106 A0 12 GLN H 1 0.250000 1.0080 0 - 107 A0 12 GLN CA 11 0.100000 13.0190 0 - 108 A0 12 GLN CB 12 0.000000 14.0270 0 - 109 A0 12 GLN CG 12 0.000000 14.0270 0 - 110 A0 12 GLN CD 14 0.550000 12.0110 0 - 111 A0 12 GLN OE1 40 -0.550000 15.9994 0 - 112 A0 12 GLN NE2 32 -0.600000 14.0067 0 - 113 A0 12 GLN HE21 1 0.300000 1.0080 0 - 114 A0 12 GLN HE22 1 0.300000 1.0080 0 - 115 A0 12 GLN C 14 0.600000 12.0110 0 - 116 A0 12 GLN O 40 -0.550000 15.9994 0 - 117 A0 13 GLY N 32 -0.400000 14.0067 0 - 118 A0 13 GLY H 1 0.250000 1.0080 0 - 119 A0 13 GLY CA 12 0.100000 14.0270 0 - 120 A0 13 GLY C 14 0.600000 12.0110 0 - 121 A0 13 GLY O 40 -0.550000 15.9994 0 - 122 A0 14 TYR N 32 -0.400000 14.0067 0 - 123 A0 14 TYR H 1 0.250000 1.0080 0 - 124 A0 14 TYR CA 11 0.100000 13.0190 0 - 125 A0 14 TYR CB 12 0.000000 14.0270 0 - 126 A0 14 TYR CG 22 0.000000 12.0110 0 - 127 A0 14 TYR CD1 24 0.000000 13.0190 0 - 128 A0 14 TYR CE1 24 0.000000 13.0190 0 - 129 A0 14 TYR CD2 24 0.000000 13.0190 0 - 130 A0 14 TYR CE2 24 0.000000 13.0190 0 - 131 A0 14 TYR CZ 22 0.250000 12.0110 0 - 132 A0 14 TYR OH 45 -0.650000 15.9994 0 - 133 A0 14 TYR HH 8 0.400000 1.0080 0 - 134 A0 14 TYR C 14 0.600000 12.0110 0 - 135 A0 14 TYR O 40 -0.550000 15.9994 0 - 136 A0 15 TYR N 32 -0.400000 14.0067 0 - 137 A0 15 TYR H 1 0.250000 1.0080 0 - 138 A0 15 TYR CA 11 0.100000 13.0190 0 - 139 A0 15 TYR CB 12 0.000000 14.0270 0 - 140 A0 15 TYR CG 22 0.000000 12.0110 0 - 141 A0 15 TYR CD1 24 0.000000 13.0190 0 - 142 A0 15 TYR CE1 24 0.000000 13.0190 0 - 143 A0 15 TYR CD2 24 0.000000 13.0190 0 - 144 A0 15 TYR CE2 24 0.000000 13.0190 0 - 145 A0 15 TYR CZ 22 0.250000 12.0110 0 - 146 A0 15 TYR OH 45 -0.650000 15.9994 0 - 147 A0 15 TYR HH 8 0.400000 1.0080 0 - 148 A0 15 TYR C 14 0.600000 12.0110 0 - 149 A0 15 TYR O 40 -0.550000 15.9994 0 - 150 A0 16 VAL N 32 -0.400000 14.0067 0 - 151 A0 16 VAL H 1 0.250000 1.0080 0 - 152 A0 16 VAL CA 11 0.100000 13.0190 0 - 153 A0 16 VAL CB 11 0.000000 13.0190 0 - 154 A0 16 VAL CG1 13 0.000000 15.0350 0 - 155 A0 16 VAL CG2 13 0.000000 15.0350 0 - 156 A0 16 VAL C 14 0.600000 12.0110 0 - 157 A0 16 VAL O 40 -0.550000 15.9994 0 - 158 A0 17 GLU N 32 -0.400000 14.0067 0 - 159 A0 17 GLU H 1 0.250000 1.0080 0 - 160 A0 17 GLU CA 11 0.100000 13.0190 0 - 161 A0 17 GLU CB 12 0.000000 14.0270 0 - 162 A0 17 GLU CG 12 0.000000 14.0270 0 - 163 A0 17 GLU CD 14 0.140000 12.0110 0 - 164 A0 17 GLU OE1 43 -0.570000 15.9994 0 - 165 A0 17 GLU OE2 43 -0.570000 15.9994 0 - 166 A0 17 GLU C 14 0.600000 12.0110 0 - 167 A0 17 GLU O 40 -0.550000 15.9994 0 - 168 A0 18 MET N 32 -0.400000 14.0067 0 - 169 A0 18 MET H 1 0.250000 1.0080 0 - 170 A0 18 MET CA 11 0.100000 13.0190 0 - 171 A0 18 MET CB 12 0.000000 14.0270 0 - 172 A0 18 MET CG 12 0.060000 14.0270 0 - 173 A0 18 MET SD 74 -0.120000 32.0600 0 - 174 A0 18 MET CE 13 0.060000 15.0350 0 - 175 A0 18 MET C 14 0.600000 12.0110 0 - 176 A0 18 MET O 40 -0.550000 15.9994 0 - 177 A0 19 THR N 32 -0.400000 14.0067 0 - 178 A0 19 THR H 1 0.250000 1.0080 0 - 179 A0 19 THR CA 11 0.100000 13.0190 0 - 180 A0 19 THR CB 11 0.250000 13.0190 0 - 181 A0 19 THR OG1 45 -0.650000 15.9994 0 - 182 A0 19 THR HG1 8 0.400000 1.0080 0 - 183 A0 19 THR CG2 13 0.000000 15.0350 0 - 184 A0 19 THR C 14 0.600000 12.0110 0 - 185 A0 19 THR O 40 -0.550000 15.9994 0 - 186 A0 20 VAL N 32 -0.400000 14.0067 0 - 187 A0 20 VAL H 1 0.250000 1.0080 0 - 188 A0 20 VAL CA 11 0.100000 13.0190 0 - 189 A0 20 VAL CB 11 0.000000 13.0190 0 - 190 A0 20 VAL CG1 13 0.000000 15.0350 0 - 191 A0 20 VAL CG2 13 0.000000 15.0350 0 - 192 A0 20 VAL C 14 0.600000 12.0110 0 - 193 A0 20 VAL O 40 -0.550000 15.9994 0 - 194 A0 21 GLY N 32 -0.400000 14.0067 0 - 195 A0 21 GLY H 1 0.250000 1.0080 0 - 196 A0 21 GLY CA 12 0.100000 14.0270 0 - 197 A0 21 GLY C 14 0.600000 12.0110 0 - 198 A0 21 GLY O 40 -0.550000 15.9994 0 - 199 A0 22 SER N 32 -0.400000 14.0067 0 - 200 A0 22 SER H 1 0.250000 1.0080 0 - 201 A0 22 SER CA 11 0.100000 13.0190 0 - 202 A0 22 SER CB 12 0.250000 14.0270 0 - 203 A0 22 SER OG 45 -0.650000 15.9994 0 - 204 A0 22 SER HG 8 0.400000 1.0080 0 - 205 A0 22 SER C 14 0.600000 12.0110 0 - 206 A0 22 SER O 40 -0.550000 15.9994 0 - 207 A0 23 PRO N 33 -0.250000 14.0067 0 - 208 A0 23 PRO CD 12 0.100000 14.0270 0 - 209 A0 23 PRO CA 11 0.100000 13.0190 0 - 210 A0 23 PRO CB 12 0.000000 14.0270 0 - 211 A0 23 PRO CG 12 0.000000 14.0270 0 - 212 A0 23 PRO C 14 0.600000 12.0110 0 - 213 A0 23 PRO O 40 -0.550000 15.9994 0 - 214 A0 24 PRO N 33 -0.250000 14.0067 0 - 215 A0 24 PRO CD 12 0.100000 14.0270 0 - 216 A0 24 PRO CA 11 0.100000 13.0190 0 - 217 A0 24 PRO CB 12 0.000000 14.0270 0 - 218 A0 24 PRO CG 12 0.000000 14.0270 0 - 219 A0 24 PRO C 14 0.600000 12.0110 0 - 220 A0 24 PRO O 40 -0.550000 15.9994 0 - 221 A0 25 GLN N 32 -0.400000 14.0067 0 - 222 A0 25 GLN H 1 0.250000 1.0080 0 - 223 A0 25 GLN CA 11 0.100000 13.0190 0 - 224 A0 25 GLN CB 12 0.000000 14.0270 0 - 225 A0 25 GLN CG 12 0.000000 14.0270 0 - 226 A0 25 GLN CD 14 0.550000 12.0110 0 - 227 A0 25 GLN OE1 40 -0.550000 15.9994 0 - 228 A0 25 GLN NE2 32 -0.600000 14.0067 0 - 229 A0 25 GLN HE21 1 0.300000 1.0080 0 - 230 A0 25 GLN HE22 1 0.300000 1.0080 0 - 231 A0 25 GLN C 14 0.600000 12.0110 0 - 232 A0 25 GLN O 40 -0.550000 15.9994 0 - 233 A0 26 THR N 32 -0.400000 14.0067 0 - 234 A0 26 THR H 1 0.250000 1.0080 0 - 235 A0 26 THR CA 11 0.100000 13.0190 0 - 236 A0 26 THR CB 11 0.250000 13.0190 0 - 237 A0 26 THR OG1 45 -0.650000 15.9994 0 - 238 A0 26 THR HG1 8 0.400000 1.0080 0 - 239 A0 26 THR CG2 13 0.000000 15.0350 0 - 240 A0 26 THR C 14 0.600000 12.0110 0 - 241 A0 26 THR O 40 -0.550000 15.9994 0 - 242 A0 27 LEU N 32 -0.400000 14.0067 0 - 243 A0 27 LEU H 1 0.250000 1.0080 0 - 244 A0 27 LEU CA 11 0.100000 13.0190 0 - 245 A0 27 LEU CB 12 0.000000 14.0270 0 - 246 A0 27 LEU CG 11 0.000000 13.0190 0 - 247 A0 27 LEU CD1 13 0.000000 15.0350 0 - 248 A0 27 LEU CD2 13 0.000000 15.0350 0 - 249 A0 27 LEU C 14 0.600000 12.0110 0 - 250 A0 27 LEU O 40 -0.550000 15.9994 0 - 251 A0 28 ASN N 32 -0.400000 14.0067 0 - 252 A0 28 ASN H 1 0.250000 1.0080 0 - 253 A0 28 ASN CA 11 0.100000 13.0190 0 - 254 A0 28 ASN CB 12 0.000000 14.0270 0 - 255 A0 28 ASN CG 14 0.550000 12.0110 0 - 256 A0 28 ASN OD1 40 -0.550000 15.9994 0 - 257 A0 28 ASN ND2 32 -0.600000 14.0067 0 - 258 A0 28 ASN HD21 1 0.300000 1.0080 0 - 259 A0 28 ASN HD22 1 0.300000 1.0080 0 - 260 A0 28 ASN C 14 0.600000 12.0110 0 - 261 A0 28 ASN O 40 -0.550000 15.9994 0 - 262 A0 29 ILE N 32 -0.400000 14.0067 0 - 263 A0 29 ILE H 1 0.250000 1.0080 0 - 264 A0 29 ILE CA 11 0.100000 13.0190 0 - 265 A0 29 ILE CB 11 0.000000 13.0190 0 - 266 A0 29 ILE CG2 13 0.000000 15.0350 0 - 267 A0 29 ILE CG1 12 0.000000 14.0270 0 - 268 A0 29 ILE CD1 13 0.000000 15.0350 0 - 269 A0 29 ILE C 14 0.600000 12.0110 0 - 270 A0 29 ILE O 40 -0.550000 15.9994 0 - 271 A0 30 LEU N 32 -0.400000 14.0067 0 - 272 A0 30 LEU H 1 0.250000 1.0080 0 - 273 A0 30 LEU CA 11 0.100000 13.0190 0 - 274 A0 30 LEU CB 12 0.000000 14.0270 0 - 275 A0 30 LEU CG 11 0.000000 13.0190 0 - 276 A0 30 LEU CD1 13 0.000000 15.0350 0 - 277 A0 30 LEU CD2 13 0.000000 15.0350 0 - 278 A0 30 LEU C 14 0.600000 12.0110 0 - 279 A0 30 LEU O 40 -0.550000 15.9994 0 - 280 A0 31 VAL N 32 -0.400000 14.0067 0 - 281 A0 31 VAL H 1 0.250000 1.0080 0 - 282 A0 31 VAL CA 11 0.100000 13.0190 0 - 283 A0 31 VAL CB 11 0.000000 13.0190 0 - 284 A0 31 VAL CG1 13 0.000000 15.0350 0 - 285 A0 31 VAL CG2 13 0.000000 15.0350 0 - 286 A0 31 VAL C 14 0.600000 12.0110 0 - 287 A0 31 VAL O 40 -0.550000 15.9994 0 - 288 A0 32 ASP N 32 -0.400000 14.0067 0 - 289 A0 32 ASP H 1 0.250000 1.0080 0 - 290 A0 32 ASP CA 11 0.100000 13.0190 0 - 291 A0 32 ASP CB 12 0.000000 14.0270 0 - 292 A0 32 ASP CG 14 0.140000 12.0110 0 - 293 A0 32 ASP OD1 43 -0.570000 15.9994 0 - 294 A0 32 ASP OD2 43 -0.570000 15.9994 0 - 295 A0 32 ASP C 14 0.600000 12.0110 0 - 296 A0 32 ASP O 40 -0.550000 15.9994 0 - 297 A0 33 THR N 32 -0.400000 14.0067 0 - 298 A0 33 THR H 1 0.250000 1.0080 0 - 299 A0 33 THR CA 11 0.100000 13.0190 0 - 300 A0 33 THR CB 11 0.250000 13.0190 0 - 301 A0 33 THR OG1 45 -0.650000 15.9994 0 - 302 A0 33 THR HG1 8 0.400000 1.0080 0 - 303 A0 33 THR CG2 13 0.000000 15.0350 0 - 304 A0 33 THR C 14 0.600000 12.0110 0 - 305 A0 33 THR O 40 -0.550000 15.9994 0 - 306 A0 34 GLY N 32 -0.400000 14.0067 0 - 307 A0 34 GLY H 1 0.250000 1.0080 0 - 308 A0 34 GLY CA 12 0.100000 14.0270 0 - 309 A0 34 GLY C 14 0.600000 12.0110 0 - 310 A0 34 GLY O 40 -0.550000 15.9994 0 - 311 A0 35 SER N 32 -0.400000 14.0067 0 - 312 A0 35 SER H 1 0.250000 1.0080 0 - 313 A0 35 SER CA 11 0.100000 13.0190 0 - 314 A0 35 SER CB 12 0.250000 14.0270 0 - 315 A0 35 SER OG 45 -0.650000 15.9994 0 - 316 A0 35 SER HG 8 0.400000 1.0080 0 - 317 A0 35 SER C 14 0.600000 12.0110 0 - 318 A0 35 SER O 40 -0.550000 15.9994 0 - 319 A0 36 SER N 32 -0.400000 14.0067 0 - 320 A0 36 SER H 1 0.250000 1.0080 0 - 321 A0 36 SER CA 11 0.100000 13.0190 0 - 322 A0 36 SER CB 12 0.250000 14.0270 0 - 323 A0 36 SER OG 45 -0.650000 15.9994 0 - 324 A0 36 SER HG 8 0.400000 1.0080 0 - 325 A0 36 SER C 14 0.600000 12.0110 0 - 326 A0 36 SER O 40 -0.550000 15.9994 0 - 327 A0 37 ASN N 32 -0.400000 14.0067 0 - 328 A0 37 ASN H 1 0.250000 1.0080 0 - 329 A0 37 ASN CA 11 0.100000 13.0190 0 - 330 A0 37 ASN CB 12 0.000000 14.0270 0 - 331 A0 37 ASN CG 14 0.550000 12.0110 0 - 332 A0 37 ASN OD1 40 -0.550000 15.9994 0 - 333 A0 37 ASN ND2 32 -0.600000 14.0067 0 - 334 A0 37 ASN HD21 1 0.300000 1.0080 0 - 335 A0 37 ASN HD22 1 0.300000 1.0080 0 - 336 A0 37 ASN C 14 0.600000 12.0110 0 - 337 A0 37 ASN O 40 -0.550000 15.9994 0 - 338 A0 38 PHE N 32 -0.400000 14.0067 0 - 339 A0 38 PHE H 1 0.250000 1.0080 0 - 340 A0 38 PHE CA 11 0.100000 13.0190 0 - 341 A0 38 PHE CB 12 0.000000 14.0270 0 - 342 A0 38 PHE CG 22 0.000000 12.0110 0 - 343 A0 38 PHE CD1 24 0.000000 13.0190 0 - 344 A0 38 PHE CD2 24 0.000000 13.0190 0 - 345 A0 38 PHE CE1 24 0.000000 13.0190 0 - 346 A0 38 PHE CE2 24 0.000000 13.0190 0 - 347 A0 38 PHE CZ 24 0.000000 13.0190 0 - 348 A0 38 PHE C 14 0.600000 12.0110 0 - 349 A0 38 PHE O 40 -0.550000 15.9994 0 - 350 A0 39 ALA N 32 -0.400000 14.0067 0 - 351 A0 39 ALA H 1 0.250000 1.0080 0 - 352 A0 39 ALA CA 11 0.100000 13.0190 0 - 353 A0 39 ALA CB 13 0.000000 15.0350 0 - 354 A0 39 ALA C 14 0.600000 12.0110 0 - 355 A0 39 ALA O 40 -0.550000 15.9994 0 - 356 A0 40 VAL N 32 -0.400000 14.0067 0 - 357 A0 40 VAL H 1 0.250000 1.0080 0 - 358 A0 40 VAL CA 11 0.100000 13.0190 0 - 359 A0 40 VAL CB 11 0.000000 13.0190 0 - 360 A0 40 VAL CG1 13 0.000000 15.0350 0 - 361 A0 40 VAL CG2 13 0.000000 15.0350 0 - 362 A0 40 VAL C 14 0.600000 12.0110 0 - 363 A0 40 VAL O 40 -0.550000 15.9994 0 - 364 A0 41 GLY N 32 -0.400000 14.0067 0 - 365 A0 41 GLY H 1 0.250000 1.0080 0 - 366 A0 41 GLY CA 12 0.100000 14.0270 0 - 367 A0 41 GLY C 14 0.600000 12.0110 0 - 368 A0 41 GLY O 40 -0.550000 15.9994 0 - 369 A0 42 ALA N 32 -0.400000 14.0067 0 - 370 A0 42 ALA H 1 0.250000 1.0080 0 - 371 A0 42 ALA CA 11 0.100000 13.0190 0 - 372 A0 42 ALA CB 13 0.000000 15.0350 0 - 373 A0 42 ALA C 14 0.600000 12.0110 0 - 374 A0 42 ALA O 40 -0.550000 15.9994 0 - 375 A0 43 ALA N 32 -0.400000 14.0067 0 - 376 A0 43 ALA H 1 0.250000 1.0080 0 - 377 A0 43 ALA CA 11 0.100000 13.0190 0 - 378 A0 43 ALA CB 13 0.000000 15.0350 0 - 379 A0 43 ALA C 14 0.600000 12.0110 0 - 380 A0 43 ALA O 40 -0.550000 15.9994 0 - 381 A0 44 PRO N 33 -0.250000 14.0067 0 - 382 A0 44 PRO CD 12 0.100000 14.0270 0 - 383 A0 44 PRO CA 11 0.100000 13.0190 0 - 384 A0 44 PRO CB 12 0.000000 14.0270 0 - 385 A0 44 PRO CG 12 0.000000 14.0270 0 - 386 A0 44 PRO C 14 0.600000 12.0110 0 - 387 A0 44 PRO O 40 -0.550000 15.9994 0 - 388 A0 45 HIS N 32 -0.400000 14.0067 0 - 389 A0 45 HIS H 1 0.250000 1.0080 0 - 390 A0 45 HIS CA 11 0.100000 13.0190 0 - 391 A0 45 HIS CB 12 0.000000 14.0270 0 - 392 A0 45 HIS CG 21 0.100000 12.0110 0 - 393 A0 45 HIS ND1 34 -0.400000 14.0067 0 - 394 A0 45 HIS HD1 1 0.300000 1.0080 0 - 395 A0 45 HIS CD2 23 0.100000 13.0190 0 - 396 A0 45 HIS NE2 34 -0.400000 14.0067 0 - 397 A0 45 HIS CE1 23 0.300000 13.0190 0 - 398 A0 45 HIS C 14 0.600000 12.0110 0 - 399 A0 45 HIS O 40 -0.550000 15.9994 0 - 400 A0 46P SER N 32 -0.400000 14.0067 0 - 401 A0 46P SER H 1 0.250000 1.0080 0 - 402 A0 46P SER CA 11 0.100000 13.0190 0 - 403 A0 46P SER CB 12 0.250000 14.0270 0 - 404 A0 46P SER OG 45 -0.650000 15.9994 0 - 405 A0 46P SER HG 8 0.400000 1.0080 0 - 406 A0 46P SER C 14 0.600000 12.0110 0 - 407 A0 46P SER O 40 -0.550000 15.9994 0 - 408 A1 46 PRO N 33 -0.250000 14.0067 0 - 409 A1 46 PRO CD 12 0.100000 14.0270 0 - 410 A1 46 PRO CA 11 0.100000 13.0190 0 - 411 A1 46 PRO CB 12 0.000000 14.0270 0 - 412 A1 46 PRO CG 12 0.000000 14.0270 0 - 413 A1 46 PRO C 14 0.600000 12.0110 0 - 414 A1 46 PRO O 40 -0.550000 15.9994 0 - 415 A1 47P PHE N 32 -0.400000 14.0067 0 - 416 A1 47P PHE H 1 0.250000 1.0080 0 - 417 A1 47P PHE CA 11 0.100000 13.0190 0 - 418 A1 47P PHE CB 12 0.000000 14.0270 0 - 419 A1 47P PHE CG 22 0.000000 12.0110 0 - 420 A1 47P PHE CD1 24 0.000000 13.0190 0 - 421 A1 47P PHE CD2 24 0.000000 13.0190 0 - 422 A1 47P PHE CE1 24 0.000000 13.0190 0 - 423 A1 47P PHE CE2 24 0.000000 13.0190 0 - 424 A1 47P PHE CZ 24 0.000000 13.0190 0 - 425 A1 47P PHE C 14 0.600000 12.0110 0 - 426 A1 47P PHE O 40 -0.550000 15.9994 0 - 427 A2 47 PHE N 32 -0.400000 14.0067 0 - 428 A2 47 PHE H 1 0.250000 1.0080 0 - 429 A2 47 PHE CA 11 0.100000 13.0190 0 - 430 A2 47 PHE CB 12 0.000000 14.0270 0 - 431 A2 47 PHE CG 22 0.000000 12.0110 0 - 432 A2 47 PHE CD1 24 0.000000 13.0190 0 - 433 A2 47 PHE CD2 24 0.000000 13.0190 0 - 434 A2 47 PHE CE1 24 0.000000 13.0190 0 - 435 A2 47 PHE CE2 24 0.000000 13.0190 0 - 436 A2 47 PHE CZ 24 0.000000 13.0190 0 - 437 A2 47 PHE C 14 0.600000 12.0110 0 - 438 A2 47 PHE O 40 -0.550000 15.9994 0 - 439 A2 48P VAL N 32 -0.400000 14.0067 0 - 440 A2 48P VAL H 1 0.250000 1.0080 0 - 441 A2 48P VAL CA 11 0.100000 13.0190 0 - 442 A2 48P VAL CB 11 0.000000 13.0190 0 - 443 A2 48P VAL CG1 13 0.000000 15.0350 0 - 444 A2 48P VAL CG2 13 0.000000 15.0350 0 - 445 A2 48P VAL C 14 0.600000 12.0110 0 - 446 A2 48P VAL O 40 -0.550000 15.9994 0 - 447 A3 48 LEU N 32 -0.400000 14.0067 0 - 448 A3 48 LEU H 1 0.250000 1.0080 0 - 449 A3 48 LEU CA 11 0.100000 13.0190 0 - 450 A3 48 LEU CB 12 0.000000 14.0270 0 - 451 A3 48 LEU CG 11 0.000000 13.0190 0 - 452 A3 48 LEU CD1 13 0.000000 15.0350 0 - 453 A3 48 LEU CD2 13 0.000000 15.0350 0 - 454 A3 48 LEU C 14 0.600000 12.0110 0 - 455 A3 48 LEU O 40 -0.550000 15.9994 0 - 456 A3 49 HIS N 32 -0.400000 14.0067 0 - 457 A3 49 HIS H 1 0.250000 1.0080 0 - 458 A3 49 HIS CA 11 0.100000 13.0190 0 - 459 A3 49 HIS CB 12 0.000000 14.0270 0 - 460 A3 49 HIS CG 21 0.100000 12.0110 0 - 461 A3 49 HIS ND1 34 -0.400000 14.0067 0 - 462 A3 49 HIS HD1 1 0.300000 1.0080 0 - 463 A3 49 HIS CD2 23 0.100000 13.0190 0 - 464 A3 49 HIS NE2 34 -0.400000 14.0067 0 - 465 A3 49 HIS CE1 23 0.300000 13.0190 0 - 466 A3 49 HIS C 14 0.600000 12.0110 0 - 467 A3 49 HIS O 40 -0.550000 15.9994 0 - 468 A3 50 ARG N 32 -0.400000 14.0067 0 - 469 A3 50 ARG H 1 0.250000 1.0080 0 - 470 A3 50 ARG CA 11 0.100000 13.0190 0 - 471 A3 50 ARG CB 12 0.000000 14.0270 0 - 472 A3 50 ARG CG 12 0.000000 14.0270 0 - 473 A3 50 ARG CD 12 0.100000 14.0270 0 - 474 A3 50 ARG NE 32 -0.400000 14.0067 0 - 475 A3 50 ARG HE 1 0.300000 1.0080 0 - 476 A3 50 ARG CZ 14 0.500000 12.0110 0 - 477 A3 50 ARG NH1 37 -0.450000 14.0067 0 - 478 A3 50 ARG HH11 2 0.350000 1.0080 0 - 479 A3 50 ARG HH12 2 0.350000 1.0080 0 - 480 A3 50 ARG NH2 37 -0.450000 14.0067 0 - 481 A3 50 ARG HH21 2 0.350000 1.0080 0 - 482 A3 50 ARG HH22 2 0.350000 1.0080 0 - 483 A3 50 ARG C 14 0.600000 12.0110 0 - 484 A3 50 ARG O 40 -0.550000 15.9994 0 - 485 A3 51 TYR N 32 -0.400000 14.0067 0 - 486 A3 51 TYR H 1 0.250000 1.0080 0 - 487 A3 51 TYR CA 11 0.100000 13.0190 0 - 488 A3 51 TYR CB 12 0.000000 14.0270 0 - 489 A3 51 TYR CG 22 0.000000 12.0110 0 - 490 A3 51 TYR CD1 24 0.000000 13.0190 0 - 491 A3 51 TYR CE1 24 0.000000 13.0190 0 - 492 A3 51 TYR CD2 24 0.000000 13.0190 0 - 493 A3 51 TYR CE2 24 0.000000 13.0190 0 - 494 A3 51 TYR CZ 22 0.250000 12.0110 0 - 495 A3 51 TYR OH 45 -0.650000 15.9994 0 - 496 A3 51 TYR HH 8 0.400000 1.0080 0 - 497 A3 51 TYR C 14 0.600000 12.0110 0 - 498 A3 51 TYR O 40 -0.550000 15.9994 0 - 499 A3 52 TYR N 32 -0.400000 14.0067 0 - 500 A3 52 TYR H 1 0.250000 1.0080 0 - 501 A3 52 TYR CA 11 0.100000 13.0190 0 - 502 A3 52 TYR CB 12 0.000000 14.0270 0 - 503 A3 52 TYR CG 22 0.000000 12.0110 0 - 504 A3 52 TYR CD1 24 0.000000 13.0190 0 - 505 A3 52 TYR CE1 24 0.000000 13.0190 0 - 506 A3 52 TYR CD2 24 0.000000 13.0190 0 - 507 A3 52 TYR CE2 24 0.000000 13.0190 0 - 508 A3 52 TYR CZ 22 0.250000 12.0110 0 - 509 A3 52 TYR OH 45 -0.650000 15.9994 0 - 510 A3 52 TYR HH 8 0.400000 1.0080 0 - 511 A3 52 TYR C 14 0.600000 12.0110 0 - 512 A3 52 TYR O 40 -0.550000 15.9994 0 - 513 A3 53 GLN N 32 -0.400000 14.0067 0 - 514 A3 53 GLN H 1 0.250000 1.0080 0 - 515 A3 53 GLN CA 11 0.100000 13.0190 0 - 516 A3 53 GLN CB 12 0.000000 14.0270 0 - 517 A3 53 GLN CG 12 0.000000 14.0270 0 - 518 A3 53 GLN CD 14 0.550000 12.0110 0 - 519 A3 53 GLN OE1 40 -0.550000 15.9994 0 - 520 A3 53 GLN NE2 32 -0.600000 14.0067 0 - 521 A3 53 GLN HE21 1 0.300000 1.0080 0 - 522 A3 53 GLN HE22 1 0.300000 1.0080 0 - 523 A3 53 GLN C 14 0.600000 12.0110 0 - 524 A3 53 GLN O 40 -0.550000 15.9994 0 - 525 A3 54 ARG N 32 -0.400000 14.0067 0 - 526 A3 54 ARG H 1 0.250000 1.0080 0 - 527 A3 54 ARG CA 11 0.100000 13.0190 0 - 528 A3 54 ARG CB 12 0.000000 14.0270 0 - 529 A3 54 ARG CG 12 0.000000 14.0270 0 - 530 A3 54 ARG CD 12 0.100000 14.0270 0 - 531 A3 54 ARG NE 32 -0.400000 14.0067 0 - 532 A3 54 ARG HE 1 0.300000 1.0080 0 - 533 A3 54 ARG CZ 14 0.500000 12.0110 0 - 534 A3 54 ARG NH1 37 -0.450000 14.0067 0 - 535 A3 54 ARG HH11 2 0.350000 1.0080 0 - 536 A3 54 ARG HH12 2 0.350000 1.0080 0 - 537 A3 54 ARG NH2 37 -0.450000 14.0067 0 - 538 A3 54 ARG HH21 2 0.350000 1.0080 0 - 539 A3 54 ARG HH22 2 0.350000 1.0080 0 - 540 A3 54 ARG C 14 0.600000 12.0110 0 - 541 A3 54 ARG O 40 -0.550000 15.9994 0 - 542 A3 55 GLN N 32 -0.400000 14.0067 0 - 543 A3 55 GLN H 1 0.250000 1.0080 0 - 544 A3 55 GLN CA 11 0.100000 13.0190 0 - 545 A3 55 GLN CB 12 0.000000 14.0270 0 - 546 A3 55 GLN CG 12 0.000000 14.0270 0 - 547 A3 55 GLN CD 14 0.550000 12.0110 0 - 548 A3 55 GLN OE1 40 -0.550000 15.9994 0 - 549 A3 55 GLN NE2 32 -0.600000 14.0067 0 - 550 A3 55 GLN HE21 1 0.300000 1.0080 0 - 551 A3 55 GLN HE22 1 0.300000 1.0080 0 - 552 A3 55 GLN C 14 0.600000 12.0110 0 - 553 A3 55 GLN O 40 -0.550000 15.9994 0 - 554 A3 56 LEU N 32 -0.400000 14.0067 0 - 555 A3 56 LEU H 1 0.250000 1.0080 0 - 556 A3 56 LEU CA 11 0.100000 13.0190 0 - 557 A3 56 LEU CB 12 0.000000 14.0270 0 - 558 A3 56 LEU CG 11 0.000000 13.0190 0 - 559 A3 56 LEU CD1 13 0.000000 15.0350 0 - 560 A3 56 LEU CD2 13 0.000000 15.0350 0 - 561 A3 56 LEU C 14 0.600000 12.0110 0 - 562 A3 56 LEU O 40 -0.550000 15.9994 0 - 563 A3 57 SER N 32 -0.400000 14.0067 0 - 564 A3 57 SER H 1 0.250000 1.0080 0 - 565 A3 57 SER CA 11 0.100000 13.0190 0 - 566 A3 57 SER CB 12 0.250000 14.0270 0 - 567 A3 57 SER OG 45 -0.650000 15.9994 0 - 568 A3 57 SER HG 8 0.400000 1.0080 0 - 569 A3 57 SER C 14 0.600000 12.0110 0 - 570 A3 57 SER O 40 -0.550000 15.9994 0 - 571 A3 58 SER N 32 -0.400000 14.0067 0 - 572 A3 58 SER H 1 0.250000 1.0080 0 - 573 A3 58 SER CA 11 0.100000 13.0190 0 - 574 A3 58 SER CB 12 0.250000 14.0270 0 - 575 A3 58 SER OG 45 -0.650000 15.9994 0 - 576 A3 58 SER HG 8 0.400000 1.0080 0 - 577 A3 58 SER C 14 0.600000 12.0110 0 - 578 A3 58 SER O 40 -0.550000 15.9994 0 - 579 A3 59 THR N 32 -0.400000 14.0067 0 - 580 A3 59 THR H 1 0.250000 1.0080 0 - 581 A3 59 THR CA 11 0.100000 13.0190 0 - 582 A3 59 THR CB 11 0.250000 13.0190 0 - 583 A3 59 THR OG1 45 -0.650000 15.9994 0 - 584 A3 59 THR HG1 8 0.400000 1.0080 0 - 585 A3 59 THR CG2 13 0.000000 15.0350 0 - 586 A3 59 THR C 14 0.600000 12.0110 0 - 587 A3 59 THR O 40 -0.550000 15.9994 0 - 588 A3 60 TYR N 32 -0.400000 14.0067 0 - 589 A3 60 TYR H 1 0.250000 1.0080 0 - 590 A3 60 TYR CA 11 0.100000 13.0190 0 - 591 A3 60 TYR CB 12 0.000000 14.0270 0 - 592 A3 60 TYR CG 22 0.000000 12.0110 0 - 593 A3 60 TYR CD1 24 0.000000 13.0190 0 - 594 A3 60 TYR CE1 24 0.000000 13.0190 0 - 595 A3 60 TYR CD2 24 0.000000 13.0190 0 - 596 A3 60 TYR CE2 24 0.000000 13.0190 0 - 597 A3 60 TYR CZ 22 0.250000 12.0110 0 - 598 A3 60 TYR OH 45 -0.650000 15.9994 0 - 599 A3 60 TYR HH 8 0.400000 1.0080 0 - 600 A3 60 TYR C 14 0.600000 12.0110 0 - 601 A3 60 TYR O 40 -0.550000 15.9994 0 - 602 A3 61 ARG N 32 -0.400000 14.0067 0 - 603 A3 61 ARG H 1 0.250000 1.0080 0 - 604 A3 61 ARG CA 11 0.100000 13.0190 0 - 605 A3 61 ARG CB 12 0.000000 14.0270 0 - 606 A3 61 ARG CG 12 0.000000 14.0270 0 - 607 A3 61 ARG CD 12 0.100000 14.0270 0 - 608 A3 61 ARG NE 32 -0.400000 14.0067 0 - 609 A3 61 ARG HE 1 0.300000 1.0080 0 - 610 A3 61 ARG CZ 14 0.500000 12.0110 0 - 611 A3 61 ARG NH1 37 -0.450000 14.0067 0 - 612 A3 61 ARG HH11 2 0.350000 1.0080 0 - 613 A3 61 ARG HH12 2 0.350000 1.0080 0 - 614 A3 61 ARG NH2 37 -0.450000 14.0067 0 - 615 A3 61 ARG HH21 2 0.350000 1.0080 0 - 616 A3 61 ARG HH22 2 0.350000 1.0080 0 - 617 A3 61 ARG C 14 0.600000 12.0110 0 - 618 A3 61 ARG O 40 -0.550000 15.9994 0 - 619 A3 62 ASP N 32 -0.400000 14.0067 0 - 620 A3 62 ASP H 1 0.250000 1.0080 0 - 621 A3 62 ASP CA 11 0.100000 13.0190 0 - 622 A3 62 ASP CB 12 0.000000 14.0270 0 - 623 A3 62 ASP CG 14 0.140000 12.0110 0 - 624 A3 62 ASP OD1 43 -0.570000 15.9994 0 - 625 A3 62 ASP OD2 43 -0.570000 15.9994 0 - 626 A3 62 ASP C 14 0.600000 12.0110 0 - 627 A3 62 ASP O 40 -0.550000 15.9994 0 - 628 A3 63 LEU N 32 -0.400000 14.0067 0 - 629 A3 63 LEU H 1 0.250000 1.0080 0 - 630 A3 63 LEU CA 11 0.100000 13.0190 0 - 631 A3 63 LEU CB 12 0.000000 14.0270 0 - 632 A3 63 LEU CG 11 0.000000 13.0190 0 - 633 A3 63 LEU CD1 13 0.000000 15.0350 0 - 634 A3 63 LEU CD2 13 0.000000 15.0350 0 - 635 A3 63 LEU C 14 0.600000 12.0110 0 - 636 A3 63 LEU O 40 -0.550000 15.9994 0 - 637 A3 64 ARG N 32 -0.400000 14.0067 0 - 638 A3 64 ARG H 1 0.250000 1.0080 0 - 639 A3 64 ARG CA 11 0.100000 13.0190 0 - 640 A3 64 ARG CB 12 0.000000 14.0270 0 - 641 A3 64 ARG CG 12 0.000000 14.0270 0 - 642 A3 64 ARG CD 12 0.100000 14.0270 0 - 643 A3 64 ARG NE 32 -0.400000 14.0067 0 - 644 A3 64 ARG HE 1 0.300000 1.0080 0 - 645 A3 64 ARG CZ 14 0.500000 12.0110 0 - 646 A3 64 ARG NH1 37 -0.450000 14.0067 0 - 647 A3 64 ARG HH11 2 0.350000 1.0080 0 - 648 A3 64 ARG HH12 2 0.350000 1.0080 0 - 649 A3 64 ARG NH2 37 -0.450000 14.0067 0 - 650 A3 64 ARG HH21 2 0.350000 1.0080 0 - 651 A3 64 ARG HH22 2 0.350000 1.0080 0 - 652 A3 64 ARG C 14 0.600000 12.0110 0 - 653 A3 64 ARG O 40 -0.550000 15.9994 0 - 654 A3 65 LYS N 32 -0.400000 14.0067 0 - 655 A3 65 LYS H 1 0.250000 1.0080 0 - 656 A3 65 LYS CA 11 0.100000 13.0190 0 - 657 A3 65 LYS CB 12 0.000000 14.0270 0 - 658 A3 65 LYS CG 12 0.000000 14.0270 0 - 659 A3 65 LYS CD 12 0.000000 14.0270 0 - 660 A3 65 LYS CE 12 0.250000 14.0270 0 - 661 A3 65 LYS NZ 36 -0.300000 14.0067 0 - 662 A3 65 LYS HZ1 2 0.350000 1.0080 0 - 663 A3 65 LYS HZ2 2 0.350000 1.0080 0 - 664 A3 65 LYS HZ3 2 0.350000 1.0080 0 - 665 A3 65 LYS C 14 0.600000 12.0110 0 - 666 A3 65 LYS O 40 -0.550000 15.9994 0 - 667 A3 66 GLY N 32 -0.400000 14.0067 0 - 668 A3 66 GLY H 1 0.250000 1.0080 0 - 669 A3 66 GLY CA 12 0.100000 14.0270 0 - 670 A3 66 GLY C 14 0.600000 12.0110 0 - 671 A3 66 GLY O 40 -0.550000 15.9994 0 - 672 A3 67 VAL N 32 -0.400000 14.0067 0 - 673 A3 67 VAL H 1 0.250000 1.0080 0 - 674 A3 67 VAL CA 11 0.100000 13.0190 0 - 675 A3 67 VAL CB 11 0.000000 13.0190 0 - 676 A3 67 VAL CG1 13 0.000000 15.0350 0 - 677 A3 67 VAL CG2 13 0.000000 15.0350 0 - 678 A3 67 VAL C 14 0.600000 12.0110 0 - 679 A3 67 VAL O 40 -0.550000 15.9994 0 - 680 A3 68 TYR N 32 -0.400000 14.0067 0 - 681 A3 68 TYR H 1 0.250000 1.0080 0 - 682 A3 68 TYR CA 11 0.100000 13.0190 0 - 683 A3 68 TYR CB 12 0.000000 14.0270 0 - 684 A3 68 TYR CG 22 0.000000 12.0110 0 - 685 A3 68 TYR CD1 24 0.000000 13.0190 0 - 686 A3 68 TYR CE1 24 0.000000 13.0190 0 - 687 A3 68 TYR CD2 24 0.000000 13.0190 0 - 688 A3 68 TYR CE2 24 0.000000 13.0190 0 - 689 A3 68 TYR CZ 22 0.250000 12.0110 0 - 690 A3 68 TYR OH 45 -0.650000 15.9994 0 - 691 A3 68 TYR HH 8 0.400000 1.0080 0 - 692 A3 68 TYR C 14 0.600000 12.0110 0 - 693 A3 68 TYR O 40 -0.550000 15.9994 0 - 694 A3 69 VAL N 32 -0.400000 14.0067 0 - 695 A3 69 VAL H 1 0.250000 1.0080 0 - 696 A3 69 VAL CA 11 0.100000 13.0190 0 - 697 A3 69 VAL CB 11 0.000000 13.0190 0 - 698 A3 69 VAL CG1 13 0.000000 15.0350 0 - 699 A3 69 VAL CG2 13 0.000000 15.0350 0 - 700 A3 69 VAL C 14 0.600000 12.0110 0 - 701 A3 69 VAL O 40 -0.550000 15.9994 0 - 702 A3 70 PRO N 33 -0.250000 14.0067 0 - 703 A3 70 PRO CD 12 0.100000 14.0270 0 - 704 A3 70 PRO CA 11 0.100000 13.0190 0 - 705 A3 70 PRO CB 12 0.000000 14.0270 0 - 706 A3 70 PRO CG 12 0.000000 14.0270 0 - 707 A3 70 PRO C 14 0.600000 12.0110 0 - 708 A3 70 PRO O 40 -0.550000 15.9994 0 - 709 A3 71 TYR N 32 -0.400000 14.0067 0 - 710 A3 71 TYR H 1 0.250000 1.0080 0 - 711 A3 71 TYR CA 11 0.100000 13.0190 0 - 712 A3 71 TYR CB 12 0.000000 14.0270 0 - 713 A3 71 TYR CG 22 0.000000 12.0110 0 - 714 A3 71 TYR CD1 24 0.000000 13.0190 0 - 715 A3 71 TYR CE1 24 0.000000 13.0190 0 - 716 A3 71 TYR CD2 24 0.000000 13.0190 0 - 717 A3 71 TYR CE2 24 0.000000 13.0190 0 - 718 A3 71 TYR CZ 22 0.250000 12.0110 0 - 719 A3 71 TYR OH 45 -0.650000 15.9994 0 - 720 A3 71 TYR HH 8 0.400000 1.0080 0 - 721 A3 71 TYR C 14 0.600000 12.0110 0 - 722 A3 71 TYR O 40 -0.550000 15.9994 0 - 723 A3 72 THR N 32 -0.400000 14.0067 0 - 724 A3 72 THR H 1 0.250000 1.0080 0 - 725 A3 72 THR CA 11 0.100000 13.0190 0 - 726 A3 72 THR CB 11 0.250000 13.0190 0 - 727 A3 72 THR OG1 45 -0.650000 15.9994 0 - 728 A3 72 THR HG1 8 0.400000 1.0080 0 - 729 A3 72 THR CG2 13 0.000000 15.0350 0 - 730 A3 72 THR C 14 0.600000 12.0110 0 - 731 A3 72 THR O 40 -0.550000 15.9994 0 - 732 A3 73 GLN N 32 -0.400000 14.0067 0 - 733 A3 73 GLN H 1 0.250000 1.0080 0 - 734 A3 73 GLN CA 11 0.100000 13.0190 0 - 735 A3 73 GLN CB 12 0.000000 14.0270 0 - 736 A3 73 GLN CG 12 0.000000 14.0270 0 - 737 A3 73 GLN CD 14 0.550000 12.0110 0 - 738 A3 73 GLN OE1 40 -0.550000 15.9994 0 - 739 A3 73 GLN NE2 32 -0.600000 14.0067 0 - 740 A3 73 GLN HE21 1 0.300000 1.0080 0 - 741 A3 73 GLN HE22 1 0.300000 1.0080 0 - 742 A3 73 GLN C 14 0.600000 12.0110 0 - 743 A3 73 GLN O 40 -0.550000 15.9994 0 - 744 A3 74 GLY N 32 -0.400000 14.0067 0 - 745 A3 74 GLY H 1 0.250000 1.0080 0 - 746 A3 74 GLY CA 12 0.100000 14.0270 0 - 747 A3 74 GLY C 14 0.600000 12.0110 0 - 748 A3 74 GLY O 40 -0.550000 15.9994 0 - 749 A3 75 LYS N 32 -0.400000 14.0067 0 - 750 A3 75 LYS H 1 0.250000 1.0080 0 - 751 A3 75 LYS CA 11 0.100000 13.0190 0 - 752 A3 75 LYS CB 12 0.000000 14.0270 0 - 753 A3 75 LYS CG 12 0.000000 14.0270 0 - 754 A3 75 LYS CD 12 0.000000 14.0270 0 - 755 A3 75 LYS CE 12 0.250000 14.0270 0 - 756 A3 75 LYS NZ 36 -0.300000 14.0067 0 - 757 A3 75 LYS HZ1 2 0.350000 1.0080 0 - 758 A3 75 LYS HZ2 2 0.350000 1.0080 0 - 759 A3 75 LYS HZ3 2 0.350000 1.0080 0 - 760 A3 75 LYS C 14 0.600000 12.0110 0 - 761 A3 75 LYS O 40 -0.550000 15.9994 0 - 762 A3 76 TRP N 32 -0.400000 14.0067 0 - 763 A3 76 TRP H 1 0.250000 1.0080 0 - 764 A3 76 TRP CA 11 0.100000 13.0190 0 - 765 A3 76 TRP CB 12 0.000000 14.0270 0 - 766 A3 76 TRP CG 21 -0.030000 12.0110 0 - 767 A3 76 TRP CD2 26 0.100000 12.0110 0 - 768 A3 76 TRP CE2 26 -0.040000 12.0110 0 - 769 A3 76 TRP CE3 24 -0.030000 13.0190 0 - 770 A3 76 TRP CD1 23 0.060000 13.0190 0 - 771 A3 76 TRP NE1 34 -0.360000 14.0067 0 - 772 A3 76 TRP HE1 1 0.300000 1.0080 0 - 773 A3 76 TRP CZ2 24 0.000000 13.0190 0 - 774 A3 76 TRP CZ3 24 0.000000 13.0190 0 - 775 A3 76 TRP CH2 24 0.000000 13.0190 0 - 776 A3 76 TRP C 14 0.600000 12.0110 0 - 777 A3 76 TRP O 40 -0.550000 15.9994 0 - 778 A3 77 GLU N 32 -0.400000 14.0067 0 - 779 A3 77 GLU H 1 0.250000 1.0080 0 - 780 A3 77 GLU CA 11 0.100000 13.0190 0 - 781 A3 77 GLU CB 12 0.000000 14.0270 0 - 782 A3 77 GLU CG 12 0.000000 14.0270 0 - 783 A3 77 GLU CD 14 0.140000 12.0110 0 - 784 A3 77 GLU OE1 43 -0.570000 15.9994 0 - 785 A3 77 GLU OE2 43 -0.570000 15.9994 0 - 786 A3 77 GLU C 14 0.600000 12.0110 0 - 787 A3 77 GLU O 40 -0.550000 15.9994 0 - 788 A3 78 GLY N 32 -0.400000 14.0067 0 - 789 A3 78 GLY H 1 0.250000 1.0080 0 - 790 A3 78 GLY CA 12 0.100000 14.0270 0 - 791 A3 78 GLY C 14 0.600000 12.0110 0 - 792 A3 78 GLY O 40 -0.550000 15.9994 0 - 793 A3 79 GLU N 32 -0.400000 14.0067 0 - 794 A3 79 GLU H 1 0.250000 1.0080 0 - 795 A3 79 GLU CA 11 0.100000 13.0190 0 - 796 A3 79 GLU CB 12 0.000000 14.0270 0 - 797 A3 79 GLU CG 12 0.000000 14.0270 0 - 798 A3 79 GLU CD 14 0.140000 12.0110 0 - 799 A3 79 GLU OE1 43 -0.570000 15.9994 0 - 800 A3 79 GLU OE2 43 -0.570000 15.9994 0 - 801 A3 79 GLU C 14 0.600000 12.0110 0 - 802 A3 79 GLU O 40 -0.550000 15.9994 0 - 803 A3 80 LEU N 32 -0.400000 14.0067 0 - 804 A3 80 LEU H 1 0.250000 1.0080 0 - 805 A3 80 LEU CA 11 0.100000 13.0190 0 - 806 A3 80 LEU CB 12 0.000000 14.0270 0 - 807 A3 80 LEU CG 11 0.000000 13.0190 0 - 808 A3 80 LEU CD1 13 0.000000 15.0350 0 - 809 A3 80 LEU CD2 13 0.000000 15.0350 0 - 810 A3 80 LEU C 14 0.600000 12.0110 0 - 811 A3 80 LEU O 40 -0.550000 15.9994 0 - 812 A3 81 GLY N 32 -0.400000 14.0067 0 - 813 A3 81 GLY H 1 0.250000 1.0080 0 - 814 A3 81 GLY CA 12 0.100000 14.0270 0 - 815 A3 81 GLY C 14 0.600000 12.0110 0 - 816 A3 81 GLY O 40 -0.550000 15.9994 0 - 817 A3 82 THR N 32 -0.400000 14.0067 0 - 818 A3 82 THR H 1 0.250000 1.0080 0 - 819 A3 82 THR CA 11 0.100000 13.0190 0 - 820 A3 82 THR CB 11 0.250000 13.0190 0 - 821 A3 82 THR OG1 45 -0.650000 15.9994 0 - 822 A3 82 THR HG1 8 0.400000 1.0080 0 - 823 A3 82 THR CG2 13 0.000000 15.0350 0 - 824 A3 82 THR C 14 0.600000 12.0110 0 - 825 A3 82 THR O 40 -0.550000 15.9994 0 - 826 A3 83 ASP N 32 -0.400000 14.0067 0 - 827 A3 83 ASP H 1 0.250000 1.0080 0 - 828 A3 83 ASP CA 11 0.100000 13.0190 0 - 829 A3 83 ASP CB 12 0.000000 14.0270 0 - 830 A3 83 ASP CG 14 0.140000 12.0110 0 - 831 A3 83 ASP OD1 43 -0.570000 15.9994 0 - 832 A3 83 ASP OD2 43 -0.570000 15.9994 0 - 833 A3 83 ASP C 14 0.600000 12.0110 0 - 834 A3 83 ASP O 40 -0.550000 15.9994 0 - 835 A3 84 LEU N 32 -0.400000 14.0067 0 - 836 A3 84 LEU H 1 0.250000 1.0080 0 - 837 A3 84 LEU CA 11 0.100000 13.0190 0 - 838 A3 84 LEU CB 12 0.000000 14.0270 0 - 839 A3 84 LEU CG 11 0.000000 13.0190 0 - 840 A3 84 LEU CD1 13 0.000000 15.0350 0 - 841 A3 84 LEU CD2 13 0.000000 15.0350 0 - 842 A3 84 LEU C 14 0.600000 12.0110 0 - 843 A3 84 LEU O 40 -0.550000 15.9994 0 - 844 A3 85 VAL N 32 -0.400000 14.0067 0 - 845 A3 85 VAL H 1 0.250000 1.0080 0 - 846 A3 85 VAL CA 11 0.100000 13.0190 0 - 847 A3 85 VAL CB 11 0.000000 13.0190 0 - 848 A3 85 VAL CG1 13 0.000000 15.0350 0 - 849 A3 85 VAL CG2 13 0.000000 15.0350 0 - 850 A3 85 VAL C 14 0.600000 12.0110 0 - 851 A3 85 VAL O 40 -0.550000 15.9994 0 - 852 A3 86 SER N 32 -0.400000 14.0067 0 - 853 A3 86 SER H 1 0.250000 1.0080 0 - 854 A3 86 SER CA 11 0.100000 13.0190 0 - 855 A3 86 SER CB 12 0.250000 14.0270 0 - 856 A3 86 SER OG 45 -0.650000 15.9994 0 - 857 A3 86 SER HG 8 0.400000 1.0080 0 - 858 A3 86 SER C 14 0.600000 12.0110 0 - 859 A3 86 SER O 40 -0.550000 15.9994 0 - 860 A3 87 ILE N 32 -0.400000 14.0067 0 - 861 A3 87 ILE H 1 0.250000 1.0080 0 - 862 A3 87 ILE CA 11 0.100000 13.0190 0 - 863 A3 87 ILE CB 11 0.000000 13.0190 0 - 864 A3 87 ILE CG2 13 0.000000 15.0350 0 - 865 A3 87 ILE CG1 12 0.000000 14.0270 0 - 866 A3 87 ILE CD1 13 0.000000 15.0350 0 - 867 A3 87 ILE C 14 0.600000 12.0110 0 - 868 A3 87 ILE O 40 -0.550000 15.9994 0 - 869 A3 88 PRO N 33 -0.250000 14.0067 0 - 870 A3 88 PRO CD 12 0.100000 14.0270 0 - 871 A3 88 PRO CA 11 0.100000 13.0190 0 - 872 A3 88 PRO CB 12 0.000000 14.0270 0 - 873 A3 88 PRO CG 12 0.000000 14.0270 0 - 874 A3 88 PRO C 14 0.600000 12.0110 0 - 875 A3 88 PRO O 40 -0.550000 15.9994 0 - 876 A3 89 HIS N 32 -0.400000 14.0067 0 - 877 A3 89 HIS H 1 0.250000 1.0080 0 - 878 A3 89 HIS CA 11 0.100000 13.0190 0 - 879 A3 89 HIS CB 12 0.000000 14.0270 0 - 880 A3 89 HIS CG 21 0.100000 12.0110 0 - 881 A3 89 HIS ND1 34 -0.400000 14.0067 0 - 882 A3 89 HIS HD1 1 0.300000 1.0080 0 - 883 A3 89 HIS CD2 23 0.100000 13.0190 0 - 884 A3 89 HIS NE2 34 -0.400000 14.0067 0 - 885 A3 89 HIS CE1 23 0.300000 13.0190 0 - 886 A3 89 HIS C 14 0.600000 12.0110 0 - 887 A3 89 HIS O 40 -0.550000 15.9994 0 - 888 A3 90 GLY N 32 -0.400000 14.0067 0 - 889 A3 90 GLY H 1 0.250000 1.0080 0 - 890 A3 90 GLY CA 12 0.100000 14.0270 0 - 891 A3 90 GLY C 14 0.600000 12.0110 0 - 892 A3 90 GLY O 40 -0.550000 15.9994 0 - 893 A3 91 PRO N 33 -0.250000 14.0067 0 - 894 A3 91 PRO CD 12 0.100000 14.0270 0 - 895 A3 91 PRO CA 11 0.100000 13.0190 0 - 896 A3 91 PRO CB 12 0.000000 14.0270 0 - 897 A3 91 PRO CG 12 0.000000 14.0270 0 - 898 A3 91 PRO C 14 0.600000 12.0110 0 - 899 A3 91 PRO O 40 -0.550000 15.9994 0 - 900 A3 92 ASN N 32 -0.400000 14.0067 0 - 901 A3 92 ASN H 1 0.250000 1.0080 0 - 902 A3 92 ASN CA 11 0.100000 13.0190 0 - 903 A3 92 ASN CB 12 0.000000 14.0270 0 - 904 A3 92 ASN CG 14 0.550000 12.0110 0 - 905 A3 92 ASN OD1 40 -0.550000 15.9994 0 - 906 A3 92 ASN ND2 32 -0.600000 14.0067 0 - 907 A3 92 ASN HD21 1 0.300000 1.0080 0 - 908 A3 92 ASN HD22 1 0.300000 1.0080 0 - 909 A3 92 ASN C 14 0.600000 12.0110 0 - 910 A3 92 ASN O 40 -0.550000 15.9994 0 - 911 A3 93 VAL N 32 -0.400000 14.0067 0 - 912 A3 93 VAL H 1 0.250000 1.0080 0 - 913 A3 93 VAL CA 11 0.100000 13.0190 0 - 914 A3 93 VAL CB 11 0.000000 13.0190 0 - 915 A3 93 VAL CG1 13 0.000000 15.0350 0 - 916 A3 93 VAL CG2 13 0.000000 15.0350 0 - 917 A3 93 VAL C 14 0.600000 12.0110 0 - 918 A3 93 VAL O 40 -0.550000 15.9994 0 - 919 A3 94 THR N 32 -0.400000 14.0067 0 - 920 A3 94 THR H 1 0.250000 1.0080 0 - 921 A3 94 THR CA 11 0.100000 13.0190 0 - 922 A3 94 THR CB 11 0.250000 13.0190 0 - 923 A3 94 THR OG1 45 -0.650000 15.9994 0 - 924 A3 94 THR HG1 8 0.400000 1.0080 0 - 925 A3 94 THR CG2 13 0.000000 15.0350 0 - 926 A3 94 THR C 14 0.600000 12.0110 0 - 927 A3 94 THR O 40 -0.550000 15.9994 0 - 928 A3 95 VAL N 32 -0.400000 14.0067 0 - 929 A3 95 VAL H 1 0.250000 1.0080 0 - 930 A3 95 VAL CA 11 0.100000 13.0190 0 - 931 A3 95 VAL CB 11 0.000000 13.0190 0 - 932 A3 95 VAL CG1 13 0.000000 15.0350 0 - 933 A3 95 VAL CG2 13 0.000000 15.0350 0 - 934 A3 95 VAL C 14 0.600000 12.0110 0 - 935 A3 95 VAL O 40 -0.550000 15.9994 0 - 936 A3 96 ARG N 32 -0.400000 14.0067 0 - 937 A3 96 ARG H 1 0.250000 1.0080 0 - 938 A3 96 ARG CA 11 0.100000 13.0190 0 - 939 A3 96 ARG CB 12 0.000000 14.0270 0 - 940 A3 96 ARG CG 12 0.000000 14.0270 0 - 941 A3 96 ARG CD 12 0.100000 14.0270 0 - 942 A3 96 ARG NE 32 -0.400000 14.0067 0 - 943 A3 96 ARG HE 1 0.300000 1.0080 0 - 944 A3 96 ARG CZ 14 0.500000 12.0110 0 - 945 A3 96 ARG NH1 37 -0.450000 14.0067 0 - 946 A3 96 ARG HH11 2 0.350000 1.0080 0 - 947 A3 96 ARG HH12 2 0.350000 1.0080 0 - 948 A3 96 ARG NH2 37 -0.450000 14.0067 0 - 949 A3 96 ARG HH21 2 0.350000 1.0080 0 - 950 A3 96 ARG HH22 2 0.350000 1.0080 0 - 951 A3 96 ARG C 14 0.600000 12.0110 0 - 952 A3 96 ARG O 40 -0.550000 15.9994 0 - 953 A3 97 ALA N 32 -0.400000 14.0067 0 - 954 A3 97 ALA H 1 0.250000 1.0080 0 - 955 A3 97 ALA CA 11 0.100000 13.0190 0 - 956 A3 97 ALA CB 13 0.000000 15.0350 0 - 957 A3 97 ALA C 14 0.600000 12.0110 0 - 958 A3 97 ALA O 40 -0.550000 15.9994 0 - 959 A3 98 ASN N 32 -0.400000 14.0067 0 - 960 A3 98 ASN H 1 0.250000 1.0080 0 - 961 A3 98 ASN CA 11 0.100000 13.0190 0 - 962 A3 98 ASN CB 12 0.000000 14.0270 0 - 963 A3 98 ASN CG 14 0.550000 12.0110 0 - 964 A3 98 ASN OD1 40 -0.550000 15.9994 0 - 965 A3 98 ASN ND2 32 -0.600000 14.0067 0 - 966 A3 98 ASN HD21 1 0.300000 1.0080 0 - 967 A3 98 ASN HD22 1 0.300000 1.0080 0 - 968 A3 98 ASN C 14 0.600000 12.0110 0 - 969 A3 98 ASN O 40 -0.550000 15.9994 0 - 970 A3 99 ILE N 32 -0.400000 14.0067 0 - 971 A3 99 ILE H 1 0.250000 1.0080 0 - 972 A3 99 ILE CA 11 0.100000 13.0190 0 - 973 A3 99 ILE CB 11 0.000000 13.0190 0 - 974 A3 99 ILE CG2 13 0.000000 15.0350 0 - 975 A3 99 ILE CG1 12 0.000000 14.0270 0 - 976 A3 99 ILE CD1 13 0.000000 15.0350 0 - 977 A3 99 ILE C 14 0.600000 12.0110 0 - 978 A3 99 ILE O 40 -0.550000 15.9994 0 - 979 A3 100 ALA N 32 -0.400000 14.0067 0 - 980 A3 100 ALA H 1 0.250000 1.0080 0 - 981 A3 100 ALA CA 11 0.100000 13.0190 0 - 982 A3 100 ALA CB 13 0.000000 15.0350 0 - 983 A3 100 ALA C 14 0.600000 12.0110 0 - 984 A3 100 ALA O 40 -0.550000 15.9994 0 - 985 A3 101 ALA N 32 -0.400000 14.0067 0 - 986 A3 101 ALA H 1 0.250000 1.0080 0 - 987 A3 101 ALA CA 11 0.100000 13.0190 0 - 988 A3 101 ALA CB 13 0.000000 15.0350 0 - 989 A3 101 ALA C 14 0.600000 12.0110 0 - 990 A3 101 ALA O 40 -0.550000 15.9994 0 - 991 A3 102 ILE N 32 -0.400000 14.0067 0 - 992 A3 102 ILE H 1 0.250000 1.0080 0 - 993 A3 102 ILE CA 11 0.100000 13.0190 0 - 994 A3 102 ILE CB 11 0.000000 13.0190 0 - 995 A3 102 ILE CG2 13 0.000000 15.0350 0 - 996 A3 102 ILE CG1 12 0.000000 14.0270 0 - 997 A3 102 ILE CD1 13 0.000000 15.0350 0 - 998 A3 102 ILE C 14 0.600000 12.0110 0 - 999 A3 102 ILE O 40 -0.550000 15.9994 0 - 1000 A3 103 THR N 32 -0.400000 14.0067 0 - 1001 A3 103 THR H 1 0.250000 1.0080 0 - 1002 A3 103 THR CA 11 0.100000 13.0190 0 - 1003 A3 103 THR CB 11 0.250000 13.0190 0 - 1004 A3 103 THR OG1 45 -0.650000 15.9994 0 - 1005 A3 103 THR HG1 8 0.400000 1.0080 0 - 1006 A3 103 THR CG2 13 0.000000 15.0350 0 - 1007 A3 103 THR C 14 0.600000 12.0110 0 - 1008 A3 103 THR O 40 -0.550000 15.9994 0 - 1009 A3 104 GLU N 32 -0.400000 14.0067 0 - 1010 A3 104 GLU H 1 0.250000 1.0080 0 - 1011 A3 104 GLU CA 11 0.100000 13.0190 0 - 1012 A3 104 GLU CB 12 0.000000 14.0270 0 - 1013 A3 104 GLU CG 12 0.000000 14.0270 0 - 1014 A3 104 GLU CD 14 0.140000 12.0110 0 - 1015 A3 104 GLU OE1 43 -0.570000 15.9994 0 - 1016 A3 104 GLU OE2 43 -0.570000 15.9994 0 - 1017 A3 104 GLU C 14 0.600000 12.0110 0 - 1018 A3 104 GLU O 40 -0.550000 15.9994 0 - 1019 A3 105 SER N 32 -0.400000 14.0067 0 - 1020 A3 105 SER H 1 0.250000 1.0080 0 - 1021 A3 105 SER CA 11 0.100000 13.0190 0 - 1022 A3 105 SER CB 12 0.250000 14.0270 0 - 1023 A3 105 SER OG 45 -0.650000 15.9994 0 - 1024 A3 105 SER HG 8 0.400000 1.0080 0 - 1025 A3 105 SER C 14 0.600000 12.0110 0 - 1026 A3 105 SER O 40 -0.550000 15.9994 0 - 1027 A3 106 ASP N 32 -0.400000 14.0067 0 - 1028 A3 106 ASP H 1 0.250000 1.0080 0 - 1029 A3 106 ASP CA 11 0.100000 13.0190 0 - 1030 A3 106 ASP CB 12 0.000000 14.0270 0 - 1031 A3 106 ASP CG 14 0.140000 12.0110 0 - 1032 A3 106 ASP OD1 43 -0.570000 15.9994 0 - 1033 A3 106 ASP OD2 43 -0.570000 15.9994 0 - 1034 A3 106 ASP C 14 0.600000 12.0110 0 - 1035 A3 106 ASP O 40 -0.550000 15.9994 0 - 1036 A3 107 LYS N 32 -0.400000 14.0067 0 - 1037 A3 107 LYS H 1 0.250000 1.0080 0 - 1038 A3 107 LYS CA 11 0.100000 13.0190 0 - 1039 A3 107 LYS CB 12 0.000000 14.0270 0 - 1040 A3 107 LYS CG 12 0.000000 14.0270 0 - 1041 A3 107 LYS CD 12 0.000000 14.0270 0 - 1042 A3 107 LYS CE 12 0.250000 14.0270 0 - 1043 A3 107 LYS NZ 36 -0.300000 14.0067 0 - 1044 A3 107 LYS HZ1 2 0.350000 1.0080 0 - 1045 A3 107 LYS HZ2 2 0.350000 1.0080 0 - 1046 A3 107 LYS HZ3 2 0.350000 1.0080 0 - 1047 A3 107 LYS C 14 0.600000 12.0110 0 - 1048 A3 107 LYS O 40 -0.550000 15.9994 0 - 1049 A3 108 PHE N 32 -0.400000 14.0067 0 - 1050 A3 108 PHE H 1 0.250000 1.0080 0 - 1051 A3 108 PHE CA 11 0.100000 13.0190 0 - 1052 A3 108 PHE CB 12 0.000000 14.0270 0 - 1053 A3 108 PHE CG 22 0.000000 12.0110 0 - 1054 A3 108 PHE CD1 24 0.000000 13.0190 0 - 1055 A3 108 PHE CD2 24 0.000000 13.0190 0 - 1056 A3 108 PHE CE1 24 0.000000 13.0190 0 - 1057 A3 108 PHE CE2 24 0.000000 13.0190 0 - 1058 A3 108 PHE CZ 24 0.000000 13.0190 0 - 1059 A3 108 PHE C 14 0.600000 12.0110 0 - 1060 A3 108 PHE O 40 -0.550000 15.9994 0 - 1061 A3 109 PHE N 32 -0.400000 14.0067 0 - 1062 A3 109 PHE H 1 0.250000 1.0080 0 - 1063 A3 109 PHE CA 11 0.100000 13.0190 0 - 1064 A3 109 PHE CB 12 0.000000 14.0270 0 - 1065 A3 109 PHE CG 22 0.000000 12.0110 0 - 1066 A3 109 PHE CD1 24 0.000000 13.0190 0 - 1067 A3 109 PHE CD2 24 0.000000 13.0190 0 - 1068 A3 109 PHE CE1 24 0.000000 13.0190 0 - 1069 A3 109 PHE CE2 24 0.000000 13.0190 0 - 1070 A3 109 PHE CZ 24 0.000000 13.0190 0 - 1071 A3 109 PHE C 14 0.600000 12.0110 0 - 1072 A3 109 PHE O 40 -0.550000 15.9994 0 - 1073 A3 110 ILE N 32 -0.400000 14.0067 0 - 1074 A3 110 ILE H 1 0.250000 1.0080 0 - 1075 A3 110 ILE CA 11 0.100000 13.0190 0 - 1076 A3 110 ILE CB 11 0.000000 13.0190 0 - 1077 A3 110 ILE CG2 13 0.000000 15.0350 0 - 1078 A3 110 ILE CG1 12 0.000000 14.0270 0 - 1079 A3 110 ILE CD1 13 0.000000 15.0350 0 - 1080 A3 110 ILE C 14 0.600000 12.0110 0 - 1081 A3 110 ILE O 40 -0.550000 15.9994 0 - 1082 A3 111 ASN N 32 -0.400000 14.0067 0 - 1083 A3 111 ASN H 1 0.250000 1.0080 0 - 1084 A3 111 ASN CA 11 0.100000 13.0190 0 - 1085 A3 111 ASN CB 12 0.000000 14.0270 0 - 1086 A3 111 ASN CG 14 0.550000 12.0110 0 - 1087 A3 111 ASN OD1 40 -0.550000 15.9994 0 - 1088 A3 111 ASN ND2 32 -0.600000 14.0067 0 - 1089 A3 111 ASN HD21 1 0.300000 1.0080 0 - 1090 A3 111 ASN HD22 1 0.300000 1.0080 0 - 1091 A3 111 ASN C 14 0.600000 12.0110 0 - 1092 A3 111 ASN O 40 -0.550000 15.9994 0 - 1093 A3 112 GLY N 32 -0.400000 14.0067 0 - 1094 A3 112 GLY H 1 0.250000 1.0080 0 - 1095 A3 112 GLY CA 12 0.100000 14.0270 0 - 1096 A3 112 GLY C 14 0.600000 12.0110 0 - 1097 A3 112 GLY O 40 -0.550000 15.9994 0 - 1098 A3 113 SER N 32 -0.400000 14.0067 0 - 1099 A3 113 SER H 1 0.250000 1.0080 0 - 1100 A3 113 SER CA 11 0.100000 13.0190 0 - 1101 A3 113 SER CB 12 0.250000 14.0270 0 - 1102 A3 113 SER OG 45 -0.650000 15.9994 0 - 1103 A3 113 SER HG 8 0.400000 1.0080 0 - 1104 A3 113 SER C 14 0.600000 12.0110 0 - 1105 A3 113 SER O 40 -0.550000 15.9994 0 - 1106 A3 114 ASN N 32 -0.400000 14.0067 0 - 1107 A3 114 ASN H 1 0.250000 1.0080 0 - 1108 A3 114 ASN CA 11 0.100000 13.0190 0 - 1109 A3 114 ASN CB 12 0.000000 14.0270 0 - 1110 A3 114 ASN CG 14 0.550000 12.0110 0 - 1111 A3 114 ASN OD1 40 -0.550000 15.9994 0 - 1112 A3 114 ASN ND2 32 -0.600000 14.0067 0 - 1113 A3 114 ASN HD21 1 0.300000 1.0080 0 - 1114 A3 114 ASN HD22 1 0.300000 1.0080 0 - 1115 A3 114 ASN C 14 0.600000 12.0110 0 - 1116 A3 114 ASN O 40 -0.550000 15.9994 0 - 1117 A3 115 TRP N 32 -0.400000 14.0067 0 - 1118 A3 115 TRP H 1 0.250000 1.0080 0 - 1119 A3 115 TRP CA 11 0.100000 13.0190 0 - 1120 A3 115 TRP CB 12 0.000000 14.0270 0 - 1121 A3 115 TRP CG 21 -0.030000 12.0110 0 - 1122 A3 115 TRP CD2 26 0.100000 12.0110 0 - 1123 A3 115 TRP CE2 26 -0.040000 12.0110 0 - 1124 A3 115 TRP CE3 24 -0.030000 13.0190 0 - 1125 A3 115 TRP CD1 23 0.060000 13.0190 0 - 1126 A3 115 TRP NE1 34 -0.360000 14.0067 0 - 1127 A3 115 TRP HE1 1 0.300000 1.0080 0 - 1128 A3 115 TRP CZ2 24 0.000000 13.0190 0 - 1129 A3 115 TRP CZ3 24 0.000000 13.0190 0 - 1130 A3 115 TRP CH2 24 0.000000 13.0190 0 - 1131 A3 115 TRP C 14 0.600000 12.0110 0 - 1132 A3 115 TRP O 40 -0.550000 15.9994 0 - 1133 A3 116 GLU N 32 -0.400000 14.0067 0 - 1134 A3 116 GLU H 1 0.250000 1.0080 0 - 1135 A3 116 GLU CA 11 0.100000 13.0190 0 - 1136 A3 116 GLU CB 12 0.000000 14.0270 0 - 1137 A3 116 GLU CG 12 0.000000 14.0270 0 - 1138 A3 116 GLU CD 14 0.140000 12.0110 0 - 1139 A3 116 GLU OE1 43 -0.570000 15.9994 0 - 1140 A3 116 GLU OE2 43 -0.570000 15.9994 0 - 1141 A3 116 GLU C 14 0.600000 12.0110 0 - 1142 A3 116 GLU O 40 -0.550000 15.9994 0 - 1143 A3 117 GLY N 32 -0.400000 14.0067 0 - 1144 A3 117 GLY H 1 0.250000 1.0080 0 - 1145 A3 117 GLY CA 12 0.100000 14.0270 0 - 1146 A3 117 GLY C 14 0.600000 12.0110 0 - 1147 A3 117 GLY O 40 -0.550000 15.9994 0 - 1148 A3 118 ILE N 32 -0.400000 14.0067 0 - 1149 A3 118 ILE H 1 0.250000 1.0080 0 - 1150 A3 118 ILE CA 11 0.100000 13.0190 0 - 1151 A3 118 ILE CB 11 0.000000 13.0190 0 - 1152 A3 118 ILE CG2 13 0.000000 15.0350 0 - 1153 A3 118 ILE CG1 12 0.000000 14.0270 0 - 1154 A3 118 ILE CD1 13 0.000000 15.0350 0 - 1155 A3 118 ILE C 14 0.600000 12.0110 0 - 1156 A3 118 ILE O 40 -0.550000 15.9994 0 - 1157 A3 119 LEU N 32 -0.400000 14.0067 0 - 1158 A3 119 LEU H 1 0.250000 1.0080 0 - 1159 A3 119 LEU CA 11 0.100000 13.0190 0 - 1160 A3 119 LEU CB 12 0.000000 14.0270 0 - 1161 A3 119 LEU CG 11 0.000000 13.0190 0 - 1162 A3 119 LEU CD1 13 0.000000 15.0350 0 - 1163 A3 119 LEU CD2 13 0.000000 15.0350 0 - 1164 A3 119 LEU C 14 0.600000 12.0110 0 - 1165 A3 119 LEU O 40 -0.550000 15.9994 0 - 1166 A3 120 GLY N 32 -0.400000 14.0067 0 - 1167 A3 120 GLY H 1 0.250000 1.0080 0 - 1168 A3 120 GLY CA 12 0.100000 14.0270 0 - 1169 A3 120 GLY C 14 0.600000 12.0110 0 - 1170 A3 120 GLY O 40 -0.550000 15.9994 0 - 1171 A3 121 LEU N 32 -0.400000 14.0067 0 - 1172 A3 121 LEU H 1 0.250000 1.0080 0 - 1173 A3 121 LEU CA 11 0.100000 13.0190 0 - 1174 A3 121 LEU CB 12 0.000000 14.0270 0 - 1175 A3 121 LEU CG 11 0.000000 13.0190 0 - 1176 A3 121 LEU CD1 13 0.000000 15.0350 0 - 1177 A3 121 LEU CD2 13 0.000000 15.0350 0 - 1178 A3 121 LEU C 14 0.600000 12.0110 0 - 1179 A3 121 LEU O 40 -0.550000 15.9994 0 - 1180 A3 122 ALA N 32 -0.400000 14.0067 0 - 1181 A3 122 ALA H 1 0.250000 1.0080 0 - 1182 A3 122 ALA CA 11 0.100000 13.0190 0 - 1183 A3 122 ALA CB 13 0.000000 15.0350 0 - 1184 A3 122 ALA C 14 0.600000 12.0110 0 - 1185 A3 122 ALA O 40 -0.550000 15.9994 0 - 1186 A3 123 TYR N 32 -0.400000 14.0067 0 - 1187 A3 123 TYR H 1 0.250000 1.0080 0 - 1188 A3 123 TYR CA 11 0.100000 13.0190 0 - 1189 A3 123 TYR CB 12 0.000000 14.0270 0 - 1190 A3 123 TYR CG 22 0.000000 12.0110 0 - 1191 A3 123 TYR CD1 24 0.000000 13.0190 0 - 1192 A3 123 TYR CE1 24 0.000000 13.0190 0 - 1193 A3 123 TYR CD2 24 0.000000 13.0190 0 - 1194 A3 123 TYR CE2 24 0.000000 13.0190 0 - 1195 A3 123 TYR CZ 22 0.250000 12.0110 0 - 1196 A3 123 TYR OH 45 -0.650000 15.9994 0 - 1197 A3 123 TYR HH 8 0.400000 1.0080 0 - 1198 A3 123 TYR C 14 0.600000 12.0110 0 - 1199 A3 123 TYR O 40 -0.550000 15.9994 0 - 1200 A3 124 ALA N 32 -0.400000 14.0067 0 - 1201 A3 124 ALA H 1 0.250000 1.0080 0 - 1202 A3 124 ALA CA 11 0.100000 13.0190 0 - 1203 A3 124 ALA CB 13 0.000000 15.0350 0 - 1204 A3 124 ALA C 14 0.600000 12.0110 0 - 1205 A3 124 ALA O 40 -0.550000 15.9994 0 - 1206 A3 125 GLU N 32 -0.400000 14.0067 0 - 1207 A3 125 GLU H 1 0.250000 1.0080 0 - 1208 A3 125 GLU CA 11 0.100000 13.0190 0 - 1209 A3 125 GLU CB 12 0.000000 14.0270 0 - 1210 A3 125 GLU CG 12 0.000000 14.0270 0 - 1211 A3 125 GLU CD 14 0.140000 12.0110 0 - 1212 A3 125 GLU OE1 43 -0.570000 15.9994 0 - 1213 A3 125 GLU OE2 43 -0.570000 15.9994 0 - 1214 A3 125 GLU C 14 0.600000 12.0110 0 - 1215 A3 125 GLU O 40 -0.550000 15.9994 0 - 1216 A3 126 ILE N 32 -0.400000 14.0067 0 - 1217 A3 126 ILE H 1 0.250000 1.0080 0 - 1218 A3 126 ILE CA 11 0.100000 13.0190 0 - 1219 A3 126 ILE CB 11 0.000000 13.0190 0 - 1220 A3 126 ILE CG2 13 0.000000 15.0350 0 - 1221 A3 126 ILE CG1 12 0.000000 14.0270 0 - 1222 A3 126 ILE CD1 13 0.000000 15.0350 0 - 1223 A3 126 ILE C 14 0.600000 12.0110 0 - 1224 A3 126 ILE O 40 -0.550000 15.9994 0 - 1225 A3 127 ALA N 32 -0.400000 14.0067 0 - 1226 A3 127 ALA H 1 0.250000 1.0080 0 - 1227 A3 127 ALA CA 11 0.100000 13.0190 0 - 1228 A3 127 ALA CB 13 0.000000 15.0350 0 - 1229 A3 127 ALA C 14 0.600000 12.0110 0 - 1230 A3 127 ALA O 40 -0.550000 15.9994 0 - 1231 A3 128 ARG N 32 -0.400000 14.0067 0 - 1232 A3 128 ARG H 1 0.250000 1.0080 0 - 1233 A3 128 ARG CA 11 0.100000 13.0190 0 - 1234 A3 128 ARG CB 12 0.000000 14.0270 0 - 1235 A3 128 ARG CG 12 0.000000 14.0270 0 - 1236 A3 128 ARG CD 12 0.100000 14.0270 0 - 1237 A3 128 ARG NE 32 -0.400000 14.0067 0 - 1238 A3 128 ARG HE 1 0.300000 1.0080 0 - 1239 A3 128 ARG CZ 14 0.500000 12.0110 0 - 1240 A3 128 ARG NH1 37 -0.450000 14.0067 0 - 1241 A3 128 ARG HH11 2 0.350000 1.0080 0 - 1242 A3 128 ARG HH12 2 0.350000 1.0080 0 - 1243 A3 128 ARG NH2 37 -0.450000 14.0067 0 - 1244 A3 128 ARG HH21 2 0.350000 1.0080 0 - 1245 A3 128 ARG HH22 2 0.350000 1.0080 0 - 1246 A3 128 ARG C 14 0.600000 12.0110 0 - 1247 A3 128 ARG O 40 -0.550000 15.9994 0 - 1248 A3 129 PRO N 33 -0.250000 14.0067 0 - 1249 A3 129 PRO CD 12 0.100000 14.0270 0 - 1250 A3 129 PRO CA 11 0.100000 13.0190 0 - 1251 A3 129 PRO CB 12 0.000000 14.0270 0 - 1252 A3 129 PRO CG 12 0.000000 14.0270 0 - 1253 A3 129 PRO C 14 0.600000 12.0110 0 - 1254 A3 129 PRO O 40 -0.550000 15.9994 0 - 1255 A3 130 ASP N 32 -0.400000 14.0067 0 - 1256 A3 130 ASP H 1 0.250000 1.0080 0 - 1257 A3 130 ASP CA 11 0.100000 13.0190 0 - 1258 A3 130 ASP CB 12 0.000000 14.0270 0 - 1259 A3 130 ASP CG 14 0.140000 12.0110 0 - 1260 A3 130 ASP OD1 43 -0.570000 15.9994 0 - 1261 A3 130 ASP OD2 43 -0.570000 15.9994 0 - 1262 A3 130 ASP C 14 0.600000 12.0110 0 - 1263 A3 130 ASP O 40 -0.550000 15.9994 0 - 1264 A3 131 ASP N 32 -0.400000 14.0067 0 - 1265 A3 131 ASP H 1 0.250000 1.0080 0 - 1266 A3 131 ASP CA 11 0.100000 13.0190 0 - 1267 A3 131 ASP CB 12 0.000000 14.0270 0 - 1268 A3 131 ASP CG 14 0.140000 12.0110 0 - 1269 A3 131 ASP OD1 43 -0.570000 15.9994 0 - 1270 A3 131 ASP OD2 43 -0.570000 15.9994 0 - 1271 A3 131 ASP C 14 0.600000 12.0110 0 - 1272 A3 131 ASP O 40 -0.550000 15.9994 0 - 1273 A3 132 SER N 32 -0.400000 14.0067 0 - 1274 A3 132 SER H 1 0.250000 1.0080 0 - 1275 A3 132 SER CA 11 0.100000 13.0190 0 - 1276 A3 132 SER CB 12 0.250000 14.0270 0 - 1277 A3 132 SER OG 45 -0.650000 15.9994 0 - 1278 A3 132 SER HG 8 0.400000 1.0080 0 - 1279 A3 132 SER C 14 0.600000 12.0110 0 - 1280 A3 132 SER O 40 -0.550000 15.9994 0 - 1281 A3 133 LEU N 32 -0.400000 14.0067 0 - 1282 A3 133 LEU H 1 0.250000 1.0080 0 - 1283 A3 133 LEU CA 11 0.100000 13.0190 0 - 1284 A3 133 LEU CB 12 0.000000 14.0270 0 - 1285 A3 133 LEU CG 11 0.000000 13.0190 0 - 1286 A3 133 LEU CD1 13 0.000000 15.0350 0 - 1287 A3 133 LEU CD2 13 0.000000 15.0350 0 - 1288 A3 133 LEU C 14 0.600000 12.0110 0 - 1289 A3 133 LEU O 40 -0.550000 15.9994 0 - 1290 A3 134 GLU N 32 -0.400000 14.0067 0 - 1291 A3 134 GLU H 1 0.250000 1.0080 0 - 1292 A3 134 GLU CA 11 0.100000 13.0190 0 - 1293 A3 134 GLU CB 12 0.000000 14.0270 0 - 1294 A3 134 GLU CG 12 0.000000 14.0270 0 - 1295 A3 134 GLU CD 14 0.140000 12.0110 0 - 1296 A3 134 GLU OE1 43 -0.570000 15.9994 0 - 1297 A3 134 GLU OE2 43 -0.570000 15.9994 0 - 1298 A3 134 GLU C 14 0.600000 12.0110 0 - 1299 A3 134 GLU O 40 -0.550000 15.9994 0 - 1300 A3 135 PRO N 33 -0.250000 14.0067 0 - 1301 A3 135 PRO CD 12 0.100000 14.0270 0 - 1302 A3 135 PRO CA 11 0.100000 13.0190 0 - 1303 A3 135 PRO CB 12 0.000000 14.0270 0 - 1304 A3 135 PRO CG 12 0.000000 14.0270 0 - 1305 A3 135 PRO C 14 0.600000 12.0110 0 - 1306 A3 135 PRO O 40 -0.550000 15.9994 0 - 1307 A3 136 PHE N 32 -0.400000 14.0067 0 - 1308 A3 136 PHE H 1 0.250000 1.0080 0 - 1309 A3 136 PHE CA 11 0.100000 13.0190 0 - 1310 A3 136 PHE CB 12 0.000000 14.0270 0 - 1311 A3 136 PHE CG 22 0.000000 12.0110 0 - 1312 A3 136 PHE CD1 24 0.000000 13.0190 0 - 1313 A3 136 PHE CD2 24 0.000000 13.0190 0 - 1314 A3 136 PHE CE1 24 0.000000 13.0190 0 - 1315 A3 136 PHE CE2 24 0.000000 13.0190 0 - 1316 A3 136 PHE CZ 24 0.000000 13.0190 0 - 1317 A3 136 PHE C 14 0.600000 12.0110 0 - 1318 A3 136 PHE O 40 -0.550000 15.9994 0 - 1319 A3 137 PHE N 32 -0.400000 14.0067 0 - 1320 A3 137 PHE H 1 0.250000 1.0080 0 - 1321 A3 137 PHE CA 11 0.100000 13.0190 0 - 1322 A3 137 PHE CB 12 0.000000 14.0270 0 - 1323 A3 137 PHE CG 22 0.000000 12.0110 0 - 1324 A3 137 PHE CD1 24 0.000000 13.0190 0 - 1325 A3 137 PHE CD2 24 0.000000 13.0190 0 - 1326 A3 137 PHE CE1 24 0.000000 13.0190 0 - 1327 A3 137 PHE CE2 24 0.000000 13.0190 0 - 1328 A3 137 PHE CZ 24 0.000000 13.0190 0 - 1329 A3 137 PHE C 14 0.600000 12.0110 0 - 1330 A3 137 PHE O 40 -0.550000 15.9994 0 - 1331 A3 138 ASP N 32 -0.400000 14.0067 0 - 1332 A3 138 ASP H 1 0.250000 1.0080 0 - 1333 A3 138 ASP CA 11 0.100000 13.0190 0 - 1334 A3 138 ASP CB 12 0.000000 14.0270 0 - 1335 A3 138 ASP CG 14 0.140000 12.0110 0 - 1336 A3 138 ASP OD1 43 -0.570000 15.9994 0 - 1337 A3 138 ASP OD2 43 -0.570000 15.9994 0 - 1338 A3 138 ASP C 14 0.600000 12.0110 0 - 1339 A3 138 ASP O 40 -0.550000 15.9994 0 - 1340 A3 139 SER N 32 -0.400000 14.0067 0 - 1341 A3 139 SER H 1 0.250000 1.0080 0 - 1342 A3 139 SER CA 11 0.100000 13.0190 0 - 1343 A3 139 SER CB 12 0.250000 14.0270 0 - 1344 A3 139 SER OG 45 -0.650000 15.9994 0 - 1345 A3 139 SER HG 8 0.400000 1.0080 0 - 1346 A3 139 SER C 14 0.600000 12.0110 0 - 1347 A3 139 SER O 40 -0.550000 15.9994 0 - 1348 A3 140 LEU N 32 -0.400000 14.0067 0 - 1349 A3 140 LEU H 1 0.250000 1.0080 0 - 1350 A3 140 LEU CA 11 0.100000 13.0190 0 - 1351 A3 140 LEU CB 12 0.000000 14.0270 0 - 1352 A3 140 LEU CG 11 0.000000 13.0190 0 - 1353 A3 140 LEU CD1 13 0.000000 15.0350 0 - 1354 A3 140 LEU CD2 13 0.000000 15.0350 0 - 1355 A3 140 LEU C 14 0.600000 12.0110 0 - 1356 A3 140 LEU O 40 -0.550000 15.9994 0 - 1357 A3 141 VAL N 32 -0.400000 14.0067 0 - 1358 A3 141 VAL H 1 0.250000 1.0080 0 - 1359 A3 141 VAL CA 11 0.100000 13.0190 0 - 1360 A3 141 VAL CB 11 0.000000 13.0190 0 - 1361 A3 141 VAL CG1 13 0.000000 15.0350 0 - 1362 A3 141 VAL CG2 13 0.000000 15.0350 0 - 1363 A3 141 VAL C 14 0.600000 12.0110 0 - 1364 A3 141 VAL O 40 -0.550000 15.9994 0 - 1365 A3 142 LYS N 32 -0.400000 14.0067 0 - 1366 A3 142 LYS H 1 0.250000 1.0080 0 - 1367 A3 142 LYS CA 11 0.100000 13.0190 0 - 1368 A3 142 LYS CB 12 0.000000 14.0270 0 - 1369 A3 142 LYS CG 12 0.000000 14.0270 0 - 1370 A3 142 LYS CD 12 0.000000 14.0270 0 - 1371 A3 142 LYS CE 12 0.250000 14.0270 0 - 1372 A3 142 LYS NZ 36 -0.300000 14.0067 0 - 1373 A3 142 LYS HZ1 2 0.350000 1.0080 0 - 1374 A3 142 LYS HZ2 2 0.350000 1.0080 0 - 1375 A3 142 LYS HZ3 2 0.350000 1.0080 0 - 1376 A3 142 LYS C 14 0.600000 12.0110 0 - 1377 A3 142 LYS O 40 -0.550000 15.9994 0 - 1378 A3 143 GLN N 32 -0.400000 14.0067 0 - 1379 A3 143 GLN H 1 0.250000 1.0080 0 - 1380 A3 143 GLN CA 11 0.100000 13.0190 0 - 1381 A3 143 GLN CB 12 0.000000 14.0270 0 - 1382 A3 143 GLN CG 12 0.000000 14.0270 0 - 1383 A3 143 GLN CD 14 0.550000 12.0110 0 - 1384 A3 143 GLN OE1 40 -0.550000 15.9994 0 - 1385 A3 143 GLN NE2 32 -0.600000 14.0067 0 - 1386 A3 143 GLN HE21 1 0.300000 1.0080 0 - 1387 A3 143 GLN HE22 1 0.300000 1.0080 0 - 1388 A3 143 GLN C 14 0.600000 12.0110 0 - 1389 A3 143 GLN O 40 -0.550000 15.9994 0 - 1390 A3 144 THR N 32 -0.400000 14.0067 0 - 1391 A3 144 THR H 1 0.250000 1.0080 0 - 1392 A3 144 THR CA 11 0.100000 13.0190 0 - 1393 A3 144 THR CB 11 0.250000 13.0190 0 - 1394 A3 144 THR OG1 45 -0.650000 15.9994 0 - 1395 A3 144 THR HG1 8 0.400000 1.0080 0 - 1396 A3 144 THR CG2 13 0.000000 15.0350 0 - 1397 A3 144 THR C 14 0.600000 12.0110 0 - 1398 A3 144 THR O 40 -0.550000 15.9994 0 - 1399 A3 145 HIS N 32 -0.400000 14.0067 0 - 1400 A3 145 HIS H 1 0.250000 1.0080 0 - 1401 A3 145 HIS CA 11 0.100000 13.0190 0 - 1402 A3 145 HIS CB 12 0.000000 14.0270 0 - 1403 A3 145 HIS CG 21 0.100000 12.0110 0 - 1404 A3 145 HIS ND1 34 -0.400000 14.0067 0 - 1405 A3 145 HIS HD1 1 0.300000 1.0080 0 - 1406 A3 145 HIS CD2 23 0.100000 13.0190 0 - 1407 A3 145 HIS NE2 34 -0.400000 14.0067 0 - 1408 A3 145 HIS CE1 23 0.300000 13.0190 0 - 1409 A3 145 HIS C 14 0.600000 12.0110 0 - 1410 A3 145 HIS O 40 -0.550000 15.9994 0 - 1411 A3 146 VAL N 32 -0.400000 14.0067 0 - 1412 A3 146 VAL H 1 0.250000 1.0080 0 - 1413 A3 146 VAL CA 11 0.100000 13.0190 0 - 1414 A3 146 VAL CB 11 0.000000 13.0190 0 - 1415 A3 146 VAL CG1 13 0.000000 15.0350 0 - 1416 A3 146 VAL CG2 13 0.000000 15.0350 0 - 1417 A3 146 VAL C 14 0.600000 12.0110 0 - 1418 A3 146 VAL O 40 -0.550000 15.9994 0 - 1419 A3 147 PRO N 33 -0.250000 14.0067 0 - 1420 A3 147 PRO CD 12 0.100000 14.0270 0 - 1421 A3 147 PRO CA 11 0.100000 13.0190 0 - 1422 A3 147 PRO CB 12 0.000000 14.0270 0 - 1423 A3 147 PRO CG 12 0.000000 14.0270 0 - 1424 A3 147 PRO C 14 0.600000 12.0110 0 - 1425 A3 147 PRO O 40 -0.550000 15.9994 0 - 1426 A3 148 ASN N 32 -0.400000 14.0067 0 - 1427 A3 148 ASN H 1 0.250000 1.0080 0 - 1428 A3 148 ASN CA 11 0.100000 13.0190 0 - 1429 A3 148 ASN CB 12 0.000000 14.0270 0 - 1430 A3 148 ASN CG 14 0.550000 12.0110 0 - 1431 A3 148 ASN OD1 40 -0.550000 15.9994 0 - 1432 A3 148 ASN ND2 32 -0.600000 14.0067 0 - 1433 A3 148 ASN HD21 1 0.300000 1.0080 0 - 1434 A3 148 ASN HD22 1 0.300000 1.0080 0 - 1435 A3 148 ASN C 14 0.600000 12.0110 0 - 1436 A3 148 ASN O 40 -0.550000 15.9994 0 - 1437 A3 149 LEU N 32 -0.400000 14.0067 0 - 1438 A3 149 LEU H 1 0.250000 1.0080 0 - 1439 A3 149 LEU CA 11 0.100000 13.0190 0 - 1440 A3 149 LEU CB 12 0.000000 14.0270 0 - 1441 A3 149 LEU CG 11 0.000000 13.0190 0 - 1442 A3 149 LEU CD1 13 0.000000 15.0350 0 - 1443 A3 149 LEU CD2 13 0.000000 15.0350 0 - 1444 A3 149 LEU C 14 0.600000 12.0110 0 - 1445 A3 149 LEU O 40 -0.550000 15.9994 0 - 1446 A3 150 PHE N 32 -0.400000 14.0067 0 - 1447 A3 150 PHE H 1 0.250000 1.0080 0 - 1448 A3 150 PHE CA 11 0.100000 13.0190 0 - 1449 A3 150 PHE CB 12 0.000000 14.0270 0 - 1450 A3 150 PHE CG 22 0.000000 12.0110 0 - 1451 A3 150 PHE CD1 24 0.000000 13.0190 0 - 1452 A3 150 PHE CD2 24 0.000000 13.0190 0 - 1453 A3 150 PHE CE1 24 0.000000 13.0190 0 - 1454 A3 150 PHE CE2 24 0.000000 13.0190 0 - 1455 A3 150 PHE CZ 24 0.000000 13.0190 0 - 1456 A3 150 PHE C 14 0.600000 12.0110 0 - 1457 A3 150 PHE O 40 -0.550000 15.9994 0 - 1458 A3 151 SER N 32 -0.400000 14.0067 0 - 1459 A3 151 SER H 1 0.250000 1.0080 0 - 1460 A3 151 SER CA 11 0.100000 13.0190 0 - 1461 A3 151 SER CB 12 0.250000 14.0270 0 - 1462 A3 151 SER OG 45 -0.650000 15.9994 0 - 1463 A3 151 SER HG 8 0.400000 1.0080 0 - 1464 A3 151 SER C 14 0.600000 12.0110 0 - 1465 A3 151 SER O 40 -0.550000 15.9994 0 - 1466 A3 152 LEU N 32 -0.400000 14.0067 0 - 1467 A3 152 LEU H 1 0.250000 1.0080 0 - 1468 A3 152 LEU CA 11 0.100000 13.0190 0 - 1469 A3 152 LEU CB 12 0.000000 14.0270 0 - 1470 A3 152 LEU CG 11 0.000000 13.0190 0 - 1471 A3 152 LEU CD1 13 0.000000 15.0350 0 - 1472 A3 152 LEU CD2 13 0.000000 15.0350 0 - 1473 A3 152 LEU C 14 0.600000 12.0110 0 - 1474 A3 152 LEU O 40 -0.550000 15.9994 0 - 1475 A3 153 GLN N 32 -0.400000 14.0067 0 - 1476 A3 153 GLN H 1 0.250000 1.0080 0 - 1477 A3 153 GLN CA 11 0.100000 13.0190 0 - 1478 A3 153 GLN CB 12 0.000000 14.0270 0 - 1479 A3 153 GLN CG 12 0.000000 14.0270 0 - 1480 A3 153 GLN CD 14 0.550000 12.0110 0 - 1481 A3 153 GLN OE1 40 -0.550000 15.9994 0 - 1482 A3 153 GLN NE2 32 -0.600000 14.0067 0 - 1483 A3 153 GLN HE21 1 0.300000 1.0080 0 - 1484 A3 153 GLN HE22 1 0.300000 1.0080 0 - 1485 A3 153 GLN C 14 0.600000 12.0110 0 - 1486 A3 153 GLN O 40 -0.550000 15.9994 0 - 1487 A3 154 LEU N 32 -0.400000 14.0067 0 - 1488 A3 154 LEU H 1 0.250000 1.0080 0 - 1489 A3 154 LEU CA 11 0.100000 13.0190 0 - 1490 A3 154 LEU CB 12 0.000000 14.0270 0 - 1491 A3 154 LEU CG 11 0.000000 13.0190 0 - 1492 A3 154 LEU CD1 13 0.000000 15.0350 0 - 1493 A3 154 LEU CD2 13 0.000000 15.0350 0 - 1494 A3 154 LEU C 14 0.600000 12.0110 0 - 1495 A3 154 LEU O 40 -0.550000 15.9994 0 - 1496 A3 155 CYS N 32 -0.400000 14.0067 0 - 1497 A3 155 CYS H 1 0.250000 1.0080 0 - 1498 A3 155 CYS CA 11 0.100000 13.0190 0 - 1499 A3 155 CYS CB 12 0.190000 14.0270 0 - 1500 A3 155 CYS SG 70 -0.190000 32.0600 0 - 1501 A3 155 CYS C 14 0.600000 12.0110 0 - 1502 A3 155 CYS O 40 -0.550000 15.9994 0 - 1503 A3 156 GLY N 32 -0.400000 14.0067 0 - 1504 A3 156 GLY H 1 0.250000 1.0080 0 - 1505 A3 156 GLY CA 12 0.100000 14.0270 0 - 1506 A3 156 GLY C 14 0.600000 12.0110 0 - 1507 A3 156 GLY O 40 -0.550000 15.9994 0 - 1508 A3 157 ALA N 32 -0.400000 14.0067 0 - 1509 A3 157 ALA H 1 0.250000 1.0080 0 - 1510 A3 157 ALA CA 11 0.100000 13.0190 0 - 1511 A3 157 ALA CB 13 0.000000 15.0350 0 - 1512 A3 157 ALA C 14 0.600000 12.0110 0 - 1513 A3 157 ALA O 40 -0.550000 15.9994 0 - 1514 A4 169 SER N 32 -0.400000 14.0067 0 - 1515 A4 169 SER H 1 0.250000 1.0080 0 - 1516 A4 169 SER CA 11 0.100000 13.0190 0 - 1517 A4 169 SER CB 12 0.250000 14.0270 0 - 1518 A4 169 SER OG 45 -0.650000 15.9994 0 - 1519 A4 169 SER HG 8 0.400000 1.0080 0 - 1520 A4 169 SER C 14 0.600000 12.0110 0 - 1521 A4 169 SER O 40 -0.550000 15.9994 0 - 1522 A4 170 VAL N 32 -0.400000 14.0067 0 - 1523 A4 170 VAL H 1 0.250000 1.0080 0 - 1524 A4 170 VAL CA 11 0.100000 13.0190 0 - 1525 A4 170 VAL CB 11 0.000000 13.0190 0 - 1526 A4 170 VAL CG1 13 0.000000 15.0350 0 - 1527 A4 170 VAL CG2 13 0.000000 15.0350 0 - 1528 A4 170 VAL C 14 0.600000 12.0110 0 - 1529 A4 170 VAL O 40 -0.550000 15.9994 0 - 1530 A4 171 GLY N 32 -0.400000 14.0067 0 - 1531 A4 171 GLY H 1 0.250000 1.0080 0 - 1532 A4 171 GLY CA 12 0.100000 14.0270 0 - 1533 A4 171 GLY C 14 0.600000 12.0110 0 - 1534 A4 171 GLY O 40 -0.550000 15.9994 0 - 1535 A4 172 GLY N 32 -0.400000 14.0067 0 - 1536 A4 172 GLY H 1 0.250000 1.0080 0 - 1537 A4 172 GLY CA 12 0.100000 14.0270 0 - 1538 A4 172 GLY C 14 0.600000 12.0110 0 - 1539 A4 172 GLY O 40 -0.550000 15.9994 0 - 1540 A4 173 SER N 32 -0.400000 14.0067 0 - 1541 A4 173 SER H 1 0.250000 1.0080 0 - 1542 A4 173 SER CA 11 0.100000 13.0190 0 - 1543 A4 173 SER CB 12 0.250000 14.0270 0 - 1544 A4 173 SER OG 45 -0.650000 15.9994 0 - 1545 A4 173 SER HG 8 0.400000 1.0080 0 - 1546 A4 173 SER C 14 0.600000 12.0110 0 - 1547 A4 173 SER O 40 -0.550000 15.9994 0 - 1548 A4 174 MET N 32 -0.400000 14.0067 0 - 1549 A4 174 MET H 1 0.250000 1.0080 0 - 1550 A4 174 MET CA 11 0.100000 13.0190 0 - 1551 A4 174 MET CB 12 0.000000 14.0270 0 - 1552 A4 174 MET CG 12 0.060000 14.0270 0 - 1553 A4 174 MET SD 74 -0.120000 32.0600 0 - 1554 A4 174 MET CE 13 0.060000 15.0350 0 - 1555 A4 174 MET C 14 0.600000 12.0110 0 - 1556 A4 174 MET O 40 -0.550000 15.9994 0 - 1557 A4 175 ILE N 32 -0.400000 14.0067 0 - 1558 A4 175 ILE H 1 0.250000 1.0080 0 - 1559 A4 175 ILE CA 11 0.100000 13.0190 0 - 1560 A4 175 ILE CB 11 0.000000 13.0190 0 - 1561 A4 175 ILE CG2 13 0.000000 15.0350 0 - 1562 A4 175 ILE CG1 12 0.000000 14.0270 0 - 1563 A4 175 ILE CD1 13 0.000000 15.0350 0 - 1564 A4 175 ILE C 14 0.600000 12.0110 0 - 1565 A4 175 ILE O 40 -0.550000 15.9994 0 - 1566 A4 176 ILE N 32 -0.400000 14.0067 0 - 1567 A4 176 ILE H 1 0.250000 1.0080 0 - 1568 A4 176 ILE CA 11 0.100000 13.0190 0 - 1569 A4 176 ILE CB 11 0.000000 13.0190 0 - 1570 A4 176 ILE CG2 13 0.000000 15.0350 0 - 1571 A4 176 ILE CG1 12 0.000000 14.0270 0 - 1572 A4 176 ILE CD1 13 0.000000 15.0350 0 - 1573 A4 176 ILE C 14 0.600000 12.0110 0 - 1574 A4 176 ILE O 40 -0.550000 15.9994 0 - 1575 A4 177 GLY N 32 -0.400000 14.0067 0 - 1576 A4 177 GLY H 1 0.250000 1.0080 0 - 1577 A4 177 GLY CA 12 0.100000 14.0270 0 - 1578 A4 177 GLY C 14 0.600000 12.0110 0 - 1579 A4 177 GLY O 40 -0.550000 15.9994 0 - 1580 A4 178 GLY N 32 -0.400000 14.0067 0 - 1581 A4 178 GLY H 1 0.250000 1.0080 0 - 1582 A4 178 GLY CA 12 0.100000 14.0270 0 - 1583 A4 178 GLY C 14 0.600000 12.0110 0 - 1584 A4 178 GLY O 40 -0.550000 15.9994 0 - 1585 A4 179 ILE N 32 -0.400000 14.0067 0 - 1586 A4 179 ILE H 1 0.250000 1.0080 0 - 1587 A4 179 ILE CA 11 0.100000 13.0190 0 - 1588 A4 179 ILE CB 11 0.000000 13.0190 0 - 1589 A4 179 ILE CG2 13 0.000000 15.0350 0 - 1590 A4 179 ILE CG1 12 0.000000 14.0270 0 - 1591 A4 179 ILE CD1 13 0.000000 15.0350 0 - 1592 A4 179 ILE C 14 0.600000 12.0110 0 - 1593 A4 179 ILE O 40 -0.550000 15.9994 0 - 1594 A4 180 ASP N 32 -0.400000 14.0067 0 - 1595 A4 180 ASP H 1 0.250000 1.0080 0 - 1596 A4 180 ASP CA 11 0.100000 13.0190 0 - 1597 A4 180 ASP CB 12 0.000000 14.0270 0 - 1598 A4 180 ASP CG 14 0.140000 12.0110 0 - 1599 A4 180 ASP OD1 43 -0.570000 15.9994 0 - 1600 A4 180 ASP OD2 43 -0.570000 15.9994 0 - 1601 A4 180 ASP C 14 0.600000 12.0110 0 - 1602 A4 180 ASP O 40 -0.550000 15.9994 0 - 1603 A4 181 HIS N 32 -0.400000 14.0067 0 - 1604 A4 181 HIS H 1 0.250000 1.0080 0 - 1605 A4 181 HIS CA 11 0.100000 13.0190 0 - 1606 A4 181 HIS CB 12 0.000000 14.0270 0 - 1607 A4 181 HIS CG 21 0.100000 12.0110 0 - 1608 A4 181 HIS ND1 34 -0.400000 14.0067 0 - 1609 A4 181 HIS HD1 1 0.300000 1.0080 0 - 1610 A4 181 HIS CD2 23 0.100000 13.0190 0 - 1611 A4 181 HIS NE2 34 -0.400000 14.0067 0 - 1612 A4 181 HIS CE1 23 0.300000 13.0190 0 - 1613 A4 181 HIS C 14 0.600000 12.0110 0 - 1614 A4 181 HIS O 40 -0.550000 15.9994 0 - 1615 A4 182 SER N 32 -0.400000 14.0067 0 - 1616 A4 182 SER H 1 0.250000 1.0080 0 - 1617 A4 182 SER CA 11 0.100000 13.0190 0 - 1618 A4 182 SER CB 12 0.250000 14.0270 0 - 1619 A4 182 SER OG 45 -0.650000 15.9994 0 - 1620 A4 182 SER HG 8 0.400000 1.0080 0 - 1621 A4 182 SER C 14 0.600000 12.0110 0 - 1622 A4 182 SER O 40 -0.550000 15.9994 0 - 1623 A4 183 LEU N 32 -0.400000 14.0067 0 - 1624 A4 183 LEU H 1 0.250000 1.0080 0 - 1625 A4 183 LEU CA 11 0.100000 13.0190 0 - 1626 A4 183 LEU CB 12 0.000000 14.0270 0 - 1627 A4 183 LEU CG 11 0.000000 13.0190 0 - 1628 A4 183 LEU CD1 13 0.000000 15.0350 0 - 1629 A4 183 LEU CD2 13 0.000000 15.0350 0 - 1630 A4 183 LEU C 14 0.600000 12.0110 0 - 1631 A4 183 LEU O 40 -0.550000 15.9994 0 - 1632 A4 184 TYR N 32 -0.400000 14.0067 0 - 1633 A4 184 TYR H 1 0.250000 1.0080 0 - 1634 A4 184 TYR CA 11 0.100000 13.0190 0 - 1635 A4 184 TYR CB 12 0.000000 14.0270 0 - 1636 A4 184 TYR CG 22 0.000000 12.0110 0 - 1637 A4 184 TYR CD1 24 0.000000 13.0190 0 - 1638 A4 184 TYR CE1 24 0.000000 13.0190 0 - 1639 A4 184 TYR CD2 24 0.000000 13.0190 0 - 1640 A4 184 TYR CE2 24 0.000000 13.0190 0 - 1641 A4 184 TYR CZ 22 0.250000 12.0110 0 - 1642 A4 184 TYR OH 45 -0.650000 15.9994 0 - 1643 A4 184 TYR HH 8 0.400000 1.0080 0 - 1644 A4 184 TYR C 14 0.600000 12.0110 0 - 1645 A4 184 TYR O 40 -0.550000 15.9994 0 - 1646 A4 185 THR N 32 -0.400000 14.0067 0 - 1647 A4 185 THR H 1 0.250000 1.0080 0 - 1648 A4 185 THR CA 11 0.100000 13.0190 0 - 1649 A4 185 THR CB 11 0.250000 13.0190 0 - 1650 A4 185 THR OG1 45 -0.650000 15.9994 0 - 1651 A4 185 THR HG1 8 0.400000 1.0080 0 - 1652 A4 185 THR CG2 13 0.000000 15.0350 0 - 1653 A4 185 THR C 14 0.600000 12.0110 0 - 1654 A4 185 THR O 40 -0.550000 15.9994 0 - 1655 A4 186 GLY N 32 -0.400000 14.0067 0 - 1656 A4 186 GLY H 1 0.250000 1.0080 0 - 1657 A4 186 GLY CA 12 0.100000 14.0270 0 - 1658 A4 186 GLY C 14 0.600000 12.0110 0 - 1659 A4 186 GLY O 40 -0.550000 15.9994 0 - 1660 A4 187 SER N 32 -0.400000 14.0067 0 - 1661 A4 187 SER H 1 0.250000 1.0080 0 - 1662 A4 187 SER CA 11 0.100000 13.0190 0 - 1663 A4 187 SER CB 12 0.250000 14.0270 0 - 1664 A4 187 SER OG 45 -0.650000 15.9994 0 - 1665 A4 187 SER HG 8 0.400000 1.0080 0 - 1666 A4 187 SER C 14 0.600000 12.0110 0 - 1667 A4 187 SER O 40 -0.550000 15.9994 0 - 1668 A4 188 LEU N 32 -0.400000 14.0067 0 - 1669 A4 188 LEU H 1 0.250000 1.0080 0 - 1670 A4 188 LEU CA 11 0.100000 13.0190 0 - 1671 A4 188 LEU CB 12 0.000000 14.0270 0 - 1672 A4 188 LEU CG 11 0.000000 13.0190 0 - 1673 A4 188 LEU CD1 13 0.000000 15.0350 0 - 1674 A4 188 LEU CD2 13 0.000000 15.0350 0 - 1675 A4 188 LEU C 14 0.600000 12.0110 0 - 1676 A4 188 LEU O 40 -0.550000 15.9994 0 - 1677 A4 189 TRP N 32 -0.400000 14.0067 0 - 1678 A4 189 TRP H 1 0.250000 1.0080 0 - 1679 A4 189 TRP CA 11 0.100000 13.0190 0 - 1680 A4 189 TRP CB 12 0.000000 14.0270 0 - 1681 A4 189 TRP CG 21 -0.030000 12.0110 0 - 1682 A4 189 TRP CD2 26 0.100000 12.0110 0 - 1683 A4 189 TRP CE2 26 -0.040000 12.0110 0 - 1684 A4 189 TRP CE3 24 -0.030000 13.0190 0 - 1685 A4 189 TRP CD1 23 0.060000 13.0190 0 - 1686 A4 189 TRP NE1 34 -0.360000 14.0067 0 - 1687 A4 189 TRP HE1 1 0.300000 1.0080 0 - 1688 A4 189 TRP CZ2 24 0.000000 13.0190 0 - 1689 A4 189 TRP CZ3 24 0.000000 13.0190 0 - 1690 A4 189 TRP CH2 24 0.000000 13.0190 0 - 1691 A4 189 TRP C 14 0.600000 12.0110 0 - 1692 A4 189 TRP O 40 -0.550000 15.9994 0 - 1693 A4 190 TYR N 32 -0.400000 14.0067 0 - 1694 A4 190 TYR H 1 0.250000 1.0080 0 - 1695 A4 190 TYR CA 11 0.100000 13.0190 0 - 1696 A4 190 TYR CB 12 0.000000 14.0270 0 - 1697 A4 190 TYR CG 22 0.000000 12.0110 0 - 1698 A4 190 TYR CD1 24 0.000000 13.0190 0 - 1699 A4 190 TYR CE1 24 0.000000 13.0190 0 - 1700 A4 190 TYR CD2 24 0.000000 13.0190 0 - 1701 A4 190 TYR CE2 24 0.000000 13.0190 0 - 1702 A4 190 TYR CZ 22 0.250000 12.0110 0 - 1703 A4 190 TYR OH 45 -0.650000 15.9994 0 - 1704 A4 190 TYR HH 8 0.400000 1.0080 0 - 1705 A4 190 TYR C 14 0.600000 12.0110 0 - 1706 A4 190 TYR O 40 -0.550000 15.9994 0 - 1707 A4 191 THR N 32 -0.400000 14.0067 0 - 1708 A4 191 THR H 1 0.250000 1.0080 0 - 1709 A4 191 THR CA 11 0.100000 13.0190 0 - 1710 A4 191 THR CB 11 0.250000 13.0190 0 - 1711 A4 191 THR OG1 45 -0.650000 15.9994 0 - 1712 A4 191 THR HG1 8 0.400000 1.0080 0 - 1713 A4 191 THR CG2 13 0.000000 15.0350 0 - 1714 A4 191 THR C 14 0.600000 12.0110 0 - 1715 A4 191 THR O 40 -0.550000 15.9994 0 - 1716 A4 192 PRO N 33 -0.250000 14.0067 0 - 1717 A4 192 PRO CD 12 0.100000 14.0270 0 - 1718 A4 192 PRO CA 11 0.100000 13.0190 0 - 1719 A4 192 PRO CB 12 0.000000 14.0270 0 - 1720 A4 192 PRO CG 12 0.000000 14.0270 0 - 1721 A4 192 PRO C 14 0.600000 12.0110 0 - 1722 A4 192 PRO O 40 -0.550000 15.9994 0 - 1723 A4 193 ILE N 32 -0.400000 14.0067 0 - 1724 A4 193 ILE H 1 0.250000 1.0080 0 - 1725 A4 193 ILE CA 11 0.100000 13.0190 0 - 1726 A4 193 ILE CB 11 0.000000 13.0190 0 - 1727 A4 193 ILE CG2 13 0.000000 15.0350 0 - 1728 A4 193 ILE CG1 12 0.000000 14.0270 0 - 1729 A4 193 ILE CD1 13 0.000000 15.0350 0 - 1730 A4 193 ILE C 14 0.600000 12.0110 0 - 1731 A4 193 ILE O 40 -0.550000 15.9994 0 - 1732 A4 194 ARG N 32 -0.400000 14.0067 0 - 1733 A4 194 ARG H 1 0.250000 1.0080 0 - 1734 A4 194 ARG CA 11 0.100000 13.0190 0 - 1735 A4 194 ARG CB 12 0.000000 14.0270 0 - 1736 A4 194 ARG CG 12 0.000000 14.0270 0 - 1737 A4 194 ARG CD 12 0.100000 14.0270 0 - 1738 A4 194 ARG NE 32 -0.400000 14.0067 0 - 1739 A4 194 ARG HE 1 0.300000 1.0080 0 - 1740 A4 194 ARG CZ 14 0.500000 12.0110 0 - 1741 A4 194 ARG NH1 37 -0.450000 14.0067 0 - 1742 A4 194 ARG HH11 2 0.350000 1.0080 0 - 1743 A4 194 ARG HH12 2 0.350000 1.0080 0 - 1744 A4 194 ARG NH2 37 -0.450000 14.0067 0 - 1745 A4 194 ARG HH21 2 0.350000 1.0080 0 - 1746 A4 194 ARG HH22 2 0.350000 1.0080 0 - 1747 A4 194 ARG C 14 0.600000 12.0110 0 - 1748 A4 194 ARG O 40 -0.550000 15.9994 0 - 1749 A4 195 ARG N 32 -0.400000 14.0067 0 - 1750 A4 195 ARG H 1 0.250000 1.0080 0 - 1751 A4 195 ARG CA 11 0.100000 13.0190 0 - 1752 A4 195 ARG CB 12 0.000000 14.0270 0 - 1753 A4 195 ARG CG 12 0.000000 14.0270 0 - 1754 A4 195 ARG CD 12 0.100000 14.0270 0 - 1755 A4 195 ARG NE 32 -0.400000 14.0067 0 - 1756 A4 195 ARG HE 1 0.300000 1.0080 0 - 1757 A4 195 ARG CZ 14 0.500000 12.0110 0 - 1758 A4 195 ARG NH1 37 -0.450000 14.0067 0 - 1759 A4 195 ARG HH11 2 0.350000 1.0080 0 - 1760 A4 195 ARG HH12 2 0.350000 1.0080 0 - 1761 A4 195 ARG NH2 37 -0.450000 14.0067 0 - 1762 A4 195 ARG HH21 2 0.350000 1.0080 0 - 1763 A4 195 ARG HH22 2 0.350000 1.0080 0 - 1764 A4 195 ARG C 14 0.600000 12.0110 0 - 1765 A4 195 ARG O 40 -0.550000 15.9994 0 - 1766 A4 196 GLU N 32 -0.400000 14.0067 0 - 1767 A4 196 GLU H 1 0.250000 1.0080 0 - 1768 A4 196 GLU CA 11 0.100000 13.0190 0 - 1769 A4 196 GLU CB 12 0.000000 14.0270 0 - 1770 A4 196 GLU CG 12 0.000000 14.0270 0 - 1771 A4 196 GLU CD 14 0.140000 12.0110 0 - 1772 A4 196 GLU OE1 43 -0.570000 15.9994 0 - 1773 A4 196 GLU OE2 43 -0.570000 15.9994 0 - 1774 A4 196 GLU C 14 0.600000 12.0110 0 - 1775 A4 196 GLU O 40 -0.550000 15.9994 0 - 1776 A4 197 TRP N 32 -0.400000 14.0067 0 - 1777 A4 197 TRP H 1 0.250000 1.0080 0 - 1778 A4 197 TRP CA 11 0.100000 13.0190 0 - 1779 A4 197 TRP CB 12 0.000000 14.0270 0 - 1780 A4 197 TRP CG 21 -0.030000 12.0110 0 - 1781 A4 197 TRP CD2 26 0.100000 12.0110 0 - 1782 A4 197 TRP CE2 26 -0.040000 12.0110 0 - 1783 A4 197 TRP CE3 24 -0.030000 13.0190 0 - 1784 A4 197 TRP CD1 23 0.060000 13.0190 0 - 1785 A4 197 TRP NE1 34 -0.360000 14.0067 0 - 1786 A4 197 TRP HE1 1 0.300000 1.0080 0 - 1787 A4 197 TRP CZ2 24 0.000000 13.0190 0 - 1788 A4 197 TRP CZ3 24 0.000000 13.0190 0 - 1789 A4 197 TRP CH2 24 0.000000 13.0190 0 - 1790 A4 197 TRP C 14 0.600000 12.0110 0 - 1791 A4 197 TRP O 40 -0.550000 15.9994 0 - 1792 A4 198 TYR N 32 -0.400000 14.0067 0 - 1793 A4 198 TYR H 1 0.250000 1.0080 0 - 1794 A4 198 TYR CA 11 0.100000 13.0190 0 - 1795 A4 198 TYR CB 12 0.000000 14.0270 0 - 1796 A4 198 TYR CG 22 0.000000 12.0110 0 - 1797 A4 198 TYR CD1 24 0.000000 13.0190 0 - 1798 A4 198 TYR CE1 24 0.000000 13.0190 0 - 1799 A4 198 TYR CD2 24 0.000000 13.0190 0 - 1800 A4 198 TYR CE2 24 0.000000 13.0190 0 - 1801 A4 198 TYR CZ 22 0.250000 12.0110 0 - 1802 A4 198 TYR OH 45 -0.650000 15.9994 0 - 1803 A4 198 TYR HH 8 0.400000 1.0080 0 - 1804 A4 198 TYR C 14 0.600000 12.0110 0 - 1805 A4 198 TYR O 40 -0.550000 15.9994 0 - 1806 A4 199 TYR N 32 -0.400000 14.0067 0 - 1807 A4 199 TYR H 1 0.250000 1.0080 0 - 1808 A4 199 TYR CA 11 0.100000 13.0190 0 - 1809 A4 199 TYR CB 12 0.000000 14.0270 0 - 1810 A4 199 TYR CG 22 0.000000 12.0110 0 - 1811 A4 199 TYR CD1 24 0.000000 13.0190 0 - 1812 A4 199 TYR CE1 24 0.000000 13.0190 0 - 1813 A4 199 TYR CD2 24 0.000000 13.0190 0 - 1814 A4 199 TYR CE2 24 0.000000 13.0190 0 - 1815 A4 199 TYR CZ 22 0.250000 12.0110 0 - 1816 A4 199 TYR OH 45 -0.650000 15.9994 0 - 1817 A4 199 TYR HH 8 0.400000 1.0080 0 - 1818 A4 199 TYR C 14 0.600000 12.0110 0 - 1819 A4 199 TYR O 40 -0.550000 15.9994 0 - 1820 A4 200 GLU N 32 -0.400000 14.0067 0 - 1821 A4 200 GLU H 1 0.250000 1.0080 0 - 1822 A4 200 GLU CA 11 0.100000 13.0190 0 - 1823 A4 200 GLU CB 12 0.000000 14.0270 0 - 1824 A4 200 GLU CG 12 0.000000 14.0270 0 - 1825 A4 200 GLU CD 14 0.140000 12.0110 0 - 1826 A4 200 GLU OE1 43 -0.570000 15.9994 0 - 1827 A4 200 GLU OE2 43 -0.570000 15.9994 0 - 1828 A4 200 GLU C 14 0.600000 12.0110 0 - 1829 A4 200 GLU O 40 -0.550000 15.9994 0 - 1830 A4 201 VAL N 32 -0.400000 14.0067 0 - 1831 A4 201 VAL H 1 0.250000 1.0080 0 - 1832 A4 201 VAL CA 11 0.100000 13.0190 0 - 1833 A4 201 VAL CB 11 0.000000 13.0190 0 - 1834 A4 201 VAL CG1 13 0.000000 15.0350 0 - 1835 A4 201 VAL CG2 13 0.000000 15.0350 0 - 1836 A4 201 VAL C 14 0.600000 12.0110 0 - 1837 A4 201 VAL O 40 -0.550000 15.9994 0 - 1838 A4 202 ILE N 32 -0.400000 14.0067 0 - 1839 A4 202 ILE H 1 0.250000 1.0080 0 - 1840 A4 202 ILE CA 11 0.100000 13.0190 0 - 1841 A4 202 ILE CB 11 0.000000 13.0190 0 - 1842 A4 202 ILE CG2 13 0.000000 15.0350 0 - 1843 A4 202 ILE CG1 12 0.000000 14.0270 0 - 1844 A4 202 ILE CD1 13 0.000000 15.0350 0 - 1845 A4 202 ILE C 14 0.600000 12.0110 0 - 1846 A4 202 ILE O 40 -0.550000 15.9994 0 - 1847 A4 203 ILE N 32 -0.400000 14.0067 0 - 1848 A4 203 ILE H 1 0.250000 1.0080 0 - 1849 A4 203 ILE CA 11 0.100000 13.0190 0 - 1850 A4 203 ILE CB 11 0.000000 13.0190 0 - 1851 A4 203 ILE CG2 13 0.000000 15.0350 0 - 1852 A4 203 ILE CG1 12 0.000000 14.0270 0 - 1853 A4 203 ILE CD1 13 0.000000 15.0350 0 - 1854 A4 203 ILE C 14 0.600000 12.0110 0 - 1855 A4 203 ILE O 40 -0.550000 15.9994 0 - 1856 A4 204 VAL N 32 -0.400000 14.0067 0 - 1857 A4 204 VAL H 1 0.250000 1.0080 0 - 1858 A4 204 VAL CA 11 0.100000 13.0190 0 - 1859 A4 204 VAL CB 11 0.000000 13.0190 0 - 1860 A4 204 VAL CG1 13 0.000000 15.0350 0 - 1861 A4 204 VAL CG2 13 0.000000 15.0350 0 - 1862 A4 204 VAL C 14 0.600000 12.0110 0 - 1863 A4 204 VAL O 40 -0.550000 15.9994 0 - 1864 A4 205 ARG N 32 -0.400000 14.0067 0 - 1865 A4 205 ARG H 1 0.250000 1.0080 0 - 1866 A4 205 ARG CA 11 0.100000 13.0190 0 - 1867 A4 205 ARG CB 12 0.000000 14.0270 0 - 1868 A4 205 ARG CG 12 0.000000 14.0270 0 - 1869 A4 205 ARG CD 12 0.100000 14.0270 0 - 1870 A4 205 ARG NE 32 -0.400000 14.0067 0 - 1871 A4 205 ARG HE 1 0.300000 1.0080 0 - 1872 A4 205 ARG CZ 14 0.500000 12.0110 0 - 1873 A4 205 ARG NH1 37 -0.450000 14.0067 0 - 1874 A4 205 ARG HH11 2 0.350000 1.0080 0 - 1875 A4 205 ARG HH12 2 0.350000 1.0080 0 - 1876 A4 205 ARG NH2 37 -0.450000 14.0067 0 - 1877 A4 205 ARG HH21 2 0.350000 1.0080 0 - 1878 A4 205 ARG HH22 2 0.350000 1.0080 0 - 1879 A4 205 ARG C 14 0.600000 12.0110 0 - 1880 A4 205 ARG O 40 -0.550000 15.9994 0 - 1881 A4 206 VAL N 32 -0.400000 14.0067 0 - 1882 A4 206 VAL H 1 0.250000 1.0080 0 - 1883 A4 206 VAL CA 11 0.100000 13.0190 0 - 1884 A4 206 VAL CB 11 0.000000 13.0190 0 - 1885 A4 206 VAL CG1 13 0.000000 15.0350 0 - 1886 A4 206 VAL CG2 13 0.000000 15.0350 0 - 1887 A4 206 VAL C 14 0.600000 12.0110 0 - 1888 A4 206 VAL O 40 -0.550000 15.9994 0 - 1889 A4 207 GLU N 32 -0.400000 14.0067 0 - 1890 A4 207 GLU H 1 0.250000 1.0080 0 - 1891 A4 207 GLU CA 11 0.100000 13.0190 0 - 1892 A4 207 GLU CB 12 0.000000 14.0270 0 - 1893 A4 207 GLU CG 12 0.000000 14.0270 0 - 1894 A4 207 GLU CD 14 0.140000 12.0110 0 - 1895 A4 207 GLU OE1 43 -0.570000 15.9994 0 - 1896 A4 207 GLU OE2 43 -0.570000 15.9994 0 - 1897 A4 207 GLU C 14 0.600000 12.0110 0 - 1898 A4 207 GLU O 40 -0.550000 15.9994 0 - 1899 A4 208 ILE N 32 -0.400000 14.0067 0 - 1900 A4 208 ILE H 1 0.250000 1.0080 0 - 1901 A4 208 ILE CA 11 0.100000 13.0190 0 - 1902 A4 208 ILE CB 11 0.000000 13.0190 0 - 1903 A4 208 ILE CG2 13 0.000000 15.0350 0 - 1904 A4 208 ILE CG1 12 0.000000 14.0270 0 - 1905 A4 208 ILE CD1 13 0.000000 15.0350 0 - 1906 A4 208 ILE C 14 0.600000 12.0110 0 - 1907 A4 208 ILE O 40 -0.550000 15.9994 0 - 1908 A4 209 ASN N 32 -0.400000 14.0067 0 - 1909 A4 209 ASN H 1 0.250000 1.0080 0 - 1910 A4 209 ASN CA 11 0.100000 13.0190 0 - 1911 A4 209 ASN CB 12 0.000000 14.0270 0 - 1912 A4 209 ASN CG 14 0.550000 12.0110 0 - 1913 A4 209 ASN OD1 40 -0.550000 15.9994 0 - 1914 A4 209 ASN ND2 32 -0.600000 14.0067 0 - 1915 A4 209 ASN HD21 1 0.300000 1.0080 0 - 1916 A4 209 ASN HD22 1 0.300000 1.0080 0 - 1917 A4 209 ASN C 14 0.600000 12.0110 0 - 1918 A4 209 ASN O 40 -0.550000 15.9994 0 - 1919 A4 210 GLY N 32 -0.400000 14.0067 0 - 1920 A4 210 GLY H 1 0.250000 1.0080 0 - 1921 A4 210 GLY CA 12 0.100000 14.0270 0 - 1922 A4 210 GLY C 14 0.600000 12.0110 0 - 1923 A4 210 GLY O 40 -0.550000 15.9994 0 - 1924 A4 211 GLN N 32 -0.400000 14.0067 0 - 1925 A4 211 GLN H 1 0.250000 1.0080 0 - 1926 A4 211 GLN CA 11 0.100000 13.0190 0 - 1927 A4 211 GLN CB 12 0.000000 14.0270 0 - 1928 A4 211 GLN CG 12 0.000000 14.0270 0 - 1929 A4 211 GLN CD 14 0.550000 12.0110 0 - 1930 A4 211 GLN OE1 40 -0.550000 15.9994 0 - 1931 A4 211 GLN NE2 32 -0.600000 14.0067 0 - 1932 A4 211 GLN HE21 1 0.300000 1.0080 0 - 1933 A4 211 GLN HE22 1 0.300000 1.0080 0 - 1934 A4 211 GLN C 14 0.600000 12.0110 0 - 1935 A4 211 GLN O 40 -0.550000 15.9994 0 - 1936 A4 212 ASP N 32 -0.400000 14.0067 0 - 1937 A4 212 ASP H 1 0.250000 1.0080 0 - 1938 A4 212 ASP CA 11 0.100000 13.0190 0 - 1939 A4 212 ASP CB 12 0.000000 14.0270 0 - 1940 A4 212 ASP CG 14 0.140000 12.0110 0 - 1941 A4 212 ASP OD1 43 -0.570000 15.9994 0 - 1942 A4 212 ASP OD2 43 -0.570000 15.9994 0 - 1943 A4 212 ASP C 14 0.600000 12.0110 0 - 1944 A4 212 ASP O 40 -0.550000 15.9994 0 - 1945 A4 213 LEU N 32 -0.400000 14.0067 0 - 1946 A4 213 LEU H 1 0.250000 1.0080 0 - 1947 A4 213 LEU CA 11 0.100000 13.0190 0 - 1948 A4 213 LEU CB 12 0.000000 14.0270 0 - 1949 A4 213 LEU CG 11 0.000000 13.0190 0 - 1950 A4 213 LEU CD1 13 0.000000 15.0350 0 - 1951 A4 213 LEU CD2 13 0.000000 15.0350 0 - 1952 A4 213 LEU C 14 0.600000 12.0110 0 - 1953 A4 213 LEU O 40 -0.550000 15.9994 0 - 1954 A4 214 LYS N 32 -0.400000 14.0067 0 - 1955 A4 214 LYS H 1 0.250000 1.0080 0 - 1956 A4 214 LYS CA 11 0.100000 13.0190 0 - 1957 A4 214 LYS CB 12 0.000000 14.0270 0 - 1958 A4 214 LYS CG 12 0.000000 14.0270 0 - 1959 A4 214 LYS CD 12 0.000000 14.0270 0 - 1960 A4 214 LYS CE 12 0.250000 14.0270 0 - 1961 A4 214 LYS NZ 36 -0.300000 14.0067 0 - 1962 A4 214 LYS HZ1 2 0.350000 1.0080 0 - 1963 A4 214 LYS HZ2 2 0.350000 1.0080 0 - 1964 A4 214 LYS HZ3 2 0.350000 1.0080 0 - 1965 A4 214 LYS C 14 0.600000 12.0110 0 - 1966 A4 214 LYS O 40 -0.550000 15.9994 0 - 1967 A4 215 MET N 32 -0.400000 14.0067 0 - 1968 A4 215 MET H 1 0.250000 1.0080 0 - 1969 A4 215 MET CA 11 0.100000 13.0190 0 - 1970 A4 215 MET CB 12 0.000000 14.0270 0 - 1971 A4 215 MET CG 12 0.060000 14.0270 0 - 1972 A4 215 MET SD 74 -0.120000 32.0600 0 - 1973 A4 215 MET CE 13 0.060000 15.0350 0 - 1974 A4 215 MET C 14 0.600000 12.0110 0 - 1975 A4 215 MET O 40 -0.550000 15.9994 0 - 1976 A4 216 ASP N 32 -0.400000 14.0067 0 - 1977 A4 216 ASP H 1 0.250000 1.0080 0 - 1978 A4 216 ASP CA 11 0.100000 13.0190 0 - 1979 A4 216 ASP CB 12 0.000000 14.0270 0 - 1980 A4 216 ASP CG 14 0.140000 12.0110 0 - 1981 A4 216 ASP OD1 43 -0.570000 15.9994 0 - 1982 A4 216 ASP OD2 43 -0.570000 15.9994 0 - 1983 A4 216 ASP C 14 0.600000 12.0110 0 - 1984 A4 216 ASP O 40 -0.550000 15.9994 0 - 1985 A4 217 CYS N 32 -0.400000 14.0067 0 - 1986 A4 217 CYS H 1 0.250000 1.0080 0 - 1987 A4 217 CYS CA 11 0.100000 13.0190 0 - 1988 A4 217 CYS CB 12 0.190000 14.0270 0 - 1989 A4 217 CYS SG 70 -0.190000 32.0600 0 - 1990 A4 217 CYS C 14 0.600000 12.0110 0 - 1991 A4 217 CYS O 40 -0.550000 15.9994 0 - 1992 A4 218 LYS N 32 -0.400000 14.0067 0 - 1993 A4 218 LYS H 1 0.250000 1.0080 0 - 1994 A4 218 LYS CA 11 0.100000 13.0190 0 - 1995 A4 218 LYS CB 12 0.000000 14.0270 0 - 1996 A4 218 LYS CG 12 0.000000 14.0270 0 - 1997 A4 218 LYS CD 12 0.000000 14.0270 0 - 1998 A4 218 LYS CE 12 0.250000 14.0270 0 - 1999 A4 218 LYS NZ 36 -0.300000 14.0067 0 - 2000 A4 218 LYS HZ1 2 0.350000 1.0080 0 - 2001 A4 218 LYS HZ2 2 0.350000 1.0080 0 - 2002 A4 218 LYS HZ3 2 0.350000 1.0080 0 - 2003 A4 218 LYS C 14 0.600000 12.0110 0 - 2004 A4 218 LYS O 40 -0.550000 15.9994 0 - 2005 A4 219 GLU N 32 -0.400000 14.0067 0 - 2006 A4 219 GLU H 1 0.250000 1.0080 0 - 2007 A4 219 GLU CA 11 0.100000 13.0190 0 - 2008 A4 219 GLU CB 12 0.000000 14.0270 0 - 2009 A4 219 GLU CG 12 0.000000 14.0270 0 - 2010 A4 219 GLU CD 14 0.140000 12.0110 0 - 2011 A4 219 GLU OE1 43 -0.570000 15.9994 0 - 2012 A4 219 GLU OE2 43 -0.570000 15.9994 0 - 2013 A4 219 GLU C 14 0.600000 12.0110 0 - 2014 A4 219 GLU O 40 -0.550000 15.9994 0 - 2015 A4 220 TYR N 32 -0.400000 14.0067 0 - 2016 A4 220 TYR H 1 0.250000 1.0080 0 - 2017 A4 220 TYR CA 11 0.100000 13.0190 0 - 2018 A4 220 TYR CB 12 0.000000 14.0270 0 - 2019 A4 220 TYR CG 22 0.000000 12.0110 0 - 2020 A4 220 TYR CD1 24 0.000000 13.0190 0 - 2021 A4 220 TYR CE1 24 0.000000 13.0190 0 - 2022 A4 220 TYR CD2 24 0.000000 13.0190 0 - 2023 A4 220 TYR CE2 24 0.000000 13.0190 0 - 2024 A4 220 TYR CZ 22 0.250000 12.0110 0 - 2025 A4 220 TYR OH 45 -0.650000 15.9994 0 - 2026 A4 220 TYR HH 8 0.400000 1.0080 0 - 2027 A4 220 TYR C 14 0.600000 12.0110 0 - 2028 A4 220 TYR O 40 -0.550000 15.9994 0 - 2029 A4 221 ASN N 32 -0.400000 14.0067 0 - 2030 A4 221 ASN H 1 0.250000 1.0080 0 - 2031 A4 221 ASN CA 11 0.100000 13.0190 0 - 2032 A4 221 ASN CB 12 0.000000 14.0270 0 - 2033 A4 221 ASN CG 14 0.550000 12.0110 0 - 2034 A4 221 ASN OD1 40 -0.550000 15.9994 0 - 2035 A4 221 ASN ND2 32 -0.600000 14.0067 0 - 2036 A4 221 ASN HD21 1 0.300000 1.0080 0 - 2037 A4 221 ASN HD22 1 0.300000 1.0080 0 - 2038 A4 221 ASN C 14 0.600000 12.0110 0 - 2039 A4 221 ASN O 40 -0.550000 15.9994 0 - 2040 A4 222 TYR N 32 -0.400000 14.0067 0 - 2041 A4 222 TYR H 1 0.250000 1.0080 0 - 2042 A4 222 TYR CA 11 0.100000 13.0190 0 - 2043 A4 222 TYR CB 12 0.000000 14.0270 0 - 2044 A4 222 TYR CG 22 0.000000 12.0110 0 - 2045 A4 222 TYR CD1 24 0.000000 13.0190 0 - 2046 A4 222 TYR CE1 24 0.000000 13.0190 0 - 2047 A4 222 TYR CD2 24 0.000000 13.0190 0 - 2048 A4 222 TYR CE2 24 0.000000 13.0190 0 - 2049 A4 222 TYR CZ 22 0.250000 12.0110 0 - 2050 A4 222 TYR OH 45 -0.650000 15.9994 0 - 2051 A4 222 TYR HH 8 0.400000 1.0080 0 - 2052 A4 222 TYR C 14 0.600000 12.0110 0 - 2053 A4 222 TYR O 40 -0.550000 15.9994 0 - 2054 A4 223 ASP N 32 -0.400000 14.0067 0 - 2055 A4 223 ASP H 1 0.250000 1.0080 0 - 2056 A4 223 ASP CA 11 0.100000 13.0190 0 - 2057 A4 223 ASP CB 12 0.000000 14.0270 0 - 2058 A4 223 ASP CG 14 0.140000 12.0110 0 - 2059 A4 223 ASP OD1 43 -0.570000 15.9994 0 - 2060 A4 223 ASP OD2 43 -0.570000 15.9994 0 - 2061 A4 223 ASP C 14 0.600000 12.0110 0 - 2062 A4 223 ASP O 40 -0.550000 15.9994 0 - 2063 A4 224 LYS N 32 -0.400000 14.0067 0 - 2064 A4 224 LYS H 1 0.250000 1.0080 0 - 2065 A4 224 LYS CA 11 0.100000 13.0190 0 - 2066 A4 224 LYS CB 12 0.000000 14.0270 0 - 2067 A4 224 LYS CG 12 0.000000 14.0270 0 - 2068 A4 224 LYS CD 12 0.000000 14.0270 0 - 2069 A4 224 LYS CE 12 0.250000 14.0270 0 - 2070 A4 224 LYS NZ 36 -0.300000 14.0067 0 - 2071 A4 224 LYS HZ1 2 0.350000 1.0080 0 - 2072 A4 224 LYS HZ2 2 0.350000 1.0080 0 - 2073 A4 224 LYS HZ3 2 0.350000 1.0080 0 - 2074 A4 224 LYS C 14 0.600000 12.0110 0 - 2075 A4 224 LYS O 40 -0.550000 15.9994 0 - 2076 A4 225 SER N 32 -0.400000 14.0067 0 - 2077 A4 225 SER H 1 0.250000 1.0080 0 - 2078 A4 225 SER CA 11 0.100000 13.0190 0 - 2079 A4 225 SER CB 12 0.250000 14.0270 0 - 2080 A4 225 SER OG 45 -0.650000 15.9994 0 - 2081 A4 225 SER HG 8 0.400000 1.0080 0 - 2082 A4 225 SER C 14 0.600000 12.0110 0 - 2083 A4 225 SER O 40 -0.550000 15.9994 0 - 2084 A4 226 ILE N 32 -0.400000 14.0067 0 - 2085 A4 226 ILE H 1 0.250000 1.0080 0 - 2086 A4 226 ILE CA 11 0.100000 13.0190 0 - 2087 A4 226 ILE CB 11 0.000000 13.0190 0 - 2088 A4 226 ILE CG2 13 0.000000 15.0350 0 - 2089 A4 226 ILE CG1 12 0.000000 14.0270 0 - 2090 A4 226 ILE CD1 13 0.000000 15.0350 0 - 2091 A4 226 ILE C 14 0.600000 12.0110 0 - 2092 A4 226 ILE O 40 -0.550000 15.9994 0 - 2093 A4 227 VAL N 32 -0.400000 14.0067 0 - 2094 A4 227 VAL H 1 0.250000 1.0080 0 - 2095 A4 227 VAL CA 11 0.100000 13.0190 0 - 2096 A4 227 VAL CB 11 0.000000 13.0190 0 - 2097 A4 227 VAL CG1 13 0.000000 15.0350 0 - 2098 A4 227 VAL CG2 13 0.000000 15.0350 0 - 2099 A4 227 VAL C 14 0.600000 12.0110 0 - 2100 A4 227 VAL O 40 -0.550000 15.9994 0 - 2101 A4 228 ASP N 32 -0.400000 14.0067 0 - 2102 A4 228 ASP H 1 0.250000 1.0080 0 - 2103 A4 228 ASP CA 11 0.100000 13.0190 0 - 2104 A4 228 ASP CB 12 0.000000 14.0270 0 - 2105 A4 228 ASP CG 14 0.140000 12.0110 0 - 2106 A4 228 ASP OD1 43 -0.570000 15.9994 0 - 2107 A4 228 ASP OD2 43 -0.570000 15.9994 0 - 2108 A4 228 ASP C 14 0.600000 12.0110 0 - 2109 A4 228 ASP O 40 -0.550000 15.9994 0 - 2110 A4 229 SER N 32 -0.400000 14.0067 0 - 2111 A4 229 SER H 1 0.250000 1.0080 0 - 2112 A4 229 SER CA 11 0.100000 13.0190 0 - 2113 A4 229 SER CB 12 0.250000 14.0270 0 - 2114 A4 229 SER OG 45 -0.650000 15.9994 0 - 2115 A4 229 SER HG 8 0.400000 1.0080 0 - 2116 A4 229 SER C 14 0.600000 12.0110 0 - 2117 A4 229 SER O 40 -0.550000 15.9994 0 - 2118 A4 230 GLY N 32 -0.400000 14.0067 0 - 2119 A4 230 GLY H 1 0.250000 1.0080 0 - 2120 A4 230 GLY CA 12 0.100000 14.0270 0 - 2121 A4 230 GLY C 14 0.600000 12.0110 0 - 2122 A4 230 GLY O 40 -0.550000 15.9994 0 - 2123 A4 231 THR N 32 -0.400000 14.0067 0 - 2124 A4 231 THR H 1 0.250000 1.0080 0 - 2125 A4 231 THR CA 11 0.100000 13.0190 0 - 2126 A4 231 THR CB 11 0.250000 13.0190 0 - 2127 A4 231 THR OG1 45 -0.650000 15.9994 0 - 2128 A4 231 THR HG1 8 0.400000 1.0080 0 - 2129 A4 231 THR CG2 13 0.000000 15.0350 0 - 2130 A4 231 THR C 14 0.600000 12.0110 0 - 2131 A4 231 THR O 40 -0.550000 15.9994 0 - 2132 A4 232 THR N 32 -0.400000 14.0067 0 - 2133 A4 232 THR H 1 0.250000 1.0080 0 - 2134 A4 232 THR CA 11 0.100000 13.0190 0 - 2135 A4 232 THR CB 11 0.250000 13.0190 0 - 2136 A4 232 THR OG1 45 -0.650000 15.9994 0 - 2137 A4 232 THR HG1 8 0.400000 1.0080 0 - 2138 A4 232 THR CG2 13 0.000000 15.0350 0 - 2139 A4 232 THR C 14 0.600000 12.0110 0 - 2140 A4 232 THR O 40 -0.550000 15.9994 0 - 2141 A4 233 ASN N 32 -0.400000 14.0067 0 - 2142 A4 233 ASN H 1 0.250000 1.0080 0 - 2143 A4 233 ASN CA 11 0.100000 13.0190 0 - 2144 A4 233 ASN CB 12 0.000000 14.0270 0 - 2145 A4 233 ASN CG 14 0.550000 12.0110 0 - 2146 A4 233 ASN OD1 40 -0.550000 15.9994 0 - 2147 A4 233 ASN ND2 32 -0.600000 14.0067 0 - 2148 A4 233 ASN HD21 1 0.300000 1.0080 0 - 2149 A4 233 ASN HD22 1 0.300000 1.0080 0 - 2150 A4 233 ASN C 14 0.600000 12.0110 0 - 2151 A4 233 ASN O 40 -0.550000 15.9994 0 - 2152 A4 234 LEU N 32 -0.400000 14.0067 0 - 2153 A4 234 LEU H 1 0.250000 1.0080 0 - 2154 A4 234 LEU CA 11 0.100000 13.0190 0 - 2155 A4 234 LEU CB 12 0.000000 14.0270 0 - 2156 A4 234 LEU CG 11 0.000000 13.0190 0 - 2157 A4 234 LEU CD1 13 0.000000 15.0350 0 - 2158 A4 234 LEU CD2 13 0.000000 15.0350 0 - 2159 A4 234 LEU C 14 0.600000 12.0110 0 - 2160 A4 234 LEU O 40 -0.550000 15.9994 0 - 2161 A4 235 ARG N 32 -0.400000 14.0067 0 - 2162 A4 235 ARG H 1 0.250000 1.0080 0 - 2163 A4 235 ARG CA 11 0.100000 13.0190 0 - 2164 A4 235 ARG CB 12 0.000000 14.0270 0 - 2165 A4 235 ARG CG 12 0.000000 14.0270 0 - 2166 A4 235 ARG CD 12 0.100000 14.0270 0 - 2167 A4 235 ARG NE 32 -0.400000 14.0067 0 - 2168 A4 235 ARG HE 1 0.300000 1.0080 0 - 2169 A4 235 ARG CZ 14 0.500000 12.0110 0 - 2170 A4 235 ARG NH1 37 -0.450000 14.0067 0 - 2171 A4 235 ARG HH11 2 0.350000 1.0080 0 - 2172 A4 235 ARG HH12 2 0.350000 1.0080 0 - 2173 A4 235 ARG NH2 37 -0.450000 14.0067 0 - 2174 A4 235 ARG HH21 2 0.350000 1.0080 0 - 2175 A4 235 ARG HH22 2 0.350000 1.0080 0 - 2176 A4 235 ARG C 14 0.600000 12.0110 0 - 2177 A4 235 ARG O 40 -0.550000 15.9994 0 - 2178 A4 236 LEU N 32 -0.400000 14.0067 0 - 2179 A4 236 LEU H 1 0.250000 1.0080 0 - 2180 A4 236 LEU CA 11 0.100000 13.0190 0 - 2181 A4 236 LEU CB 12 0.000000 14.0270 0 - 2182 A4 236 LEU CG 11 0.000000 13.0190 0 - 2183 A4 236 LEU CD1 13 0.000000 15.0350 0 - 2184 A4 236 LEU CD2 13 0.000000 15.0350 0 - 2185 A4 236 LEU C 14 0.600000 12.0110 0 - 2186 A4 236 LEU O 40 -0.550000 15.9994 0 - 2187 A4 237 PRO N 33 -0.250000 14.0067 0 - 2188 A4 237 PRO CD 12 0.100000 14.0270 0 - 2189 A4 237 PRO CA 11 0.100000 13.0190 0 - 2190 A4 237 PRO CB 12 0.000000 14.0270 0 - 2191 A4 237 PRO CG 12 0.000000 14.0270 0 - 2192 A4 237 PRO C 14 0.600000 12.0110 0 - 2193 A4 237 PRO O 40 -0.550000 15.9994 0 - 2194 A4 238 LYS N 32 -0.400000 14.0067 0 - 2195 A4 238 LYS H 1 0.250000 1.0080 0 - 2196 A4 238 LYS CA 11 0.100000 13.0190 0 - 2197 A4 238 LYS CB 12 0.000000 14.0270 0 - 2198 A4 238 LYS CG 12 0.000000 14.0270 0 - 2199 A4 238 LYS CD 12 0.000000 14.0270 0 - 2200 A4 238 LYS CE 12 0.250000 14.0270 0 - 2201 A4 238 LYS NZ 36 -0.300000 14.0067 0 - 2202 A4 238 LYS HZ1 2 0.350000 1.0080 0 - 2203 A4 238 LYS HZ2 2 0.350000 1.0080 0 - 2204 A4 238 LYS HZ3 2 0.350000 1.0080 0 - 2205 A4 238 LYS C 14 0.600000 12.0110 0 - 2206 A4 238 LYS O 40 -0.550000 15.9994 0 - 2207 A4 239 LYS N 32 -0.400000 14.0067 0 - 2208 A4 239 LYS H 1 0.250000 1.0080 0 - 2209 A4 239 LYS CA 11 0.100000 13.0190 0 - 2210 A4 239 LYS CB 12 0.000000 14.0270 0 - 2211 A4 239 LYS CG 12 0.000000 14.0270 0 - 2212 A4 239 LYS CD 12 0.000000 14.0270 0 - 2213 A4 239 LYS CE 12 0.250000 14.0270 0 - 2214 A4 239 LYS NZ 36 -0.300000 14.0067 0 - 2215 A4 239 LYS HZ1 2 0.350000 1.0080 0 - 2216 A4 239 LYS HZ2 2 0.350000 1.0080 0 - 2217 A4 239 LYS HZ3 2 0.350000 1.0080 0 - 2218 A4 239 LYS C 14 0.600000 12.0110 0 - 2219 A4 239 LYS O 40 -0.550000 15.9994 0 - 2220 A4 240 VAL N 32 -0.400000 14.0067 0 - 2221 A4 240 VAL H 1 0.250000 1.0080 0 - 2222 A4 240 VAL CA 11 0.100000 13.0190 0 - 2223 A4 240 VAL CB 11 0.000000 13.0190 0 - 2224 A4 240 VAL CG1 13 0.000000 15.0350 0 - 2225 A4 240 VAL CG2 13 0.000000 15.0350 0 - 2226 A4 240 VAL C 14 0.600000 12.0110 0 - 2227 A4 240 VAL O 40 -0.550000 15.9994 0 - 2228 A4 241 PHE N 32 -0.400000 14.0067 0 - 2229 A4 241 PHE H 1 0.250000 1.0080 0 - 2230 A4 241 PHE CA 11 0.100000 13.0190 0 - 2231 A4 241 PHE CB 12 0.000000 14.0270 0 - 2232 A4 241 PHE CG 22 0.000000 12.0110 0 - 2233 A4 241 PHE CD1 24 0.000000 13.0190 0 - 2234 A4 241 PHE CD2 24 0.000000 13.0190 0 - 2235 A4 241 PHE CE1 24 0.000000 13.0190 0 - 2236 A4 241 PHE CE2 24 0.000000 13.0190 0 - 2237 A4 241 PHE CZ 24 0.000000 13.0190 0 - 2238 A4 241 PHE C 14 0.600000 12.0110 0 - 2239 A4 241 PHE O 40 -0.550000 15.9994 0 - 2240 A4 242 GLU N 32 -0.400000 14.0067 0 - 2241 A4 242 GLU H 1 0.250000 1.0080 0 - 2242 A4 242 GLU CA 11 0.100000 13.0190 0 - 2243 A4 242 GLU CB 12 0.000000 14.0270 0 - 2244 A4 242 GLU CG 12 0.000000 14.0270 0 - 2245 A4 242 GLU CD 14 0.140000 12.0110 0 - 2246 A4 242 GLU OE1 43 -0.570000 15.9994 0 - 2247 A4 242 GLU OE2 43 -0.570000 15.9994 0 - 2248 A4 242 GLU C 14 0.600000 12.0110 0 - 2249 A4 242 GLU O 40 -0.550000 15.9994 0 - 2250 A4 243 ALA N 32 -0.400000 14.0067 0 - 2251 A4 243 ALA H 1 0.250000 1.0080 0 - 2252 A4 243 ALA CA 11 0.100000 13.0190 0 - 2253 A4 243 ALA CB 13 0.000000 15.0350 0 - 2254 A4 243 ALA C 14 0.600000 12.0110 0 - 2255 A4 243 ALA O 40 -0.550000 15.9994 0 - 2256 A4 244 ALA N 32 -0.400000 14.0067 0 - 2257 A4 244 ALA H 1 0.250000 1.0080 0 - 2258 A4 244 ALA CA 11 0.100000 13.0190 0 - 2259 A4 244 ALA CB 13 0.000000 15.0350 0 - 2260 A4 244 ALA C 14 0.600000 12.0110 0 - 2261 A4 244 ALA O 40 -0.550000 15.9994 0 - 2262 A4 245 VAL N 32 -0.400000 14.0067 0 - 2263 A4 245 VAL H 1 0.250000 1.0080 0 - 2264 A4 245 VAL CA 11 0.100000 13.0190 0 - 2265 A4 245 VAL CB 11 0.000000 13.0190 0 - 2266 A4 245 VAL CG1 13 0.000000 15.0350 0 - 2267 A4 245 VAL CG2 13 0.000000 15.0350 0 - 2268 A4 245 VAL C 14 0.600000 12.0110 0 - 2269 A4 245 VAL O 40 -0.550000 15.9994 0 - 2270 A4 246 LYS N 32 -0.400000 14.0067 0 - 2271 A4 246 LYS H 1 0.250000 1.0080 0 - 2272 A4 246 LYS CA 11 0.100000 13.0190 0 - 2273 A4 246 LYS CB 12 0.000000 14.0270 0 - 2274 A4 246 LYS CG 12 0.000000 14.0270 0 - 2275 A4 246 LYS CD 12 0.000000 14.0270 0 - 2276 A4 246 LYS CE 12 0.250000 14.0270 0 - 2277 A4 246 LYS NZ 36 -0.300000 14.0067 0 - 2278 A4 246 LYS HZ1 2 0.350000 1.0080 0 - 2279 A4 246 LYS HZ2 2 0.350000 1.0080 0 - 2280 A4 246 LYS HZ3 2 0.350000 1.0080 0 - 2281 A4 246 LYS C 14 0.600000 12.0110 0 - 2282 A4 246 LYS O 40 -0.550000 15.9994 0 - 2283 A4 247 SER N 32 -0.400000 14.0067 0 - 2284 A4 247 SER H 1 0.250000 1.0080 0 - 2285 A4 247 SER CA 11 0.100000 13.0190 0 - 2286 A4 247 SER CB 12 0.250000 14.0270 0 - 2287 A4 247 SER OG 45 -0.650000 15.9994 0 - 2288 A4 247 SER HG 8 0.400000 1.0080 0 - 2289 A4 247 SER C 14 0.600000 12.0110 0 - 2290 A4 247 SER O 40 -0.550000 15.9994 0 - 2291 A4 248 ILE N 32 -0.400000 14.0067 0 - 2292 A4 248 ILE H 1 0.250000 1.0080 0 - 2293 A4 248 ILE CA 11 0.100000 13.0190 0 - 2294 A4 248 ILE CB 11 0.000000 13.0190 0 - 2295 A4 248 ILE CG2 13 0.000000 15.0350 0 - 2296 A4 248 ILE CG1 12 0.000000 14.0270 0 - 2297 A4 248 ILE CD1 13 0.000000 15.0350 0 - 2298 A4 248 ILE C 14 0.600000 12.0110 0 - 2299 A4 248 ILE O 40 -0.550000 15.9994 0 - 2300 A4 249 LYS N 32 -0.400000 14.0067 0 - 2301 A4 249 LYS H 1 0.250000 1.0080 0 - 2302 A4 249 LYS CA 11 0.100000 13.0190 0 - 2303 A4 249 LYS CB 12 0.000000 14.0270 0 - 2304 A4 249 LYS CG 12 0.000000 14.0270 0 - 2305 A4 249 LYS CD 12 0.000000 14.0270 0 - 2306 A4 249 LYS CE 12 0.250000 14.0270 0 - 2307 A4 249 LYS NZ 36 -0.300000 14.0067 0 - 2308 A4 249 LYS HZ1 2 0.350000 1.0080 0 - 2309 A4 249 LYS HZ2 2 0.350000 1.0080 0 - 2310 A4 249 LYS HZ3 2 0.350000 1.0080 0 - 2311 A4 249 LYS C 14 0.600000 12.0110 0 - 2312 A4 249 LYS O 40 -0.550000 15.9994 0 - 2313 A4 250 ALA N 32 -0.400000 14.0067 0 - 2314 A4 250 ALA H 1 0.250000 1.0080 0 - 2315 A4 250 ALA CA 11 0.100000 13.0190 0 - 2316 A4 250 ALA CB 13 0.000000 15.0350 0 - 2317 A4 250 ALA C 14 0.600000 12.0110 0 - 2318 A4 250 ALA O 40 -0.550000 15.9994 0 - 2319 A4 251 ALA N 32 -0.400000 14.0067 0 - 2320 A4 251 ALA H 1 0.250000 1.0080 0 - 2321 A4 251 ALA CA 11 0.100000 13.0190 0 - 2322 A4 251 ALA CB 13 0.000000 15.0350 0 - 2323 A4 251 ALA C 14 0.600000 12.0110 0 - 2324 A4 251 ALA O 40 -0.550000 15.9994 0 - 2325 A4 252 SER N 32 -0.400000 14.0067 0 - 2326 A4 252 SER H 1 0.250000 1.0080 0 - 2327 A4 252 SER CA 11 0.100000 13.0190 0 - 2328 A4 252 SER CB 12 0.250000 14.0270 0 - 2329 A4 252 SER OG 45 -0.650000 15.9994 0 - 2330 A4 252 SER HG 8 0.400000 1.0080 0 - 2331 A4 252 SER C 14 0.600000 12.0110 0 - 2332 A4 252 SER O 40 -0.550000 15.9994 0 - 2333 A4 253 SER N 32 -0.400000 14.0067 0 - 2334 A4 253 SER H 1 0.250000 1.0080 0 - 2335 A4 253 SER CA 11 0.100000 13.0190 0 - 2336 A4 253 SER CB 12 0.250000 14.0270 0 - 2337 A4 253 SER OG 45 -0.650000 15.9994 0 - 2338 A4 253 SER HG 8 0.400000 1.0080 0 - 2339 A4 253 SER C 14 0.600000 12.0110 0 - 2340 A4 253 SER O 40 -0.550000 15.9994 0 - 2341 A4 254 THR N 32 -0.400000 14.0067 0 - 2342 A4 254 THR H 1 0.250000 1.0080 0 - 2343 A4 254 THR CA 11 0.100000 13.0190 0 - 2344 A4 254 THR CB 11 0.250000 13.0190 0 - 2345 A4 254 THR OG1 45 -0.650000 15.9994 0 - 2346 A4 254 THR HG1 8 0.400000 1.0080 0 - 2347 A4 254 THR CG2 13 0.000000 15.0350 0 - 2348 A4 254 THR C 14 0.600000 12.0110 0 - 2349 A4 254 THR O 40 -0.550000 15.9994 0 - 2350 A4 255 GLU N 32 -0.400000 14.0067 0 - 2351 A4 255 GLU H 1 0.250000 1.0080 0 - 2352 A4 255 GLU CA 11 0.100000 13.0190 0 - 2353 A4 255 GLU CB 12 0.000000 14.0270 0 - 2354 A4 255 GLU CG 12 0.000000 14.0270 0 - 2355 A4 255 GLU CD 14 0.140000 12.0110 0 - 2356 A4 255 GLU OE1 43 -0.570000 15.9994 0 - 2357 A4 255 GLU OE2 43 -0.570000 15.9994 0 - 2358 A4 255 GLU C 14 0.600000 12.0110 0 - 2359 A4 255 GLU O 40 -0.550000 15.9994 0 - 2360 A4 256 LYS N 32 -0.400000 14.0067 0 - 2361 A4 256 LYS H 1 0.250000 1.0080 0 - 2362 A4 256 LYS CA 11 0.100000 13.0190 0 - 2363 A4 256 LYS CB 12 0.000000 14.0270 0 - 2364 A4 256 LYS CG 12 0.000000 14.0270 0 - 2365 A4 256 LYS CD 12 0.000000 14.0270 0 - 2366 A4 256 LYS CE 12 0.250000 14.0270 0 - 2367 A4 256 LYS NZ 36 -0.300000 14.0067 0 - 2368 A4 256 LYS HZ1 2 0.350000 1.0080 0 - 2369 A4 256 LYS HZ2 2 0.350000 1.0080 0 - 2370 A4 256 LYS HZ3 2 0.350000 1.0080 0 - 2371 A4 256 LYS C 14 0.600000 12.0110 0 - 2372 A4 256 LYS O 40 -0.550000 15.9994 0 - 2373 A4 257 PHE N 32 -0.400000 14.0067 0 - 2374 A4 257 PHE H 1 0.250000 1.0080 0 - 2375 A4 257 PHE CA 11 0.100000 13.0190 0 - 2376 A4 257 PHE CB 12 0.000000 14.0270 0 - 2377 A4 257 PHE CG 22 0.000000 12.0110 0 - 2378 A4 257 PHE CD1 24 0.000000 13.0190 0 - 2379 A4 257 PHE CD2 24 0.000000 13.0190 0 - 2380 A4 257 PHE CE1 24 0.000000 13.0190 0 - 2381 A4 257 PHE CE2 24 0.000000 13.0190 0 - 2382 A4 257 PHE CZ 24 0.000000 13.0190 0 - 2383 A4 257 PHE C 14 0.600000 12.0110 0 - 2384 A4 257 PHE O 40 -0.550000 15.9994 0 - 2385 A4 258 PRO N 33 -0.250000 14.0067 0 - 2386 A4 258 PRO CD 12 0.100000 14.0270 0 - 2387 A4 258 PRO CA 11 0.100000 13.0190 0 - 2388 A4 258 PRO CB 12 0.000000 14.0270 0 - 2389 A4 258 PRO CG 12 0.000000 14.0270 0 - 2390 A4 258 PRO C 14 0.600000 12.0110 0 - 2391 A4 258 PRO O 40 -0.550000 15.9994 0 - 2392 A4 259 ASP N 32 -0.400000 14.0067 0 - 2393 A4 259 ASP H 1 0.250000 1.0080 0 - 2394 A4 259 ASP CA 11 0.100000 13.0190 0 - 2395 A4 259 ASP CB 12 0.000000 14.0270 0 - 2396 A4 259 ASP CG 14 0.140000 12.0110 0 - 2397 A4 259 ASP OD1 43 -0.570000 15.9994 0 - 2398 A4 259 ASP OD2 43 -0.570000 15.9994 0 - 2399 A4 259 ASP C 14 0.600000 12.0110 0 - 2400 A4 259 ASP O 40 -0.550000 15.9994 0 - 2401 A4 260 GLY N 32 -0.400000 14.0067 0 - 2402 A4 260 GLY H 1 0.250000 1.0080 0 - 2403 A4 260 GLY CA 12 0.100000 14.0270 0 - 2404 A4 260 GLY C 14 0.600000 12.0110 0 - 2405 A4 260 GLY O 40 -0.550000 15.9994 0 - 2406 A4 261 PHE N 32 -0.400000 14.0067 0 - 2407 A4 261 PHE H 1 0.250000 1.0080 0 - 2408 A4 261 PHE CA 11 0.100000 13.0190 0 - 2409 A4 261 PHE CB 12 0.000000 14.0270 0 - 2410 A4 261 PHE CG 22 0.000000 12.0110 0 - 2411 A4 261 PHE CD1 24 0.000000 13.0190 0 - 2412 A4 261 PHE CD2 24 0.000000 13.0190 0 - 2413 A4 261 PHE CE1 24 0.000000 13.0190 0 - 2414 A4 261 PHE CE2 24 0.000000 13.0190 0 - 2415 A4 261 PHE CZ 24 0.000000 13.0190 0 - 2416 A4 261 PHE C 14 0.600000 12.0110 0 - 2417 A4 261 PHE O 40 -0.550000 15.9994 0 - 2418 A4 262 TRP N 32 -0.400000 14.0067 0 - 2419 A4 262 TRP H 1 0.250000 1.0080 0 - 2420 A4 262 TRP CA 11 0.100000 13.0190 0 - 2421 A4 262 TRP CB 12 0.000000 14.0270 0 - 2422 A4 262 TRP CG 21 -0.030000 12.0110 0 - 2423 A4 262 TRP CD2 26 0.100000 12.0110 0 - 2424 A4 262 TRP CE2 26 -0.040000 12.0110 0 - 2425 A4 262 TRP CE3 24 -0.030000 13.0190 0 - 2426 A4 262 TRP CD1 23 0.060000 13.0190 0 - 2427 A4 262 TRP NE1 34 -0.360000 14.0067 0 - 2428 A4 262 TRP HE1 1 0.300000 1.0080 0 - 2429 A4 262 TRP CZ2 24 0.000000 13.0190 0 - 2430 A4 262 TRP CZ3 24 0.000000 13.0190 0 - 2431 A4 262 TRP CH2 24 0.000000 13.0190 0 - 2432 A4 262 TRP C 14 0.600000 12.0110 0 - 2433 A4 262 TRP O 40 -0.550000 15.9994 0 - 2434 A4 263 LEU N 32 -0.400000 14.0067 0 - 2435 A4 263 LEU H 1 0.250000 1.0080 0 - 2436 A4 263 LEU CA 11 0.100000 13.0190 0 - 2437 A4 263 LEU CB 12 0.000000 14.0270 0 - 2438 A4 263 LEU CG 11 0.000000 13.0190 0 - 2439 A4 263 LEU CD1 13 0.000000 15.0350 0 - 2440 A4 263 LEU CD2 13 0.000000 15.0350 0 - 2441 A4 263 LEU C 14 0.600000 12.0110 0 - 2442 A4 263 LEU O 40 -0.550000 15.9994 0 - 2443 A4 264 GLY N 32 -0.400000 14.0067 0 - 2444 A4 264 GLY H 1 0.250000 1.0080 0 - 2445 A4 264 GLY CA 12 0.100000 14.0270 0 - 2446 A4 264 GLY C 14 0.600000 12.0110 0 - 2447 A4 264 GLY O 40 -0.550000 15.9994 0 - 2448 A4 265 GLU N 32 -0.400000 14.0067 0 - 2449 A4 265 GLU H 1 0.250000 1.0080 0 - 2450 A4 265 GLU CA 11 0.100000 13.0190 0 - 2451 A4 265 GLU CB 12 0.000000 14.0270 0 - 2452 A4 265 GLU CG 12 0.000000 14.0270 0 - 2453 A4 265 GLU CD 14 0.140000 12.0110 0 - 2454 A4 265 GLU OE1 43 -0.570000 15.9994 0 - 2455 A4 265 GLU OE2 43 -0.570000 15.9994 0 - 2456 A4 265 GLU C 14 0.600000 12.0110 0 - 2457 A4 265 GLU O 40 -0.550000 15.9994 0 - 2458 A4 266 GLN N 32 -0.400000 14.0067 0 - 2459 A4 266 GLN H 1 0.250000 1.0080 0 - 2460 A4 266 GLN CA 11 0.100000 13.0190 0 - 2461 A4 266 GLN CB 12 0.000000 14.0270 0 - 2462 A4 266 GLN CG 12 0.000000 14.0270 0 - 2463 A4 266 GLN CD 14 0.550000 12.0110 0 - 2464 A4 266 GLN OE1 40 -0.550000 15.9994 0 - 2465 A4 266 GLN NE2 32 -0.600000 14.0067 0 - 2466 A4 266 GLN HE21 1 0.300000 1.0080 0 - 2467 A4 266 GLN HE22 1 0.300000 1.0080 0 - 2468 A4 266 GLN C 14 0.600000 12.0110 0 - 2469 A4 266 GLN O 40 -0.550000 15.9994 0 - 2470 A4 267 LEU N 32 -0.400000 14.0067 0 - 2471 A4 267 LEU H 1 0.250000 1.0080 0 - 2472 A4 267 LEU CA 11 0.100000 13.0190 0 - 2473 A4 267 LEU CB 12 0.000000 14.0270 0 - 2474 A4 267 LEU CG 11 0.000000 13.0190 0 - 2475 A4 267 LEU CD1 13 0.000000 15.0350 0 - 2476 A4 267 LEU CD2 13 0.000000 15.0350 0 - 2477 A4 267 LEU C 14 0.600000 12.0110 0 - 2478 A4 267 LEU O 40 -0.550000 15.9994 0 - 2479 A4 268 VAL N 32 -0.400000 14.0067 0 - 2480 A4 268 VAL H 1 0.250000 1.0080 0 - 2481 A4 268 VAL CA 11 0.100000 13.0190 0 - 2482 A4 268 VAL CB 11 0.000000 13.0190 0 - 2483 A4 268 VAL CG1 13 0.000000 15.0350 0 - 2484 A4 268 VAL CG2 13 0.000000 15.0350 0 - 2485 A4 268 VAL C 14 0.600000 12.0110 0 - 2486 A4 268 VAL O 40 -0.550000 15.9994 0 - 2487 A4 269 CYS N 32 -0.400000 14.0067 0 - 2488 A4 269 CYS H 1 0.250000 1.0080 0 - 2489 A4 269 CYS CA 11 0.100000 13.0190 0 - 2490 A4 269 CYS CB 12 0.190000 14.0270 0 - 2491 A4 269 CYS SG 70 -0.190000 32.0600 0 - 2492 A4 269 CYS C 14 0.600000 12.0110 0 - 2493 A4 269 CYS O 40 -0.550000 15.9994 0 - 2494 A4 270 TRP N 32 -0.400000 14.0067 0 - 2495 A4 270 TRP H 1 0.250000 1.0080 0 - 2496 A4 270 TRP CA 11 0.100000 13.0190 0 - 2497 A4 270 TRP CB 12 0.000000 14.0270 0 - 2498 A4 270 TRP CG 21 -0.030000 12.0110 0 - 2499 A4 270 TRP CD2 26 0.100000 12.0110 0 - 2500 A4 270 TRP CE2 26 -0.040000 12.0110 0 - 2501 A4 270 TRP CE3 24 -0.030000 13.0190 0 - 2502 A4 270 TRP CD1 23 0.060000 13.0190 0 - 2503 A4 270 TRP NE1 34 -0.360000 14.0067 0 - 2504 A4 270 TRP HE1 1 0.300000 1.0080 0 - 2505 A4 270 TRP CZ2 24 0.000000 13.0190 0 - 2506 A4 270 TRP CZ3 24 0.000000 13.0190 0 - 2507 A4 270 TRP CH2 24 0.000000 13.0190 0 - 2508 A4 270 TRP C 14 0.600000 12.0110 0 - 2509 A4 270 TRP O 40 -0.550000 15.9994 0 - 2510 A4 271 GLN N 32 -0.400000 14.0067 0 - 2511 A4 271 GLN H 1 0.250000 1.0080 0 - 2512 A4 271 GLN CA 11 0.100000 13.0190 0 - 2513 A4 271 GLN CB 12 0.000000 14.0270 0 - 2514 A4 271 GLN CG 12 0.000000 14.0270 0 - 2515 A4 271 GLN CD 14 0.550000 12.0110 0 - 2516 A4 271 GLN OE1 40 -0.550000 15.9994 0 - 2517 A4 271 GLN NE2 32 -0.600000 14.0067 0 - 2518 A4 271 GLN HE21 1 0.300000 1.0080 0 - 2519 A4 271 GLN HE22 1 0.300000 1.0080 0 - 2520 A4 271 GLN C 14 0.600000 12.0110 0 - 2521 A4 271 GLN O 40 -0.550000 15.9994 0 - 2522 A4 272 ALA N 32 -0.400000 14.0067 0 - 2523 A4 272 ALA H 1 0.250000 1.0080 0 - 2524 A4 272 ALA CA 11 0.100000 13.0190 0 - 2525 A4 272 ALA CB 13 0.000000 15.0350 0 - 2526 A4 272 ALA C 14 0.600000 12.0110 0 - 2527 A4 272 ALA O 40 -0.550000 15.9994 0 - 2528 A4 273 GLY N 32 -0.400000 14.0067 0 - 2529 A4 273 GLY H 1 0.250000 1.0080 0 - 2530 A4 273 GLY CA 12 0.100000 14.0270 0 - 2531 A4 273 GLY C 14 0.600000 12.0110 0 - 2532 A4 273 GLY O 40 -0.550000 15.9994 0 - 2533 A4 274 THR N 32 -0.400000 14.0067 0 - 2534 A4 274 THR H 1 0.250000 1.0080 0 - 2535 A4 274 THR CA 11 0.100000 13.0190 0 - 2536 A4 274 THR CB 11 0.250000 13.0190 0 - 2537 A4 274 THR OG1 45 -0.650000 15.9994 0 - 2538 A4 274 THR HG1 8 0.400000 1.0080 0 - 2539 A4 274 THR CG2 13 0.000000 15.0350 0 - 2540 A4 274 THR C 14 0.600000 12.0110 0 - 2541 A4 274 THR O 40 -0.550000 15.9994 0 - 2542 A4 275 THR N 32 -0.400000 14.0067 0 - 2543 A4 275 THR H 1 0.250000 1.0080 0 - 2544 A4 275 THR CA 11 0.100000 13.0190 0 - 2545 A4 275 THR CB 11 0.250000 13.0190 0 - 2546 A4 275 THR OG1 45 -0.650000 15.9994 0 - 2547 A4 275 THR HG1 8 0.400000 1.0080 0 - 2548 A4 275 THR CG2 13 0.000000 15.0350 0 - 2549 A4 275 THR C 14 0.600000 12.0110 0 - 2550 A4 275 THR O 40 -0.550000 15.9994 0 - 2551 A4 276 PRO N 33 -0.250000 14.0067 0 - 2552 A4 276 PRO CD 12 0.100000 14.0270 0 - 2553 A4 276 PRO CA 11 0.100000 13.0190 0 - 2554 A4 276 PRO CB 12 0.000000 14.0270 0 - 2555 A4 276 PRO CG 12 0.000000 14.0270 0 - 2556 A4 276 PRO C 14 0.600000 12.0110 0 - 2557 A4 276 PRO O 40 -0.550000 15.9994 0 - 2558 A4 277 TRP N 32 -0.400000 14.0067 0 - 2559 A4 277 TRP H 1 0.250000 1.0080 0 - 2560 A4 277 TRP CA 11 0.100000 13.0190 0 - 2561 A4 277 TRP CB 12 0.000000 14.0270 0 - 2562 A4 277 TRP CG 21 -0.030000 12.0110 0 - 2563 A4 277 TRP CD2 26 0.100000 12.0110 0 - 2564 A4 277 TRP CE2 26 -0.040000 12.0110 0 - 2565 A4 277 TRP CE3 24 -0.030000 13.0190 0 - 2566 A4 277 TRP CD1 23 0.060000 13.0190 0 - 2567 A4 277 TRP NE1 34 -0.360000 14.0067 0 - 2568 A4 277 TRP HE1 1 0.300000 1.0080 0 - 2569 A4 277 TRP CZ2 24 0.000000 13.0190 0 - 2570 A4 277 TRP CZ3 24 0.000000 13.0190 0 - 2571 A4 277 TRP CH2 24 0.000000 13.0190 0 - 2572 A4 277 TRP C 14 0.600000 12.0110 0 - 2573 A4 277 TRP O 40 -0.550000 15.9994 0 - 2574 A4 278 ASN N 32 -0.400000 14.0067 0 - 2575 A4 278 ASN H 1 0.250000 1.0080 0 - 2576 A4 278 ASN CA 11 0.100000 13.0190 0 - 2577 A4 278 ASN CB 12 0.000000 14.0270 0 - 2578 A4 278 ASN CG 14 0.550000 12.0110 0 - 2579 A4 278 ASN OD1 40 -0.550000 15.9994 0 - 2580 A4 278 ASN ND2 32 -0.600000 14.0067 0 - 2581 A4 278 ASN HD21 1 0.300000 1.0080 0 - 2582 A4 278 ASN HD22 1 0.300000 1.0080 0 - 2583 A4 278 ASN C 14 0.600000 12.0110 0 - 2584 A4 278 ASN O 40 -0.550000 15.9994 0 - 2585 A4 279 ILE N 32 -0.400000 14.0067 0 - 2586 A4 279 ILE H 1 0.250000 1.0080 0 - 2587 A4 279 ILE CA 11 0.100000 13.0190 0 - 2588 A4 279 ILE CB 11 0.000000 13.0190 0 - 2589 A4 279 ILE CG2 13 0.000000 15.0350 0 - 2590 A4 279 ILE CG1 12 0.000000 14.0270 0 - 2591 A4 279 ILE CD1 13 0.000000 15.0350 0 - 2592 A4 279 ILE C 14 0.600000 12.0110 0 - 2593 A4 279 ILE O 40 -0.550000 15.9994 0 - 2594 A4 280 PHE N 32 -0.400000 14.0067 0 - 2595 A4 280 PHE H 1 0.250000 1.0080 0 - 2596 A4 280 PHE CA 11 0.100000 13.0190 0 - 2597 A4 280 PHE CB 12 0.000000 14.0270 0 - 2598 A4 280 PHE CG 22 0.000000 12.0110 0 - 2599 A4 280 PHE CD1 24 0.000000 13.0190 0 - 2600 A4 280 PHE CD2 24 0.000000 13.0190 0 - 2601 A4 280 PHE CE1 24 0.000000 13.0190 0 - 2602 A4 280 PHE CE2 24 0.000000 13.0190 0 - 2603 A4 280 PHE CZ 24 0.000000 13.0190 0 - 2604 A4 280 PHE C 14 0.600000 12.0110 0 - 2605 A4 280 PHE O 40 -0.550000 15.9994 0 - 2606 A4 281 PRO N 33 -0.250000 14.0067 0 - 2607 A4 281 PRO CD 12 0.100000 14.0270 0 - 2608 A4 281 PRO CA 11 0.100000 13.0190 0 - 2609 A4 281 PRO CB 12 0.000000 14.0270 0 - 2610 A4 281 PRO CG 12 0.000000 14.0270 0 - 2611 A4 281 PRO C 14 0.600000 12.0110 0 - 2612 A4 281 PRO O 40 -0.550000 15.9994 0 - 2613 A4 282 VAL N 32 -0.400000 14.0067 0 - 2614 A4 282 VAL H 1 0.250000 1.0080 0 - 2615 A4 282 VAL CA 11 0.100000 13.0190 0 - 2616 A4 282 VAL CB 11 0.000000 13.0190 0 - 2617 A4 282 VAL CG1 13 0.000000 15.0350 0 - 2618 A4 282 VAL CG2 13 0.000000 15.0350 0 - 2619 A4 282 VAL C 14 0.600000 12.0110 0 - 2620 A4 282 VAL O 40 -0.550000 15.9994 0 - 2621 A4 283 ILE N 32 -0.400000 14.0067 0 - 2622 A4 283 ILE H 1 0.250000 1.0080 0 - 2623 A4 283 ILE CA 11 0.100000 13.0190 0 - 2624 A4 283 ILE CB 11 0.000000 13.0190 0 - 2625 A4 283 ILE CG2 13 0.000000 15.0350 0 - 2626 A4 283 ILE CG1 12 0.000000 14.0270 0 - 2627 A4 283 ILE CD1 13 0.000000 15.0350 0 - 2628 A4 283 ILE C 14 0.600000 12.0110 0 - 2629 A4 283 ILE O 40 -0.550000 15.9994 0 - 2630 A4 284 SER N 32 -0.400000 14.0067 0 - 2631 A4 284 SER H 1 0.250000 1.0080 0 - 2632 A4 284 SER CA 11 0.100000 13.0190 0 - 2633 A4 284 SER CB 12 0.250000 14.0270 0 - 2634 A4 284 SER OG 45 -0.650000 15.9994 0 - 2635 A4 284 SER HG 8 0.400000 1.0080 0 - 2636 A4 284 SER C 14 0.600000 12.0110 0 - 2637 A4 284 SER O 40 -0.550000 15.9994 0 - 2638 A4 285 LEU N 32 -0.400000 14.0067 0 - 2639 A4 285 LEU H 1 0.250000 1.0080 0 - 2640 A4 285 LEU CA 11 0.100000 13.0190 0 - 2641 A4 285 LEU CB 12 0.000000 14.0270 0 - 2642 A4 285 LEU CG 11 0.000000 13.0190 0 - 2643 A4 285 LEU CD1 13 0.000000 15.0350 0 - 2644 A4 285 LEU CD2 13 0.000000 15.0350 0 - 2645 A4 285 LEU C 14 0.600000 12.0110 0 - 2646 A4 285 LEU O 40 -0.550000 15.9994 0 - 2647 A4 286 TYR N 32 -0.400000 14.0067 0 - 2648 A4 286 TYR H 1 0.250000 1.0080 0 - 2649 A4 286 TYR CA 11 0.100000 13.0190 0 - 2650 A4 286 TYR CB 12 0.000000 14.0270 0 - 2651 A4 286 TYR CG 22 0.000000 12.0110 0 - 2652 A4 286 TYR CD1 24 0.000000 13.0190 0 - 2653 A4 286 TYR CE1 24 0.000000 13.0190 0 - 2654 A4 286 TYR CD2 24 0.000000 13.0190 0 - 2655 A4 286 TYR CE2 24 0.000000 13.0190 0 - 2656 A4 286 TYR CZ 22 0.250000 12.0110 0 - 2657 A4 286 TYR OH 45 -0.650000 15.9994 0 - 2658 A4 286 TYR HH 8 0.400000 1.0080 0 - 2659 A4 286 TYR C 14 0.600000 12.0110 0 - 2660 A4 286 TYR O 40 -0.550000 15.9994 0 - 2661 A4 287 LEU N 32 -0.400000 14.0067 0 - 2662 A4 287 LEU H 1 0.250000 1.0080 0 - 2663 A4 287 LEU CA 11 0.100000 13.0190 0 - 2664 A4 287 LEU CB 12 0.000000 14.0270 0 - 2665 A4 287 LEU CG 11 0.000000 13.0190 0 - 2666 A4 287 LEU CD1 13 0.000000 15.0350 0 - 2667 A4 287 LEU CD2 13 0.000000 15.0350 0 - 2668 A4 287 LEU C 14 0.600000 12.0110 0 - 2669 A4 287 LEU O 40 -0.550000 15.9994 0 - 2670 A4 288 MET N 32 -0.400000 14.0067 0 - 2671 A4 288 MET H 1 0.250000 1.0080 0 - 2672 A4 288 MET CA 11 0.100000 13.0190 0 - 2673 A4 288 MET CB 12 0.000000 14.0270 0 - 2674 A4 288 MET CG 12 0.060000 14.0270 0 - 2675 A4 288 MET SD 74 -0.120000 32.0600 0 - 2676 A4 288 MET CE 13 0.060000 15.0350 0 - 2677 A4 288 MET C 14 0.600000 12.0110 0 - 2678 A4 288 MET O 40 -0.550000 15.9994 0 - 2679 A4 289 GLY N 32 -0.400000 14.0067 0 - 2680 A4 289 GLY H 1 0.250000 1.0080 0 - 2681 A4 289 GLY CA 12 0.100000 14.0270 0 - 2682 A4 289 GLY C 14 0.600000 12.0110 0 - 2683 A4 289 GLY O 40 -0.550000 15.9994 0 - 2684 A4 290 GLU N 32 -0.400000 14.0067 0 - 2685 A4 290 GLU H 1 0.250000 1.0080 0 - 2686 A4 290 GLU CA 11 0.100000 13.0190 0 - 2687 A4 290 GLU CB 12 0.000000 14.0270 0 - 2688 A4 290 GLU CG 12 0.000000 14.0270 0 - 2689 A4 290 GLU CD 14 0.140000 12.0110 0 - 2690 A4 290 GLU OE1 43 -0.570000 15.9994 0 - 2691 A4 290 GLU OE2 43 -0.570000 15.9994 0 - 2692 A4 290 GLU C 14 0.600000 12.0110 0 - 2693 A4 290 GLU O 40 -0.550000 15.9994 0 - 2694 A4 291 VAL N 32 -0.400000 14.0067 0 - 2695 A4 291 VAL H 1 0.250000 1.0080 0 - 2696 A4 291 VAL CA 11 0.100000 13.0190 0 - 2697 A4 291 VAL CB 11 0.000000 13.0190 0 - 2698 A4 291 VAL CG1 13 0.000000 15.0350 0 - 2699 A4 291 VAL CG2 13 0.000000 15.0350 0 - 2700 A4 291 VAL C 14 0.600000 12.0110 0 - 2701 A4 291 VAL O 40 -0.550000 15.9994 0 - 2702 A4 292 THR N 32 -0.400000 14.0067 0 - 2703 A4 292 THR H 1 0.250000 1.0080 0 - 2704 A4 292 THR CA 11 0.100000 13.0190 0 - 2705 A4 292 THR CB 11 0.250000 13.0190 0 - 2706 A4 292 THR OG1 45 -0.650000 15.9994 0 - 2707 A4 292 THR HG1 8 0.400000 1.0080 0 - 2708 A4 292 THR CG2 13 0.000000 15.0350 0 - 2709 A4 292 THR C 14 0.600000 12.0110 0 - 2710 A4 292 THR O 40 -0.550000 15.9994 0 - 2711 A4 293 ASN N 32 -0.400000 14.0067 0 - 2712 A4 293 ASN H 1 0.250000 1.0080 0 - 2713 A4 293 ASN CA 11 0.100000 13.0190 0 - 2714 A4 293 ASN CB 12 0.000000 14.0270 0 - 2715 A4 293 ASN CG 14 0.550000 12.0110 0 - 2716 A4 293 ASN OD1 40 -0.550000 15.9994 0 - 2717 A4 293 ASN ND2 32 -0.600000 14.0067 0 - 2718 A4 293 ASN HD21 1 0.300000 1.0080 0 - 2719 A4 293 ASN HD22 1 0.300000 1.0080 0 - 2720 A4 293 ASN C 14 0.600000 12.0110 0 - 2721 A4 293 ASN O 40 -0.550000 15.9994 0 - 2722 A4 294 GLN N 32 -0.400000 14.0067 0 - 2723 A4 294 GLN H 1 0.250000 1.0080 0 - 2724 A4 294 GLN CA 11 0.100000 13.0190 0 - 2725 A4 294 GLN CB 12 0.000000 14.0270 0 - 2726 A4 294 GLN CG 12 0.000000 14.0270 0 - 2727 A4 294 GLN CD 14 0.550000 12.0110 0 - 2728 A4 294 GLN OE1 40 -0.550000 15.9994 0 - 2729 A4 294 GLN NE2 32 -0.600000 14.0067 0 - 2730 A4 294 GLN HE21 1 0.300000 1.0080 0 - 2731 A4 294 GLN HE22 1 0.300000 1.0080 0 - 2732 A4 294 GLN C 14 0.600000 12.0110 0 - 2733 A4 294 GLN O 40 -0.550000 15.9994 0 - 2734 A4 295 SER N 32 -0.400000 14.0067 0 - 2735 A4 295 SER H 1 0.250000 1.0080 0 - 2736 A4 295 SER CA 11 0.100000 13.0190 0 - 2737 A4 295 SER CB 12 0.250000 14.0270 0 - 2738 A4 295 SER OG 45 -0.650000 15.9994 0 - 2739 A4 295 SER HG 8 0.400000 1.0080 0 - 2740 A4 295 SER C 14 0.600000 12.0110 0 - 2741 A4 295 SER O 40 -0.550000 15.9994 0 - 2742 A4 296 PHE N 32 -0.400000 14.0067 0 - 2743 A4 296 PHE H 1 0.250000 1.0080 0 - 2744 A4 296 PHE CA 11 0.100000 13.0190 0 - 2745 A4 296 PHE CB 12 0.000000 14.0270 0 - 2746 A4 296 PHE CG 22 0.000000 12.0110 0 - 2747 A4 296 PHE CD1 24 0.000000 13.0190 0 - 2748 A4 296 PHE CD2 24 0.000000 13.0190 0 - 2749 A4 296 PHE CE1 24 0.000000 13.0190 0 - 2750 A4 296 PHE CE2 24 0.000000 13.0190 0 - 2751 A4 296 PHE CZ 24 0.000000 13.0190 0 - 2752 A4 296 PHE C 14 0.600000 12.0110 0 - 2753 A4 296 PHE O 40 -0.550000 15.9994 0 - 2754 A4 297 ARG N 32 -0.400000 14.0067 0 - 2755 A4 297 ARG H 1 0.250000 1.0080 0 - 2756 A4 297 ARG CA 11 0.100000 13.0190 0 - 2757 A4 297 ARG CB 12 0.000000 14.0270 0 - 2758 A4 297 ARG CG 12 0.000000 14.0270 0 - 2759 A4 297 ARG CD 12 0.100000 14.0270 0 - 2760 A4 297 ARG NE 32 -0.400000 14.0067 0 - 2761 A4 297 ARG HE 1 0.300000 1.0080 0 - 2762 A4 297 ARG CZ 14 0.500000 12.0110 0 - 2763 A4 297 ARG NH1 37 -0.450000 14.0067 0 - 2764 A4 297 ARG HH11 2 0.350000 1.0080 0 - 2765 A4 297 ARG HH12 2 0.350000 1.0080 0 - 2766 A4 297 ARG NH2 37 -0.450000 14.0067 0 - 2767 A4 297 ARG HH21 2 0.350000 1.0080 0 - 2768 A4 297 ARG HH22 2 0.350000 1.0080 0 - 2769 A4 297 ARG C 14 0.600000 12.0110 0 - 2770 A4 297 ARG O 40 -0.550000 15.9994 0 - 2771 A4 298 ILE N 32 -0.400000 14.0067 0 - 2772 A4 298 ILE H 1 0.250000 1.0080 0 - 2773 A4 298 ILE CA 11 0.100000 13.0190 0 - 2774 A4 298 ILE CB 11 0.000000 13.0190 0 - 2775 A4 298 ILE CG2 13 0.000000 15.0350 0 - 2776 A4 298 ILE CG1 12 0.000000 14.0270 0 - 2777 A4 298 ILE CD1 13 0.000000 15.0350 0 - 2778 A4 298 ILE C 14 0.600000 12.0110 0 - 2779 A4 298 ILE O 40 -0.550000 15.9994 0 - 2780 A4 299 THR N 32 -0.400000 14.0067 0 - 2781 A4 299 THR H 1 0.250000 1.0080 0 - 2782 A4 299 THR CA 11 0.100000 13.0190 0 - 2783 A4 299 THR CB 11 0.250000 13.0190 0 - 2784 A4 299 THR OG1 45 -0.650000 15.9994 0 - 2785 A4 299 THR HG1 8 0.400000 1.0080 0 - 2786 A4 299 THR CG2 13 0.000000 15.0350 0 - 2787 A4 299 THR C 14 0.600000 12.0110 0 - 2788 A4 299 THR O 40 -0.550000 15.9994 0 - 2789 A4 300 ILE N 32 -0.400000 14.0067 0 - 2790 A4 300 ILE H 1 0.250000 1.0080 0 - 2791 A4 300 ILE CA 11 0.100000 13.0190 0 - 2792 A4 300 ILE CB 11 0.000000 13.0190 0 - 2793 A4 300 ILE CG2 13 0.000000 15.0350 0 - 2794 A4 300 ILE CG1 12 0.000000 14.0270 0 - 2795 A4 300 ILE CD1 13 0.000000 15.0350 0 - 2796 A4 300 ILE C 14 0.600000 12.0110 0 - 2797 A4 300 ILE O 40 -0.550000 15.9994 0 - 2798 A4 301 LEU N 32 -0.400000 14.0067 0 - 2799 A4 301 LEU H 1 0.250000 1.0080 0 - 2800 A4 301 LEU CA 11 0.100000 13.0190 0 - 2801 A4 301 LEU CB 12 0.000000 14.0270 0 - 2802 A4 301 LEU CG 11 0.000000 13.0190 0 - 2803 A4 301 LEU CD1 13 0.000000 15.0350 0 - 2804 A4 301 LEU CD2 13 0.000000 15.0350 0 - 2805 A4 301 LEU C 14 0.600000 12.0110 0 - 2806 A4 301 LEU O 40 -0.550000 15.9994 0 - 2807 A4 302 PRO N 33 -0.250000 14.0067 0 - 2808 A4 302 PRO CD 12 0.100000 14.0270 0 - 2809 A4 302 PRO CA 11 0.100000 13.0190 0 - 2810 A4 302 PRO CB 12 0.000000 14.0270 0 - 2811 A4 302 PRO CG 12 0.000000 14.0270 0 - 2812 A4 302 PRO C 14 0.600000 12.0110 0 - 2813 A4 302 PRO O 40 -0.550000 15.9994 0 - 2814 A4 303 GLN N 32 -0.400000 14.0067 0 - 2815 A4 303 GLN H 1 0.250000 1.0080 0 - 2816 A4 303 GLN CA 11 0.100000 13.0190 0 - 2817 A4 303 GLN CB 12 0.000000 14.0270 0 - 2818 A4 303 GLN CG 12 0.000000 14.0270 0 - 2819 A4 303 GLN CD 14 0.550000 12.0110 0 - 2820 A4 303 GLN OE1 40 -0.550000 15.9994 0 - 2821 A4 303 GLN NE2 32 -0.600000 14.0067 0 - 2822 A4 303 GLN HE21 1 0.300000 1.0080 0 - 2823 A4 303 GLN HE22 1 0.300000 1.0080 0 - 2824 A4 303 GLN C 14 0.600000 12.0110 0 - 2825 A4 303 GLN O 40 -0.550000 15.9994 0 - 2826 A4 304 GLN N 32 -0.400000 14.0067 0 - 2827 A4 304 GLN H 1 0.250000 1.0080 0 - 2828 A4 304 GLN CA 11 0.100000 13.0190 0 - 2829 A4 304 GLN CB 12 0.000000 14.0270 0 - 2830 A4 304 GLN CG 12 0.000000 14.0270 0 - 2831 A4 304 GLN CD 14 0.550000 12.0110 0 - 2832 A4 304 GLN OE1 40 -0.550000 15.9994 0 - 2833 A4 304 GLN NE2 32 -0.600000 14.0067 0 - 2834 A4 304 GLN HE21 1 0.300000 1.0080 0 - 2835 A4 304 GLN HE22 1 0.300000 1.0080 0 - 2836 A4 304 GLN C 14 0.600000 12.0110 0 - 2837 A4 304 GLN O 40 -0.550000 15.9994 0 - 2838 A4 305 TYR N 32 -0.400000 14.0067 0 - 2839 A4 305 TYR H 1 0.250000 1.0080 0 - 2840 A4 305 TYR CA 11 0.100000 13.0190 0 - 2841 A4 305 TYR CB 12 0.000000 14.0270 0 - 2842 A4 305 TYR CG 22 0.000000 12.0110 0 - 2843 A4 305 TYR CD1 24 0.000000 13.0190 0 - 2844 A4 305 TYR CE1 24 0.000000 13.0190 0 - 2845 A4 305 TYR CD2 24 0.000000 13.0190 0 - 2846 A4 305 TYR CE2 24 0.000000 13.0190 0 - 2847 A4 305 TYR CZ 22 0.250000 12.0110 0 - 2848 A4 305 TYR OH 45 -0.650000 15.9994 0 - 2849 A4 305 TYR HH 8 0.400000 1.0080 0 - 2850 A4 305 TYR C 14 0.600000 12.0110 0 - 2851 A4 305 TYR O 40 -0.550000 15.9994 0 - 2852 A4 306 LEU N 32 -0.400000 14.0067 0 - 2853 A4 306 LEU H 1 0.250000 1.0080 0 - 2854 A4 306 LEU CA 11 0.100000 13.0190 0 - 2855 A4 306 LEU CB 12 0.000000 14.0270 0 - 2856 A4 306 LEU CG 11 0.000000 13.0190 0 - 2857 A4 306 LEU CD1 13 0.000000 15.0350 0 - 2858 A4 306 LEU CD2 13 0.000000 15.0350 0 - 2859 A4 306 LEU C 14 0.600000 12.0110 0 - 2860 A4 306 LEU O 40 -0.550000 15.9994 0 - 2861 A4 307 ARG N 32 -0.400000 14.0067 0 - 2862 A4 307 ARG H 1 0.250000 1.0080 0 - 2863 A4 307 ARG CA 11 0.100000 13.0190 0 - 2864 A4 307 ARG CB 12 0.000000 14.0270 0 - 2865 A4 307 ARG CG 12 0.000000 14.0270 0 - 2866 A4 307 ARG CD 12 0.100000 14.0270 0 - 2867 A4 307 ARG NE 32 -0.400000 14.0067 0 - 2868 A4 307 ARG HE 1 0.300000 1.0080 0 - 2869 A4 307 ARG CZ 14 0.500000 12.0110 0 - 2870 A4 307 ARG NH1 37 -0.450000 14.0067 0 - 2871 A4 307 ARG HH11 2 0.350000 1.0080 0 - 2872 A4 307 ARG HH12 2 0.350000 1.0080 0 - 2873 A4 307 ARG NH2 37 -0.450000 14.0067 0 - 2874 A4 307 ARG HH21 2 0.350000 1.0080 0 - 2875 A4 307 ARG HH22 2 0.350000 1.0080 0 - 2876 A4 307 ARG C 14 0.600000 12.0110 0 - 2877 A4 307 ARG O 40 -0.550000 15.9994 0 - 2878 A4 308 PRO N 33 -0.250000 14.0067 0 - 2879 A4 308 PRO CD 12 0.100000 14.0270 0 - 2880 A4 308 PRO CA 11 0.100000 13.0190 0 - 2881 A4 308 PRO CB 12 0.000000 14.0270 0 - 2882 A4 308 PRO CG 12 0.000000 14.0270 0 - 2883 A4 308 PRO C 14 0.600000 12.0110 0 - 2884 A4 308 PRO O 40 -0.550000 15.9994 0 - 2885 A4 309 VAL N 32 -0.400000 14.0067 0 - 2886 A4 309 VAL H 1 0.250000 1.0080 0 - 2887 A4 309 VAL CA 11 0.100000 13.0190 0 - 2888 A4 309 VAL CB 11 0.000000 13.0190 0 - 2889 A4 309 VAL CG1 13 0.000000 15.0350 0 - 2890 A4 309 VAL CG2 13 0.000000 15.0350 0 - 2891 A4 309 VAL C 14 0.600000 12.0110 0 - 2892 A4 309 VAL O 40 -0.550000 15.9994 0 - 2893 A4 310 GLU N 32 -0.400000 14.0067 0 - 2894 A4 310 GLU H 1 0.250000 1.0080 0 - 2895 A4 310 GLU CA 11 0.100000 13.0190 0 - 2896 A4 310 GLU CB 12 0.000000 14.0270 0 - 2897 A4 310 GLU CG 12 0.000000 14.0270 0 - 2898 A4 310 GLU CD 14 0.140000 12.0110 0 - 2899 A4 310 GLU OE1 43 -0.570000 15.9994 0 - 2900 A4 310 GLU OE2 43 -0.570000 15.9994 0 - 2901 A4 310 GLU C 14 0.600000 12.0110 0 - 2902 A4 310 GLU O 40 -0.550000 15.9994 0 - 2903 A4 311 ASP N 32 -0.400000 14.0067 0 - 2904 A4 311 ASP H 1 0.250000 1.0080 0 - 2905 A4 311 ASP CA 11 0.100000 13.0190 0 - 2906 A4 311 ASP CB 12 0.000000 14.0270 0 - 2907 A4 311 ASP CG 14 0.140000 12.0110 0 - 2908 A4 311 ASP OD1 43 -0.570000 15.9994 0 - 2909 A4 311 ASP OD2 43 -0.570000 15.9994 0 - 2910 A4 311 ASP C 14 0.600000 12.0110 0 - 2911 A4 311 ASP O 40 -0.550000 15.9994 0 - 2912 A4 312 VAL N 32 -0.400000 14.0067 0 - 2913 A4 312 VAL H 1 0.250000 1.0080 0 - 2914 A4 312 VAL CA 11 0.100000 13.0190 0 - 2915 A4 312 VAL CB 11 0.000000 13.0190 0 - 2916 A4 312 VAL CG1 13 0.000000 15.0350 0 - 2917 A4 312 VAL CG2 13 0.000000 15.0350 0 - 2918 A4 312 VAL C 14 0.600000 12.0110 0 - 2919 A4 312 VAL O 40 -0.550000 15.9994 0 - 2920 A4 313 ALA N 32 -0.400000 14.0067 0 - 2921 A4 313 ALA H 1 0.250000 1.0080 0 - 2922 A4 313 ALA CA 11 0.100000 13.0190 0 - 2923 A4 313 ALA CB 13 0.000000 15.0350 0 - 2924 A4 313 ALA C 14 0.600000 12.0110 0 - 2925 A4 313 ALA O 40 -0.550000 15.9994 0 - 2926 A4 314 THR N 32 -0.400000 14.0067 0 - 2927 A4 314 THR H 1 0.250000 1.0080 0 - 2928 A4 314 THR CA 11 0.100000 13.0190 0 - 2929 A4 314 THR CB 11 0.250000 13.0190 0 - 2930 A4 314 THR OG1 45 -0.650000 15.9994 0 - 2931 A4 314 THR HG1 8 0.400000 1.0080 0 - 2932 A4 314 THR CG2 13 0.000000 15.0350 0 - 2933 A4 314 THR C 14 0.600000 12.0110 0 - 2934 A4 314 THR O 40 -0.550000 15.9994 0 - 2935 A4 315 SER N 32 -0.400000 14.0067 0 - 2936 A4 315 SER H 1 0.250000 1.0080 0 - 2937 A4 315 SER CA 11 0.100000 13.0190 0 - 2938 A4 315 SER CB 12 0.250000 14.0270 0 - 2939 A4 315 SER OG 45 -0.650000 15.9994 0 - 2940 A4 315 SER HG 8 0.400000 1.0080 0 - 2941 A4 315 SER C 14 0.600000 12.0110 0 - 2942 A4 315 SER O 40 -0.550000 15.9994 0 - 2943 A4 316 GLN N 32 -0.400000 14.0067 0 - 2944 A4 316 GLN H 1 0.250000 1.0080 0 - 2945 A4 316 GLN CA 11 0.100000 13.0190 0 - 2946 A4 316 GLN CB 12 0.000000 14.0270 0 - 2947 A4 316 GLN CG 12 0.000000 14.0270 0 - 2948 A4 316 GLN CD 14 0.550000 12.0110 0 - 2949 A4 316 GLN OE1 40 -0.550000 15.9994 0 - 2950 A4 316 GLN NE2 32 -0.600000 14.0067 0 - 2951 A4 316 GLN HE21 1 0.300000 1.0080 0 - 2952 A4 316 GLN HE22 1 0.300000 1.0080 0 - 2953 A4 316 GLN C 14 0.600000 12.0110 0 - 2954 A4 316 GLN O 40 -0.550000 15.9994 0 - 2955 A4 317 ASP N 32 -0.400000 14.0067 0 - 2956 A4 317 ASP H 1 0.250000 1.0080 0 - 2957 A4 317 ASP CA 11 0.100000 13.0190 0 - 2958 A4 317 ASP CB 12 0.000000 14.0270 0 - 2959 A4 317 ASP CG 14 0.140000 12.0110 0 - 2960 A4 317 ASP OD1 43 -0.570000 15.9994 0 - 2961 A4 317 ASP OD2 43 -0.570000 15.9994 0 - 2962 A4 317 ASP C 14 0.600000 12.0110 0 - 2963 A4 317 ASP O 40 -0.550000 15.9994 0 - 2964 A4 318 ASP N 32 -0.400000 14.0067 0 - 2965 A4 318 ASP H 1 0.250000 1.0080 0 - 2966 A4 318 ASP CA 11 0.100000 13.0190 0 - 2967 A4 318 ASP CB 12 0.000000 14.0270 0 - 2968 A4 318 ASP CG 14 0.140000 12.0110 0 - 2969 A4 318 ASP OD1 43 -0.570000 15.9994 0 - 2970 A4 318 ASP OD2 43 -0.570000 15.9994 0 - 2971 A4 318 ASP C 14 0.600000 12.0110 0 - 2972 A4 318 ASP O 40 -0.550000 15.9994 0 - 2973 A4 319 CYS N 32 -0.400000 14.0067 0 - 2974 A4 319 CYS H 1 0.250000 1.0080 0 - 2975 A4 319 CYS CA 11 0.100000 13.0190 0 - 2976 A4 319 CYS CB 12 0.190000 14.0270 0 - 2977 A4 319 CYS SG 70 -0.190000 32.0600 0 - 2978 A4 319 CYS C 14 0.600000 12.0110 0 - 2979 A4 319 CYS O 40 -0.550000 15.9994 0 - 2980 A4 320 TYR N 32 -0.400000 14.0067 0 - 2981 A4 320 TYR H 1 0.250000 1.0080 0 - 2982 A4 320 TYR CA 11 0.100000 13.0190 0 - 2983 A4 320 TYR CB 12 0.000000 14.0270 0 - 2984 A4 320 TYR CG 22 0.000000 12.0110 0 - 2985 A4 320 TYR CD1 24 0.000000 13.0190 0 - 2986 A4 320 TYR CE1 24 0.000000 13.0190 0 - 2987 A4 320 TYR CD2 24 0.000000 13.0190 0 - 2988 A4 320 TYR CE2 24 0.000000 13.0190 0 - 2989 A4 320 TYR CZ 22 0.250000 12.0110 0 - 2990 A4 320 TYR OH 45 -0.650000 15.9994 0 - 2991 A4 320 TYR HH 8 0.400000 1.0080 0 - 2992 A4 320 TYR C 14 0.600000 12.0110 0 - 2993 A4 320 TYR O 40 -0.550000 15.9994 0 - 2994 A4 321 LYS N 32 -0.400000 14.0067 0 - 2995 A4 321 LYS H 1 0.250000 1.0080 0 - 2996 A4 321 LYS CA 11 0.100000 13.0190 0 - 2997 A4 321 LYS CB 12 0.000000 14.0270 0 - 2998 A4 321 LYS CG 12 0.000000 14.0270 0 - 2999 A4 321 LYS CD 12 0.000000 14.0270 0 - 3000 A4 321 LYS CE 12 0.250000 14.0270 0 - 3001 A4 321 LYS NZ 36 -0.300000 14.0067 0 - 3002 A4 321 LYS HZ1 2 0.350000 1.0080 0 - 3003 A4 321 LYS HZ2 2 0.350000 1.0080 0 - 3004 A4 321 LYS HZ3 2 0.350000 1.0080 0 - 3005 A4 321 LYS C 14 0.600000 12.0110 0 - 3006 A4 321 LYS O 40 -0.550000 15.9994 0 - 3007 A4 322 PHE N 32 -0.400000 14.0067 0 - 3008 A4 322 PHE H 1 0.250000 1.0080 0 - 3009 A4 322 PHE CA 11 0.100000 13.0190 0 - 3010 A4 322 PHE CB 12 0.000000 14.0270 0 - 3011 A4 322 PHE CG 22 0.000000 12.0110 0 - 3012 A4 322 PHE CD1 24 0.000000 13.0190 0 - 3013 A4 322 PHE CD2 24 0.000000 13.0190 0 - 3014 A4 322 PHE CE1 24 0.000000 13.0190 0 - 3015 A4 322 PHE CE2 24 0.000000 13.0190 0 - 3016 A4 322 PHE CZ 24 0.000000 13.0190 0 - 3017 A4 322 PHE C 14 0.600000 12.0110 0 - 3018 A4 322 PHE O 40 -0.550000 15.9994 0 - 3019 A4 323 ALA N 32 -0.400000 14.0067 0 - 3020 A4 323 ALA H 1 0.250000 1.0080 0 - 3021 A4 323 ALA CA 11 0.100000 13.0190 0 - 3022 A4 323 ALA CB 13 0.000000 15.0350 0 - 3023 A4 323 ALA C 14 0.600000 12.0110 0 - 3024 A4 323 ALA O 40 -0.550000 15.9994 0 - 3025 A4 324 ILE N 32 -0.400000 14.0067 0 - 3026 A4 324 ILE H 1 0.250000 1.0080 0 - 3027 A4 324 ILE CA 11 0.100000 13.0190 0 - 3028 A4 324 ILE CB 11 0.000000 13.0190 0 - 3029 A4 324 ILE CG2 13 0.000000 15.0350 0 - 3030 A4 324 ILE CG1 12 0.000000 14.0270 0 - 3031 A4 324 ILE CD1 13 0.000000 15.0350 0 - 3032 A4 324 ILE C 14 0.600000 12.0110 0 - 3033 A4 324 ILE O 40 -0.550000 15.9994 0 - 3034 A4 325 SER N 32 -0.400000 14.0067 0 - 3035 A4 325 SER H 1 0.250000 1.0080 0 - 3036 A4 325 SER CA 11 0.100000 13.0190 0 - 3037 A4 325 SER CB 12 0.250000 14.0270 0 - 3038 A4 325 SER OG 45 -0.650000 15.9994 0 - 3039 A4 325 SER HG 8 0.400000 1.0080 0 - 3040 A4 325 SER C 14 0.600000 12.0110 0 - 3041 A4 325 SER O 40 -0.550000 15.9994 0 - 3042 A4 326 GLN N 32 -0.400000 14.0067 0 - 3043 A4 326 GLN H 1 0.250000 1.0080 0 - 3044 A4 326 GLN CA 11 0.100000 13.0190 0 - 3045 A4 326 GLN CB 12 0.000000 14.0270 0 - 3046 A4 326 GLN CG 12 0.000000 14.0270 0 - 3047 A4 326 GLN CD 14 0.550000 12.0110 0 - 3048 A4 326 GLN OE1 40 -0.550000 15.9994 0 - 3049 A4 326 GLN NE2 32 -0.600000 14.0067 0 - 3050 A4 326 GLN HE21 1 0.300000 1.0080 0 - 3051 A4 326 GLN HE22 1 0.300000 1.0080 0 - 3052 A4 326 GLN C 14 0.600000 12.0110 0 - 3053 A4 326 GLN O 40 -0.550000 15.9994 0 - 3054 A4 327 SER N 32 -0.400000 14.0067 0 - 3055 A4 327 SER H 1 0.250000 1.0080 0 - 3056 A4 327 SER CA 11 0.100000 13.0190 0 - 3057 A4 327 SER CB 12 0.250000 14.0270 0 - 3058 A4 327 SER OG 45 -0.650000 15.9994 0 - 3059 A4 327 SER HG 8 0.400000 1.0080 0 - 3060 A4 327 SER C 14 0.600000 12.0110 0 - 3061 A4 327 SER O 40 -0.550000 15.9994 0 - 3062 A4 328 SER N 32 -0.400000 14.0067 0 - 3063 A4 328 SER H 1 0.250000 1.0080 0 - 3064 A4 328 SER CA 11 0.100000 13.0190 0 - 3065 A4 328 SER CB 12 0.250000 14.0270 0 - 3066 A4 328 SER OG 45 -0.650000 15.9994 0 - 3067 A4 328 SER HG 8 0.400000 1.0080 0 - 3068 A4 328 SER C 14 0.600000 12.0110 0 - 3069 A4 328 SER O 40 -0.550000 15.9994 0 - 3070 A4 329 THR N 32 -0.400000 14.0067 0 - 3071 A4 329 THR H 1 0.250000 1.0080 0 - 3072 A4 329 THR CA 11 0.100000 13.0190 0 - 3073 A4 329 THR CB 11 0.250000 13.0190 0 - 3074 A4 329 THR OG1 45 -0.650000 15.9994 0 - 3075 A4 329 THR HG1 8 0.400000 1.0080 0 - 3076 A4 329 THR CG2 13 0.000000 15.0350 0 - 3077 A4 329 THR C 14 0.600000 12.0110 0 - 3078 A4 329 THR O 40 -0.550000 15.9994 0 - 3079 A4 330 GLY N 32 -0.400000 14.0067 0 - 3080 A4 330 GLY H 1 0.250000 1.0080 0 - 3081 A4 330 GLY CA 12 0.100000 14.0270 0 - 3082 A4 330 GLY C 14 0.600000 12.0110 0 - 3083 A4 330 GLY O 40 -0.550000 15.9994 0 - 3084 A4 331 THR N 32 -0.400000 14.0067 0 - 3085 A4 331 THR H 1 0.250000 1.0080 0 - 3086 A4 331 THR CA 11 0.100000 13.0190 0 - 3087 A4 331 THR CB 11 0.250000 13.0190 0 - 3088 A4 331 THR OG1 45 -0.650000 15.9994 0 - 3089 A4 331 THR HG1 8 0.400000 1.0080 0 - 3090 A4 331 THR CG2 13 0.000000 15.0350 0 - 3091 A4 331 THR C 14 0.600000 12.0110 0 - 3092 A4 331 THR O 40 -0.550000 15.9994 0 - 3093 A4 332 VAL N 32 -0.400000 14.0067 0 - 3094 A4 332 VAL H 1 0.250000 1.0080 0 - 3095 A4 332 VAL CA 11 0.100000 13.0190 0 - 3096 A4 332 VAL CB 11 0.000000 13.0190 0 - 3097 A4 332 VAL CG1 13 0.000000 15.0350 0 - 3098 A4 332 VAL CG2 13 0.000000 15.0350 0 - 3099 A4 332 VAL C 14 0.600000 12.0110 0 - 3100 A4 332 VAL O 40 -0.550000 15.9994 0 - 3101 A4 333 MET N 32 -0.400000 14.0067 0 - 3102 A4 333 MET H 1 0.250000 1.0080 0 - 3103 A4 333 MET CA 11 0.100000 13.0190 0 - 3104 A4 333 MET CB 12 0.000000 14.0270 0 - 3105 A4 333 MET CG 12 0.060000 14.0270 0 - 3106 A4 333 MET SD 74 -0.120000 32.0600 0 - 3107 A4 333 MET CE 13 0.060000 15.0350 0 - 3108 A4 333 MET C 14 0.600000 12.0110 0 - 3109 A4 333 MET O 40 -0.550000 15.9994 0 - 3110 A4 334 GLY N 32 -0.400000 14.0067 0 - 3111 A4 334 GLY H 1 0.250000 1.0080 0 - 3112 A4 334 GLY CA 12 0.100000 14.0270 0 - 3113 A4 334 GLY C 14 0.600000 12.0110 0 - 3114 A4 334 GLY O 40 -0.550000 15.9994 0 - 3115 A4 335 ALA N 32 -0.400000 14.0067 0 - 3116 A4 335 ALA H 1 0.250000 1.0080 0 - 3117 A4 335 ALA CA 11 0.100000 13.0190 0 - 3118 A4 335 ALA CB 13 0.000000 15.0350 0 - 3119 A4 335 ALA C 14 0.600000 12.0110 0 - 3120 A4 335 ALA O 40 -0.550000 15.9994 0 - 3121 A4 336 VAL N 32 -0.400000 14.0067 0 - 3122 A4 336 VAL H 1 0.250000 1.0080 0 - 3123 A4 336 VAL CA 11 0.100000 13.0190 0 - 3124 A4 336 VAL CB 11 0.000000 13.0190 0 - 3125 A4 336 VAL CG1 13 0.000000 15.0350 0 - 3126 A4 336 VAL CG2 13 0.000000 15.0350 0 - 3127 A4 336 VAL C 14 0.600000 12.0110 0 - 3128 A4 336 VAL O 40 -0.550000 15.9994 0 - 3129 A4 337 ILE N 32 -0.400000 14.0067 0 - 3130 A4 337 ILE H 1 0.250000 1.0080 0 - 3131 A4 337 ILE CA 11 0.100000 13.0190 0 - 3132 A4 337 ILE CB 11 0.000000 13.0190 0 - 3133 A4 337 ILE CG2 13 0.000000 15.0350 0 - 3134 A4 337 ILE CG1 12 0.000000 14.0270 0 - 3135 A4 337 ILE CD1 13 0.000000 15.0350 0 - 3136 A4 337 ILE C 14 0.600000 12.0110 0 - 3137 A4 337 ILE O 40 -0.550000 15.9994 0 - 3138 A4 338 MET N 32 -0.400000 14.0067 0 - 3139 A4 338 MET H 1 0.250000 1.0080 0 - 3140 A4 338 MET CA 11 0.100000 13.0190 0 - 3141 A4 338 MET CB 12 0.000000 14.0270 0 - 3142 A4 338 MET CG 12 0.060000 14.0270 0 - 3143 A4 338 MET SD 74 -0.120000 32.0600 0 - 3144 A4 338 MET CE 13 0.060000 15.0350 0 - 3145 A4 338 MET C 14 0.600000 12.0110 0 - 3146 A4 338 MET O 40 -0.550000 15.9994 0 - 3147 A4 339 GLU N 32 -0.400000 14.0067 0 - 3148 A4 339 GLU H 1 0.250000 1.0080 0 - 3149 A4 339 GLU CA 11 0.100000 13.0190 0 - 3150 A4 339 GLU CB 12 0.000000 14.0270 0 - 3151 A4 339 GLU CG 12 0.000000 14.0270 0 - 3152 A4 339 GLU CD 14 0.140000 12.0110 0 - 3153 A4 339 GLU OE1 43 -0.570000 15.9994 0 - 3154 A4 339 GLU OE2 43 -0.570000 15.9994 0 - 3155 A4 339 GLU C 14 0.600000 12.0110 0 - 3156 A4 339 GLU O 40 -0.550000 15.9994 0 - 3157 A4 340 GLY N 32 -0.400000 14.0067 0 - 3158 A4 340 GLY H 1 0.250000 1.0080 0 - 3159 A4 340 GLY CA 12 0.100000 14.0270 0 - 3160 A4 340 GLY C 14 0.600000 12.0110 0 - 3161 A4 340 GLY O 40 -0.550000 15.9994 0 - 3162 A4 341 PHE N 32 -0.400000 14.0067 0 - 3163 A4 341 PHE H 1 0.250000 1.0080 0 - 3164 A4 341 PHE CA 11 0.100000 13.0190 0 - 3165 A4 341 PHE CB 12 0.000000 14.0270 0 - 3166 A4 341 PHE CG 22 0.000000 12.0110 0 - 3167 A4 341 PHE CD1 24 0.000000 13.0190 0 - 3168 A4 341 PHE CD2 24 0.000000 13.0190 0 - 3169 A4 341 PHE CE1 24 0.000000 13.0190 0 - 3170 A4 341 PHE CE2 24 0.000000 13.0190 0 - 3171 A4 341 PHE CZ 24 0.000000 13.0190 0 - 3172 A4 341 PHE C 14 0.600000 12.0110 0 - 3173 A4 341 PHE O 40 -0.550000 15.9994 0 - 3174 A4 342 TYR N 32 -0.400000 14.0067 0 - 3175 A4 342 TYR H 1 0.250000 1.0080 0 - 3176 A4 342 TYR CA 11 0.100000 13.0190 0 - 3177 A4 342 TYR CB 12 0.000000 14.0270 0 - 3178 A4 342 TYR CG 22 0.000000 12.0110 0 - 3179 A4 342 TYR CD1 24 0.000000 13.0190 0 - 3180 A4 342 TYR CE1 24 0.000000 13.0190 0 - 3181 A4 342 TYR CD2 24 0.000000 13.0190 0 - 3182 A4 342 TYR CE2 24 0.000000 13.0190 0 - 3183 A4 342 TYR CZ 22 0.250000 12.0110 0 - 3184 A4 342 TYR OH 45 -0.650000 15.9994 0 - 3185 A4 342 TYR HH 8 0.400000 1.0080 0 - 3186 A4 342 TYR C 14 0.600000 12.0110 0 - 3187 A4 342 TYR O 40 -0.550000 15.9994 0 - 3188 A4 343 VAL N 32 -0.400000 14.0067 0 - 3189 A4 343 VAL H 1 0.250000 1.0080 0 - 3190 A4 343 VAL CA 11 0.100000 13.0190 0 - 3191 A4 343 VAL CB 11 0.000000 13.0190 0 - 3192 A4 343 VAL CG1 13 0.000000 15.0350 0 - 3193 A4 343 VAL CG2 13 0.000000 15.0350 0 - 3194 A4 343 VAL C 14 0.600000 12.0110 0 - 3195 A4 343 VAL O 40 -0.550000 15.9994 0 - 3196 A4 344 VAL N 32 -0.400000 14.0067 0 - 3197 A4 344 VAL H 1 0.250000 1.0080 0 - 3198 A4 344 VAL CA 11 0.100000 13.0190 0 - 3199 A4 344 VAL CB 11 0.000000 13.0190 0 - 3200 A4 344 VAL CG1 13 0.000000 15.0350 0 - 3201 A4 344 VAL CG2 13 0.000000 15.0350 0 - 3202 A4 344 VAL C 14 0.600000 12.0110 0 - 3203 A4 344 VAL O 40 -0.550000 15.9994 0 - 3204 A4 345 PHE N 32 -0.400000 14.0067 0 - 3205 A4 345 PHE H 1 0.250000 1.0080 0 - 3206 A4 345 PHE CA 11 0.100000 13.0190 0 - 3207 A4 345 PHE CB 12 0.000000 14.0270 0 - 3208 A4 345 PHE CG 22 0.000000 12.0110 0 - 3209 A4 345 PHE CD1 24 0.000000 13.0190 0 - 3210 A4 345 PHE CD2 24 0.000000 13.0190 0 - 3211 A4 345 PHE CE1 24 0.000000 13.0190 0 - 3212 A4 345 PHE CE2 24 0.000000 13.0190 0 - 3213 A4 345 PHE CZ 24 0.000000 13.0190 0 - 3214 A4 345 PHE C 14 0.600000 12.0110 0 - 3215 A4 345 PHE O 40 -0.550000 15.9994 0 - 3216 A4 346 ASP N 32 -0.400000 14.0067 0 - 3217 A4 346 ASP H 1 0.250000 1.0080 0 - 3218 A4 346 ASP CA 11 0.100000 13.0190 0 - 3219 A4 346 ASP CB 12 0.000000 14.0270 0 - 3220 A4 346 ASP CG 14 0.140000 12.0110 0 - 3221 A4 346 ASP OD1 43 -0.570000 15.9994 0 - 3222 A4 346 ASP OD2 43 -0.570000 15.9994 0 - 3223 A4 346 ASP C 14 0.600000 12.0110 0 - 3224 A4 346 ASP O 40 -0.550000 15.9994 0 - 3225 A4 347 ARG N 32 -0.400000 14.0067 0 - 3226 A4 347 ARG H 1 0.250000 1.0080 0 - 3227 A4 347 ARG CA 11 0.100000 13.0190 0 - 3228 A4 347 ARG CB 12 0.000000 14.0270 0 - 3229 A4 347 ARG CG 12 0.000000 14.0270 0 - 3230 A4 347 ARG CD 12 0.100000 14.0270 0 - 3231 A4 347 ARG NE 32 -0.400000 14.0067 0 - 3232 A4 347 ARG HE 1 0.300000 1.0080 0 - 3233 A4 347 ARG CZ 14 0.500000 12.0110 0 - 3234 A4 347 ARG NH1 37 -0.450000 14.0067 0 - 3235 A4 347 ARG HH11 2 0.350000 1.0080 0 - 3236 A4 347 ARG HH12 2 0.350000 1.0080 0 - 3237 A4 347 ARG NH2 37 -0.450000 14.0067 0 - 3238 A4 347 ARG HH21 2 0.350000 1.0080 0 - 3239 A4 347 ARG HH22 2 0.350000 1.0080 0 - 3240 A4 347 ARG C 14 0.600000 12.0110 0 - 3241 A4 347 ARG O 40 -0.550000 15.9994 0 - 3242 A4 348 ALA N 32 -0.400000 14.0067 0 - 3243 A4 348 ALA H 1 0.250000 1.0080 0 - 3244 A4 348 ALA CA 11 0.100000 13.0190 0 - 3245 A4 348 ALA CB 13 0.000000 15.0350 0 - 3246 A4 348 ALA C 14 0.600000 12.0110 0 - 3247 A4 348 ALA O 40 -0.550000 15.9994 0 - 3248 A4 349 ARG N 32 -0.400000 14.0067 0 - 3249 A4 349 ARG H 1 0.250000 1.0080 0 - 3250 A4 349 ARG CA 11 0.100000 13.0190 0 - 3251 A4 349 ARG CB 12 0.000000 14.0270 0 - 3252 A4 349 ARG CG 12 0.000000 14.0270 0 - 3253 A4 349 ARG CD 12 0.100000 14.0270 0 - 3254 A4 349 ARG NE 32 -0.400000 14.0067 0 - 3255 A4 349 ARG HE 1 0.300000 1.0080 0 - 3256 A4 349 ARG CZ 14 0.500000 12.0110 0 - 3257 A4 349 ARG NH1 37 -0.450000 14.0067 0 - 3258 A4 349 ARG HH11 2 0.350000 1.0080 0 - 3259 A4 349 ARG HH12 2 0.350000 1.0080 0 - 3260 A4 349 ARG NH2 37 -0.450000 14.0067 0 - 3261 A4 349 ARG HH21 2 0.350000 1.0080 0 - 3262 A4 349 ARG HH22 2 0.350000 1.0080 0 - 3263 A4 349 ARG C 14 0.600000 12.0110 0 - 3264 A4 349 ARG O 40 -0.550000 15.9994 0 - 3265 A4 350 LYS N 32 -0.400000 14.0067 0 - 3266 A4 350 LYS H 1 0.250000 1.0080 0 - 3267 A4 350 LYS CA 11 0.100000 13.0190 0 - 3268 A4 350 LYS CB 12 0.000000 14.0270 0 - 3269 A4 350 LYS CG 12 0.000000 14.0270 0 - 3270 A4 350 LYS CD 12 0.000000 14.0270 0 - 3271 A4 350 LYS CE 12 0.250000 14.0270 0 - 3272 A4 350 LYS NZ 36 -0.300000 14.0067 0 - 3273 A4 350 LYS HZ1 2 0.350000 1.0080 0 - 3274 A4 350 LYS HZ2 2 0.350000 1.0080 0 - 3275 A4 350 LYS HZ3 2 0.350000 1.0080 0 - 3276 A4 350 LYS C 14 0.600000 12.0110 0 - 3277 A4 350 LYS O 40 -0.550000 15.9994 0 - 3278 A4 351 ARG N 32 -0.400000 14.0067 0 - 3279 A4 351 ARG H 1 0.250000 1.0080 0 - 3280 A4 351 ARG CA 11 0.100000 13.0190 0 - 3281 A4 351 ARG CB 12 0.000000 14.0270 0 - 3282 A4 351 ARG CG 12 0.000000 14.0270 0 - 3283 A4 351 ARG CD 12 0.100000 14.0270 0 - 3284 A4 351 ARG NE 32 -0.400000 14.0067 0 - 3285 A4 351 ARG HE 1 0.300000 1.0080 0 - 3286 A4 351 ARG CZ 14 0.500000 12.0110 0 - 3287 A4 351 ARG NH1 37 -0.450000 14.0067 0 - 3288 A4 351 ARG HH11 2 0.350000 1.0080 0 - 3289 A4 351 ARG HH12 2 0.350000 1.0080 0 - 3290 A4 351 ARG NH2 37 -0.450000 14.0067 0 - 3291 A4 351 ARG HH21 2 0.350000 1.0080 0 - 3292 A4 351 ARG HH22 2 0.350000 1.0080 0 - 3293 A4 351 ARG C 14 0.600000 12.0110 0 - 3294 A4 351 ARG O 40 -0.550000 15.9994 0 - 3295 A4 352 ILE N 32 -0.400000 14.0067 0 - 3296 A4 352 ILE H 1 0.250000 1.0080 0 - 3297 A4 352 ILE CA 11 0.100000 13.0190 0 - 3298 A4 352 ILE CB 11 0.000000 13.0190 0 - 3299 A4 352 ILE CG2 13 0.000000 15.0350 0 - 3300 A4 352 ILE CG1 12 0.000000 14.0270 0 - 3301 A4 352 ILE CD1 13 0.000000 15.0350 0 - 3302 A4 352 ILE C 14 0.600000 12.0110 0 - 3303 A4 352 ILE O 40 -0.550000 15.9994 0 - 3304 A4 353 GLY N 32 -0.400000 14.0067 0 - 3305 A4 353 GLY H 1 0.250000 1.0080 0 - 3306 A4 353 GLY CA 12 0.100000 14.0270 0 - 3307 A4 353 GLY C 14 0.600000 12.0110 0 - 3308 A4 353 GLY O 40 -0.550000 15.9994 0 - 3309 A4 354 PHE N 32 -0.400000 14.0067 0 - 3310 A4 354 PHE H 1 0.250000 1.0080 0 - 3311 A4 354 PHE CA 11 0.100000 13.0190 0 - 3312 A4 354 PHE CB 12 0.000000 14.0270 0 - 3313 A4 354 PHE CG 22 0.000000 12.0110 0 - 3314 A4 354 PHE CD1 24 0.000000 13.0190 0 - 3315 A4 354 PHE CD2 24 0.000000 13.0190 0 - 3316 A4 354 PHE CE1 24 0.000000 13.0190 0 - 3317 A4 354 PHE CE2 24 0.000000 13.0190 0 - 3318 A4 354 PHE CZ 24 0.000000 13.0190 0 - 3319 A4 354 PHE C 14 0.600000 12.0110 0 - 3320 A4 354 PHE O 40 -0.550000 15.9994 0 - 3321 A4 355 ALA N 32 -0.400000 14.0067 0 - 3322 A4 355 ALA H 1 0.250000 1.0080 0 - 3323 A4 355 ALA CA 11 0.100000 13.0190 0 - 3324 A4 355 ALA CB 13 0.000000 15.0350 0 - 3325 A4 355 ALA C 14 0.600000 12.0110 0 - 3326 A4 355 ALA O 40 -0.550000 15.9994 0 - 3327 A4 356 VAL N 32 -0.400000 14.0067 0 - 3328 A4 356 VAL H 1 0.250000 1.0080 0 - 3329 A4 356 VAL CA 11 0.100000 13.0190 0 - 3330 A4 356 VAL CB 11 0.000000 13.0190 0 - 3331 A4 356 VAL CG1 13 0.000000 15.0350 0 - 3332 A4 356 VAL CG2 13 0.000000 15.0350 0 - 3333 A4 356 VAL C 14 0.600000 12.0110 0 - 3334 A4 356 VAL O 40 -0.550000 15.9994 0 - 3335 A4 357 SER N 32 -0.400000 14.0067 0 - 3336 A4 357 SER H 1 0.250000 1.0080 0 - 3337 A4 357 SER CA 11 0.100000 13.0190 0 - 3338 A4 357 SER CB 12 0.250000 14.0270 0 - 3339 A4 357 SER OG 45 -0.650000 15.9994 0 - 3340 A4 357 SER HG 8 0.400000 1.0080 0 - 3341 A4 357 SER C 14 0.600000 12.0110 0 - 3342 A4 357 SER O 40 -0.550000 15.9994 0 - 3343 A4 358 ALA N 32 -0.400000 14.0067 0 - 3344 A4 358 ALA H 1 0.250000 1.0080 0 - 3345 A4 358 ALA CA 11 0.100000 13.0190 0 - 3346 A4 358 ALA CB 13 0.000000 15.0350 0 - 3347 A4 358 ALA C 14 0.600000 12.0110 0 - 3348 A4 358 ALA O 40 -0.550000 15.9994 0 - 3349 A4 359 CYS N 32 -0.400000 14.0067 0 - 3350 A4 359 CYS H 1 0.250000 1.0080 0 - 3351 A4 359 CYS CA 11 0.100000 13.0190 0 - 3352 A4 359 CYS CB 12 0.190000 14.0270 0 - 3353 A4 359 CYS SG 70 -0.190000 32.0600 0 - 3354 A4 359 CYS C 14 0.600000 12.0110 0 - 3355 A4 359 CYS O 40 -0.550000 15.9994 0 - 3356 A4 360 HIS N 32 -0.400000 14.0067 0 - 3357 A4 360 HIS H 1 0.250000 1.0080 0 - 3358 A4 360 HIS CA 11 0.100000 13.0190 0 - 3359 A4 360 HIS CB 12 0.000000 14.0270 0 - 3360 A4 360 HIS CG 21 0.100000 12.0110 0 - 3361 A4 360 HIS ND1 34 -0.400000 14.0067 0 - 3362 A4 360 HIS HD1 1 0.300000 1.0080 0 - 3363 A4 360 HIS CD2 23 0.100000 13.0190 0 - 3364 A4 360 HIS NE2 34 -0.400000 14.0067 0 - 3365 A4 360 HIS CE1 23 0.300000 13.0190 0 - 3366 A4 360 HIS C 14 0.600000 12.0110 0 - 3367 A4 360 HIS O 40 -0.550000 15.9994 0 - 3368 A4 361 VAL N 32 -0.400000 14.0067 0 - 3369 A4 361 VAL H 1 0.250000 1.0080 0 - 3370 A4 361 VAL CA 11 0.100000 13.0190 0 - 3371 A4 361 VAL CB 11 0.000000 13.0190 0 - 3372 A4 361 VAL CG1 13 0.000000 15.0350 0 - 3373 A4 361 VAL CG2 13 0.000000 15.0350 0 - 3374 A4 361 VAL C 14 0.600000 12.0110 0 - 3375 A4 361 VAL O 40 -0.550000 15.9994 0 - 3376 A4 362 HIS N 32 -0.400000 14.0067 0 - 3377 A4 362 HIS H 1 0.250000 1.0080 0 - 3378 A4 362 HIS CA 11 0.100000 13.0190 0 - 3379 A4 362 HIS CB 12 0.000000 14.0270 0 - 3380 A4 362 HIS CG 21 0.100000 12.0110 0 - 3381 A4 362 HIS ND1 34 -0.400000 14.0067 0 - 3382 A4 362 HIS HD1 1 0.300000 1.0080 0 - 3383 A4 362 HIS CD2 23 0.100000 13.0190 0 - 3384 A4 362 HIS NE2 34 -0.400000 14.0067 0 - 3385 A4 362 HIS CE1 23 0.300000 13.0190 0 - 3386 A4 362 HIS C 14 0.600000 12.0110 0 - 3387 A4 362 HIS O 40 -0.550000 15.9994 0 - 3388 A4 363 ASP N 32 -0.400000 14.0067 0 - 3389 A4 363 ASP H 1 0.250000 1.0080 0 - 3390 A4 363 ASP CA 11 0.100000 13.0190 0 - 3391 A4 363 ASP CB 12 0.000000 14.0270 0 - 3392 A4 363 ASP CG 14 0.140000 12.0110 0 - 3393 A4 363 ASP OD1 43 -0.570000 15.9994 0 - 3394 A4 363 ASP OD2 43 -0.570000 15.9994 0 - 3395 A4 363 ASP C 14 0.600000 12.0110 0 - 3396 A4 363 ASP O 40 -0.550000 15.9994 0 - 3397 A4 364 GLU N 32 -0.400000 14.0067 0 - 3398 A4 364 GLU H 1 0.250000 1.0080 0 - 3399 A4 364 GLU CA 11 0.100000 13.0190 0 - 3400 A4 364 GLU CB 12 0.000000 14.0270 0 - 3401 A4 364 GLU CG 12 0.000000 14.0270 0 - 3402 A4 364 GLU CD 14 0.140000 12.0110 0 - 3403 A4 364 GLU OE1 43 -0.570000 15.9994 0 - 3404 A4 364 GLU OE2 43 -0.570000 15.9994 0 - 3405 A4 364 GLU C 14 0.600000 12.0110 0 - 3406 A4 364 GLU O 40 -0.550000 15.9994 0 - 3407 A4 365 PHE N 32 -0.400000 14.0067 0 - 3408 A4 365 PHE H 1 0.250000 1.0080 0 - 3409 A4 365 PHE CA 11 0.100000 13.0190 0 - 3410 A4 365 PHE CB 12 0.000000 14.0270 0 - 3411 A4 365 PHE CG 22 0.000000 12.0110 0 - 3412 A4 365 PHE CD1 24 0.000000 13.0190 0 - 3413 A4 365 PHE CD2 24 0.000000 13.0190 0 - 3414 A4 365 PHE CE1 24 0.000000 13.0190 0 - 3415 A4 365 PHE CE2 24 0.000000 13.0190 0 - 3416 A4 365 PHE CZ 24 0.000000 13.0190 0 - 3417 A4 365 PHE C 14 0.600000 12.0110 0 - 3418 A4 365 PHE O 40 -0.550000 15.9994 0 - 3419 A4 366 ARG N 32 -0.400000 14.0067 0 - 3420 A4 366 ARG H 1 0.250000 1.0080 0 - 3421 A4 366 ARG CA 11 0.100000 13.0190 0 - 3422 A4 366 ARG CB 12 0.000000 14.0270 0 - 3423 A4 366 ARG CG 12 0.000000 14.0270 0 - 3424 A4 366 ARG CD 12 0.100000 14.0270 0 - 3425 A4 366 ARG NE 32 -0.400000 14.0067 0 - 3426 A4 366 ARG HE 1 0.300000 1.0080 0 - 3427 A4 366 ARG CZ 14 0.500000 12.0110 0 - 3428 A4 366 ARG NH1 37 -0.450000 14.0067 0 - 3429 A4 366 ARG HH11 2 0.350000 1.0080 0 - 3430 A4 366 ARG HH12 2 0.350000 1.0080 0 - 3431 A4 366 ARG NH2 37 -0.450000 14.0067 0 - 3432 A4 366 ARG HH21 2 0.350000 1.0080 0 - 3433 A4 366 ARG HH22 2 0.350000 1.0080 0 - 3434 A4 366 ARG C 14 0.600000 12.0110 0 - 3435 A4 366 ARG O 40 -0.550000 15.9994 0 - 3436 A4 367 THR N 32 -0.400000 14.0067 0 - 3437 A4 367 THR H 1 0.250000 1.0080 0 - 3438 A4 367 THR CA 11 0.100000 13.0190 0 - 3439 A4 367 THR CB 11 0.250000 13.0190 0 - 3440 A4 367 THR OG1 45 -0.650000 15.9994 0 - 3441 A4 367 THR HG1 8 0.400000 1.0080 0 - 3442 A4 367 THR CG2 13 0.000000 15.0350 0 - 3443 A4 367 THR C 14 0.600000 12.0110 0 - 3444 A4 367 THR O 40 -0.550000 15.9994 0 - 3445 A4 368 ALA N 32 -0.400000 14.0067 0 - 3446 A4 368 ALA H 1 0.250000 1.0080 0 - 3447 A4 368 ALA CA 11 0.100000 13.0190 0 - 3448 A4 368 ALA CB 13 0.000000 15.0350 0 - 3449 A4 368 ALA C 14 0.600000 12.0110 0 - 3450 A4 368 ALA O 40 -0.550000 15.9994 0 - 3451 A4 369 ALA N 32 -0.400000 14.0067 0 - 3452 A4 369 ALA H 1 0.250000 1.0080 0 - 3453 A4 369 ALA CA 11 0.100000 13.0190 0 - 3454 A4 369 ALA CB 13 0.000000 15.0350 0 - 3455 A4 369 ALA C 14 0.600000 12.0110 0 - 3456 A4 369 ALA O 40 -0.550000 15.9994 0 - 3457 A4 370 VAL N 32 -0.400000 14.0067 0 - 3458 A4 370 VAL H 1 0.250000 1.0080 0 - 3459 A4 370 VAL CA 11 0.100000 13.0190 0 - 3460 A4 370 VAL CB 11 0.000000 13.0190 0 - 3461 A4 370 VAL CG1 13 0.000000 15.0350 0 - 3462 A4 370 VAL CG2 13 0.000000 15.0350 0 - 3463 A4 370 VAL C 14 0.600000 12.0110 0 - 3464 A4 370 VAL O 40 -0.550000 15.9994 0 - 3465 A4 371 GLU N 32 -0.400000 14.0067 0 - 3466 A4 371 GLU H 1 0.250000 1.0080 0 - 3467 A4 371 GLU CA 11 0.100000 13.0190 0 - 3468 A4 371 GLU CB 12 0.000000 14.0270 0 - 3469 A4 371 GLU CG 12 0.000000 14.0270 0 - 3470 A4 371 GLU CD 14 0.140000 12.0110 0 - 3471 A4 371 GLU OE1 43 -0.570000 15.9994 0 - 3472 A4 371 GLU OE2 43 -0.570000 15.9994 0 - 3473 A4 371 GLU C 14 0.600000 12.0110 0 - 3474 A4 371 GLU O 40 -0.550000 15.9994 0 - 3475 A4 372 GLY N 32 -0.400000 14.0067 0 - 3476 A4 372 GLY H 1 0.250000 1.0080 0 - 3477 A4 372 GLY CA 12 0.100000 14.0270 0 - 3478 A4 372 GLY C 14 0.600000 12.0110 0 - 3479 A4 372 GLY O 40 -0.550000 15.9994 0 - 3480 A4 373 PRO N 33 -0.250000 14.0067 0 - 3481 A4 373 PRO CD 12 0.100000 14.0270 0 - 3482 A4 373 PRO CA 11 0.100000 13.0190 0 - 3483 A4 373 PRO CB 12 0.000000 14.0270 0 - 3484 A4 373 PRO CG 12 0.000000 14.0270 0 - 3485 A4 373 PRO C 14 0.600000 12.0110 0 - 3486 A4 373 PRO O 40 -0.550000 15.9994 0 - 3487 A4 374 PHE N 32 -0.400000 14.0067 0 - 3488 A4 374 PHE H 1 0.250000 1.0080 0 - 3489 A4 374 PHE CA 11 0.100000 13.0190 0 - 3490 A4 374 PHE CB 12 0.000000 14.0270 0 - 3491 A4 374 PHE CG 22 0.000000 12.0110 0 - 3492 A4 374 PHE CD1 24 0.000000 13.0190 0 - 3493 A4 374 PHE CD2 24 0.000000 13.0190 0 - 3494 A4 374 PHE CE1 24 0.000000 13.0190 0 - 3495 A4 374 PHE CE2 24 0.000000 13.0190 0 - 3496 A4 374 PHE CZ 24 0.000000 13.0190 0 - 3497 A4 374 PHE C 14 0.600000 12.0110 0 - 3498 A4 374 PHE O 40 -0.550000 15.9994 0 - 3499 A4 375 VAL N 32 -0.400000 14.0067 0 - 3500 A4 375 VAL H 1 0.250000 1.0080 0 - 3501 A4 375 VAL CA 11 0.100000 13.0190 0 - 3502 A4 375 VAL CB 11 0.000000 13.0190 0 - 3503 A4 375 VAL CG1 13 0.000000 15.0350 0 - 3504 A4 375 VAL CG2 13 0.000000 15.0350 0 - 3505 A4 375 VAL C 14 0.600000 12.0110 0 - 3506 A4 375 VAL O 40 -0.550000 15.9994 0 - 3507 A4 376 THR N 32 -0.400000 14.0067 0 - 3508 A4 376 THR H 1 0.250000 1.0080 0 - 3509 A4 376 THR CA 11 0.100000 13.0190 0 - 3510 A4 376 THR CB 11 0.250000 13.0190 0 - 3511 A4 376 THR OG1 45 -0.650000 15.9994 0 - 3512 A4 376 THR HG1 8 0.400000 1.0080 0 - 3513 A4 376 THR CG2 13 0.000000 15.0350 0 - 3514 A4 376 THR C 14 0.600000 12.0110 0 - 3515 A4 376 THR O 40 -0.550000 15.9994 0 - 3516 A4 377 LEU N 32 -0.400000 14.0067 0 - 3517 A4 377 LEU H 1 0.250000 1.0080 0 - 3518 A4 377 LEU CA 11 0.100000 13.0190 0 - 3519 A4 377 LEU CB 12 0.000000 14.0270 0 - 3520 A4 377 LEU CG 11 0.000000 13.0190 0 - 3521 A4 377 LEU CD1 13 0.000000 15.0350 0 - 3522 A4 377 LEU CD2 13 0.000000 15.0350 0 - 3523 A4 377 LEU C 14 0.600000 12.0110 0 - 3524 A4 377 LEU O 40 -0.550000 15.9994 0 - 3525 A4 378 ASP N 32 -0.400000 14.0067 0 - 3526 A4 378 ASP H 1 0.250000 1.0080 0 - 3527 A4 378 ASP CA 11 0.100000 13.0190 0 - 3528 A4 378 ASP CB 12 0.000000 14.0270 0 - 3529 A4 378 ASP CG 14 0.140000 12.0110 0 - 3530 A4 378 ASP OD1 43 -0.570000 15.9994 0 - 3531 A4 378 ASP OD2 43 -0.570000 15.9994 0 - 3532 A4 378 ASP C 14 0.600000 12.0110 0 - 3533 A4 378 ASP O 40 -0.550000 15.9994 0 - 3534 A4 379 MET N 32 -0.400000 14.0067 0 - 3535 A4 379 MET H 1 0.250000 1.0080 0 - 3536 A4 379 MET CA 11 0.100000 13.0190 0 - 3537 A4 379 MET CB 12 0.000000 14.0270 0 - 3538 A4 379 MET CG 12 0.060000 14.0270 0 - 3539 A4 379 MET SD 74 -0.120000 32.0600 0 - 3540 A4 379 MET CE 13 0.060000 15.0350 0 - 3541 A4 379 MET C 14 0.600000 12.0110 0 - 3542 A4 379 MET O 40 -0.550000 15.9994 0 - 3543 A4 380 GLU N 32 -0.400000 14.0067 0 - 3544 A4 380 GLU H 1 0.250000 1.0080 0 - 3545 A4 380 GLU CA 11 0.100000 13.0190 0 - 3546 A4 380 GLU CB 12 0.000000 14.0270 0 - 3547 A4 380 GLU CG 12 0.000000 14.0270 0 - 3548 A4 380 GLU CD 14 0.140000 12.0110 0 - 3549 A4 380 GLU OE1 43 -0.570000 15.9994 0 - 3550 A4 380 GLU OE2 43 -0.570000 15.9994 0 - 3551 A4 380 GLU C 14 0.600000 12.0110 0 - 3552 A4 380 GLU O 40 -0.550000 15.9994 0 - 3553 A4 381 ASP N 32 -0.400000 14.0067 0 - 3554 A4 381 ASP H 1 0.250000 1.0080 0 - 3555 A4 381 ASP CA 11 0.100000 13.0190 0 - 3556 A4 381 ASP CB 12 0.000000 14.0270 0 - 3557 A4 381 ASP CG 14 0.140000 12.0110 0 - 3558 A4 381 ASP OD1 43 -0.570000 15.9994 0 - 3559 A4 381 ASP OD2 43 -0.570000 15.9994 0 - 3560 A4 381 ASP C 14 0.600000 12.0110 0 - 3561 A4 381 ASP O 40 -0.550000 15.9994 0 - 3562 A4 382 CYS N 32 -0.400000 14.0067 0 - 3563 A4 382 CYS H 1 0.250000 1.0080 0 - 3564 A4 382 CYS CA 11 0.100000 13.0190 0 - 3565 A4 382 CYS CB 12 0.190000 14.0270 0 - 3566 A4 382 CYS SG 70 -0.190000 32.0600 0 - 3567 A4 382 CYS C 14 0.600000 12.0110 0 - 3568 A4 382 CYS O 40 -0.550000 15.9994 0 - 3569 A4 383 GLY N 32 -0.400000 14.0067 0 - 3570 A4 383 GLY H 1 0.250000 1.0080 0 - 3571 A4 383 GLY CA 12 0.100000 14.0270 0 - 3572 A4 383 GLY C 14 0.600000 12.0110 0 - 3573 A4 383 GLY O 40 -0.550000 15.9994 0 - 3574 A4 384 TYR N 32 -0.400000 14.0067 0 - 3575 A4 384 TYR H 1 0.250000 1.0080 0 - 3576 A4 384 TYR CA 11 0.100000 13.0190 0 - 3577 A4 384 TYR CB 12 0.000000 14.0270 0 - 3578 A4 384 TYR CG 22 0.000000 12.0110 0 - 3579 A4 384 TYR CD1 24 0.000000 13.0190 0 - 3580 A4 384 TYR CE1 24 0.000000 13.0190 0 - 3581 A4 384 TYR CD2 24 0.000000 13.0190 0 - 3582 A4 384 TYR CE2 24 0.000000 13.0190 0 - 3583 A4 384 TYR CZ 22 0.250000 12.0110 0 - 3584 A4 384 TYR OH 45 -0.650000 15.9994 0 - 3585 A4 384 TYR HH 8 0.400000 1.0080 0 - 3586 A4 384 TYR C 14 0.600000 12.0110 0 - 3587 A4 384 TYR O 40 -0.550000 15.9994 0 - 3588 A4 385 ASN N 32 -0.400000 14.0067 0 - 3589 A4 385 ASN H 1 0.250000 1.0080 0 - 3590 A4 385 ASN CA 11 0.100000 13.0190 0 - 3591 A4 385 ASN CB 12 0.000000 14.0270 0 - 3592 A4 385 ASN CG 14 0.550000 12.0110 0 - 3593 A4 385 ASN OD1 40 -0.550000 15.9994 0 - 3594 A4 385 ASN ND2 32 -0.600000 14.0067 0 - 3595 A4 385 ASN HD21 1 0.300000 1.0080 0 - 3596 A4 385 ASN HD22 1 0.300000 1.0080 0 - 3597 A4 385 ASN C 14 0.600000 12.0110 0 - 3598 A4 385 ASN O 40 -0.550000 15.9994 0 - - 3673 !NBOND: bonds - 1 3 1 2 3 9 3 4 - 4 5 5 6 6 7 6 8 - 9 11 9 10 11 13 11 12 - 13 18 13 14 14 15 15 16 - 16 17 18 20 18 19 20 22 - 20 21 22 26 22 23 23 24 - 23 25 26 28 26 27 28 30 - 28 29 30 35 30 31 31 32 - 32 33 32 34 35 37 35 36 - 37 39 37 38 39 46 39 40 - 40 41 41 42 41 43 43 44 - 43 45 46 48 46 47 48 50 - 48 49 50 55 50 51 51 52 - 52 53 52 54 55 57 55 56 - 57 59 57 58 59 72 59 60 - 60 61 61 62 62 63 63 64 - 63 65 65 66 65 69 66 67 - 66 68 69 70 69 71 72 74 - 72 73 74 76 74 75 76 77 - 77 79 77 78 79 81 79 80 - 81 90 81 82 82 83 83 84 - 84 85 85 86 86 87 86 88 - 86 89 90 92 90 91 92 94 - 92 93 94 98 94 95 95 96 - 96 97 98 100 98 99 100 102 - 100 101 102 103 103 105 103 104 - 105 107 105 106 107 115 107 108 - 108 109 109 110 110 111 110 112 - 112 113 112 114 115 117 115 116 - 117 119 117 118 119 120 120 122 - 120 121 122 124 122 123 124 134 - 124 125 125 126 126 127 126 129 - 127 128 128 131 129 130 130 131 - 131 132 132 133 134 136 134 135 - 136 138 136 137 138 148 138 139 - 139 140 140 141 140 143 141 142 - 142 145 143 144 144 145 145 146 - 146 147 148 150 148 149 150 152 - 150 151 152 156 152 153 153 154 - 153 155 156 158 156 157 158 160 - 158 159 160 166 160 161 161 162 - 162 163 163 164 163 165 166 168 - 166 167 168 170 168 169 170 175 - 170 171 171 172 172 173 173 174 - 175 177 175 176 177 179 177 178 - 179 184 179 180 180 181 180 183 - 181 182 184 186 184 185 186 188 - 186 187 188 192 188 189 189 190 - 189 191 192 194 192 193 194 196 - 194 195 196 197 197 199 197 198 - 199 201 199 200 201 205 201 202 - 202 203 203 204 205 207 205 206 - 207 209 207 208 209 212 209 210 - 210 211 211 208 212 214 212 213 - 214 216 214 215 216 219 216 217 - 217 218 218 215 219 221 219 220 - 221 223 221 222 223 231 223 224 - 224 225 225 226 226 227 226 228 - 228 229 228 230 231 233 231 232 - 233 235 233 234 235 240 235 236 - 236 237 236 239 237 238 240 242 - 240 241 242 244 242 243 244 249 - 244 245 245 246 246 247 246 248 - 249 251 249 250 251 253 251 252 - 253 260 253 254 254 255 255 256 - 255 257 257 258 257 259 260 262 - 260 261 262 264 262 263 264 269 - 264 265 265 267 265 266 267 268 - 269 271 269 270 271 273 271 272 - 273 278 273 274 274 275 275 276 - 275 277 278 280 278 279 280 282 - 280 281 282 286 282 283 283 284 - 283 285 286 288 286 287 288 290 - 288 289 290 295 290 291 291 292 - 292 293 292 294 295 297 295 296 - 297 299 297 298 299 304 299 300 - 300 301 300 303 301 302 304 306 - 304 305 306 308 306 307 308 309 - 309 311 309 310 311 313 311 312 - 313 317 313 314 314 315 315 316 - 317 319 317 318 319 321 319 320 - 321 325 321 322 322 323 323 324 - 325 327 325 326 327 329 327 328 - 329 336 329 330 330 331 331 332 - 331 333 333 334 333 335 336 338 - 336 337 338 340 338 339 340 348 - 340 341 341 342 342 343 342 344 - 343 345 344 346 345 347 346 347 - 348 350 348 349 350 352 350 351 - 352 354 352 353 354 356 354 355 - 356 358 356 357 358 362 358 359 - 359 360 359 361 362 364 362 363 - 364 366 364 365 366 367 367 369 - 367 368 369 371 369 370 371 373 - 371 372 373 375 373 374 375 377 - 375 376 377 379 377 378 379 381 - 379 380 381 383 381 382 383 386 - 383 384 384 385 385 382 386 388 - 386 387 388 390 388 389 390 398 - 390 391 391 392 392 393 392 395 - 393 394 393 397 395 396 397 396 - 398 400 398 399 400 402 400 401 - 402 406 402 403 403 404 404 405 - 406 407 408 410 408 409 410 413 - 410 411 411 412 412 409 413 415 - 413 414 415 417 415 416 417 425 - 417 418 418 419 419 420 419 421 - 420 422 421 423 422 424 423 424 - 425 426 427 429 427 428 429 437 - 429 430 430 431 431 432 431 433 - 432 434 433 435 434 436 435 436 - 437 439 437 438 439 441 439 440 - 441 445 441 442 442 443 442 444 - 445 446 447 449 447 448 449 454 - 449 450 450 451 451 452 451 453 - 454 456 454 455 456 458 456 457 - 458 466 458 459 459 460 460 461 - 460 463 461 462 461 465 463 464 - 465 464 466 468 466 467 468 470 - 468 469 470 483 470 471 471 472 - 472 473 473 474 474 475 474 476 - 476 477 476 480 477 478 477 479 - 480 481 480 482 483 485 483 484 - 485 487 485 486 487 497 487 488 - 488 489 489 490 489 492 490 491 - 491 494 492 493 493 494 494 495 - 495 496 497 499 497 498 499 501 - 499 500 501 511 501 502 502 503 - 503 504 503 506 504 505 505 508 - 506 507 507 508 508 509 509 510 - 511 513 511 512 513 515 513 514 - 515 523 515 516 516 517 517 518 - 518 519 518 520 520 521 520 522 - 523 525 523 524 525 527 525 526 - 527 540 527 528 528 529 529 530 - 530 531 531 532 531 533 533 534 - 533 537 534 535 534 536 537 538 - 537 539 540 542 540 541 542 544 - 542 543 544 552 544 545 545 546 - 546 547 547 548 547 549 549 550 - 549 551 552 554 552 553 554 556 - 554 555 556 561 556 557 557 558 - 558 559 558 560 561 563 561 562 - 563 565 563 564 565 569 565 566 - 566 567 567 568 569 571 569 570 - 571 573 571 572 573 577 573 574 - 574 575 575 576 577 579 577 578 - 579 581 579 580 581 586 581 582 - 582 583 582 585 583 584 586 588 - 586 587 588 590 588 589 590 600 - 590 591 591 592 592 593 592 595 - 593 594 594 597 595 596 596 597 - 597 598 598 599 600 602 600 601 - 602 604 602 603 604 617 604 605 - 605 606 606 607 607 608 608 609 - 608 610 610 611 610 614 611 612 - 611 613 614 615 614 616 617 619 - 617 618 619 621 619 620 621 626 - 621 622 622 623 623 624 623 625 - 626 628 626 627 628 630 628 629 - 630 635 630 631 631 632 632 633 - 632 634 635 637 635 636 637 639 - 637 638 639 652 639 640 640 641 - 641 642 642 643 643 644 643 645 - 645 646 645 649 646 647 646 648 - 649 650 649 651 652 654 652 653 - 654 656 654 655 656 665 656 657 - 657 658 658 659 659 660 660 661 - 661 662 661 663 661 664 665 667 - 665 666 667 669 667 668 669 670 - 670 672 670 671 672 674 672 673 - 674 678 674 675 675 676 675 677 - 678 680 678 679 680 682 680 681 - 682 692 682 683 683 684 684 685 - 684 687 685 686 686 689 687 688 - 688 689 689 690 690 691 692 694 - 692 693 694 696 694 695 696 700 - 696 697 697 698 697 699 700 702 - 700 701 702 704 702 703 704 707 - 704 705 705 706 706 703 707 709 - 707 708 709 711 709 710 711 721 - 711 712 712 713 713 714 713 716 - 714 715 715 718 716 717 717 718 - 718 719 719 720 721 723 721 722 - 723 725 723 724 725 730 725 726 - 726 727 726 729 727 728 730 732 - 730 731 732 734 732 733 734 742 - 734 735 735 736 736 737 737 738 - 737 739 739 740 739 741 742 744 - 742 743 744 746 744 745 746 747 - 747 749 747 748 749 751 749 750 - 751 760 751 752 752 753 753 754 - 754 755 755 756 756 757 756 758 - 756 759 760 762 760 761 762 764 - 762 763 764 776 764 765 765 766 - 766 770 766 767 767 768 767 769 - 768 773 769 774 770 771 771 772 - 771 768 773 775 774 775 776 778 - 776 777 778 780 778 779 780 786 - 780 781 781 782 782 783 783 784 - 783 785 786 788 786 787 788 790 - 788 789 790 791 791 793 791 792 - 793 795 793 794 795 801 795 796 - 796 797 797 798 798 799 798 800 - 801 803 801 802 803 805 803 804 - 805 810 805 806 806 807 807 808 - 807 809 810 812 810 811 812 814 - 812 813 814 815 815 817 815 816 - 817 819 817 818 819 824 819 820 - 820 821 820 823 821 822 824 826 - 824 825 826 828 826 827 828 833 - 828 829 829 830 830 831 830 832 - 833 835 833 834 835 837 835 836 - 837 842 837 838 838 839 839 840 - 839 841 842 844 842 843 844 846 - 844 845 846 850 846 847 847 848 - 847 849 850 852 850 851 852 854 - 852 853 854 858 854 855 855 856 - 856 857 858 860 858 859 860 862 - 860 861 862 867 862 863 863 865 - 863 864 865 866 867 869 867 868 - 869 871 869 870 871 874 871 872 - 872 873 873 870 874 876 874 875 - 876 878 876 877 878 886 878 879 - 879 880 880 881 880 883 881 882 - 881 885 883 884 885 884 886 888 - 886 887 888 890 888 889 890 891 - 891 893 891 892 893 895 893 894 - 895 898 895 896 896 897 897 894 - 898 900 898 899 900 902 900 901 - 902 909 902 903 903 904 904 905 - 904 906 906 907 906 908 909 911 - 909 910 911 913 911 912 913 917 - 913 914 914 915 914 916 917 919 - 917 918 919 921 919 920 921 926 - 921 922 922 923 922 925 923 924 - 926 928 926 927 928 930 928 929 - 930 934 930 931 931 932 931 933 - 934 936 934 935 936 938 936 937 - 938 951 938 939 939 940 940 941 - 941 942 942 943 942 944 944 945 - 944 948 945 946 945 947 948 949 - 948 950 951 953 951 952 953 955 - 953 954 955 957 955 956 957 959 - 957 958 959 961 959 960 961 968 - 961 962 962 963 963 964 963 965 - 965 966 965 967 968 970 968 969 - 970 972 970 971 972 977 972 973 - 973 975 973 974 975 976 977 979 - 977 978 979 981 979 980 981 983 - 981 982 983 985 983 984 985 987 - 985 986 987 989 987 988 989 991 - 989 990 991 993 991 992 993 998 - 993 994 994 996 994 995 996 997 - 998 1000 998 999 1000 1002 1000 1001 - 1002 1007 1002 1003 1003 1004 1003 1006 - 1004 1005 1007 1009 1007 1008 1009 1011 - 1009 1010 1011 1017 1011 1012 1012 1013 - 1013 1014 1014 1015 1014 1016 1017 1019 - 1017 1018 1019 1021 1019 1020 1021 1025 - 1021 1022 1022 1023 1023 1024 1025 1027 - 1025 1026 1027 1029 1027 1028 1029 1034 - 1029 1030 1030 1031 1031 1032 1031 1033 - 1034 1036 1034 1035 1036 1038 1036 1037 - 1038 1047 1038 1039 1039 1040 1040 1041 - 1041 1042 1042 1043 1043 1044 1043 1045 - 1043 1046 1047 1049 1047 1048 1049 1051 - 1049 1050 1051 1059 1051 1052 1052 1053 - 1053 1054 1053 1055 1054 1056 1055 1057 - 1056 1058 1057 1058 1059 1061 1059 1060 - 1061 1063 1061 1062 1063 1071 1063 1064 - 1064 1065 1065 1066 1065 1067 1066 1068 - 1067 1069 1068 1070 1069 1070 1071 1073 - 1071 1072 1073 1075 1073 1074 1075 1080 - 1075 1076 1076 1078 1076 1077 1078 1079 - 1080 1082 1080 1081 1082 1084 1082 1083 - 1084 1091 1084 1085 1085 1086 1086 1087 - 1086 1088 1088 1089 1088 1090 1091 1093 - 1091 1092 1093 1095 1093 1094 1095 1096 - 1096 1098 1096 1097 1098 1100 1098 1099 - 1100 1104 1100 1101 1101 1102 1102 1103 - 1104 1106 1104 1105 1106 1108 1106 1107 - 1108 1115 1108 1109 1109 1110 1110 1111 - 1110 1112 1112 1113 1112 1114 1115 1117 - 1115 1116 1117 1119 1117 1118 1119 1131 - 1119 1120 1120 1121 1121 1125 1121 1122 - 1122 1123 1122 1124 1123 1128 1124 1129 - 1125 1126 1126 1127 1126 1123 1128 1130 - 1129 1130 1131 1133 1131 1132 1133 1135 - 1133 1134 1135 1141 1135 1136 1136 1137 - 1137 1138 1138 1139 1138 1140 1141 1143 - 1141 1142 1143 1145 1143 1144 1145 1146 - 1146 1148 1146 1147 1148 1150 1148 1149 - 1150 1155 1150 1151 1151 1153 1151 1152 - 1153 1154 1155 1157 1155 1156 1157 1159 - 1157 1158 1159 1164 1159 1160 1160 1161 - 1161 1162 1161 1163 1164 1166 1164 1165 - 1166 1168 1166 1167 1168 1169 1169 1171 - 1169 1170 1171 1173 1171 1172 1173 1178 - 1173 1174 1174 1175 1175 1176 1175 1177 - 1178 1180 1178 1179 1180 1182 1180 1181 - 1182 1184 1182 1183 1184 1186 1184 1185 - 1186 1188 1186 1187 1188 1198 1188 1189 - 1189 1190 1190 1191 1190 1193 1191 1192 - 1192 1195 1193 1194 1194 1195 1195 1196 - 1196 1197 1198 1200 1198 1199 1200 1202 - 1200 1201 1202 1204 1202 1203 1204 1206 - 1204 1205 1206 1208 1206 1207 1208 1214 - 1208 1209 1209 1210 1210 1211 1211 1212 - 1211 1213 1214 1216 1214 1215 1216 1218 - 1216 1217 1218 1223 1218 1219 1219 1221 - 1219 1220 1221 1222 1223 1225 1223 1224 - 1225 1227 1225 1226 1227 1229 1227 1228 - 1229 1231 1229 1230 1231 1233 1231 1232 - 1233 1246 1233 1234 1234 1235 1235 1236 - 1236 1237 1237 1238 1237 1239 1239 1240 - 1239 1243 1240 1241 1240 1242 1243 1244 - 1243 1245 1246 1248 1246 1247 1248 1250 - 1248 1249 1250 1253 1250 1251 1251 1252 - 1252 1249 1253 1255 1253 1254 1255 1257 - 1255 1256 1257 1262 1257 1258 1258 1259 - 1259 1260 1259 1261 1262 1264 1262 1263 - 1264 1266 1264 1265 1266 1271 1266 1267 - 1267 1268 1268 1269 1268 1270 1271 1273 - 1271 1272 1273 1275 1273 1274 1275 1279 - 1275 1276 1276 1277 1277 1278 1279 1281 - 1279 1280 1281 1283 1281 1282 1283 1288 - 1283 1284 1284 1285 1285 1286 1285 1287 - 1288 1290 1288 1289 1290 1292 1290 1291 - 1292 1298 1292 1293 1293 1294 1294 1295 - 1295 1296 1295 1297 1298 1300 1298 1299 - 1300 1302 1300 1301 1302 1305 1302 1303 - 1303 1304 1304 1301 1305 1307 1305 1306 - 1307 1309 1307 1308 1309 1317 1309 1310 - 1310 1311 1311 1312 1311 1313 1312 1314 - 1313 1315 1314 1316 1315 1316 1317 1319 - 1317 1318 1319 1321 1319 1320 1321 1329 - 1321 1322 1322 1323 1323 1324 1323 1325 - 1324 1326 1325 1327 1326 1328 1327 1328 - 1329 1331 1329 1330 1331 1333 1331 1332 - 1333 1338 1333 1334 1334 1335 1335 1336 - 1335 1337 1338 1340 1338 1339 1340 1342 - 1340 1341 1342 1346 1342 1343 1343 1344 - 1344 1345 1346 1348 1346 1347 1348 1350 - 1348 1349 1350 1355 1350 1351 1351 1352 - 1352 1353 1352 1354 1355 1357 1355 1356 - 1357 1359 1357 1358 1359 1363 1359 1360 - 1360 1361 1360 1362 1363 1365 1363 1364 - 1365 1367 1365 1366 1367 1376 1367 1368 - 1368 1369 1369 1370 1370 1371 1371 1372 - 1372 1373 1372 1374 1372 1375 1376 1378 - 1376 1377 1378 1380 1378 1379 1380 1388 - 1380 1381 1381 1382 1382 1383 1383 1384 - 1383 1385 1385 1386 1385 1387 1388 1390 - 1388 1389 1390 1392 1390 1391 1392 1397 - 1392 1393 1393 1394 1393 1396 1394 1395 - 1397 1399 1397 1398 1399 1401 1399 1400 - 1401 1409 1401 1402 1402 1403 1403 1404 - 1403 1406 1404 1405 1404 1408 1406 1407 - 1408 1407 1409 1411 1409 1410 1411 1413 - 1411 1412 1413 1417 1413 1414 1414 1415 - 1414 1416 1417 1419 1417 1418 1419 1421 - 1419 1420 1421 1424 1421 1422 1422 1423 - 1423 1420 1424 1426 1424 1425 1426 1428 - 1426 1427 1428 1435 1428 1429 1429 1430 - 1430 1431 1430 1432 1432 1433 1432 1434 - 1435 1437 1435 1436 1437 1439 1437 1438 - 1439 1444 1439 1440 1440 1441 1441 1442 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3293 3297 3295 3296 3298 3300 3301 - 3300 3298 3299 3302 3297 3298 3304 3306 3307 - 3304 3302 3303 3305 3304 3302 3306 3307 3308 - 3306 3307 3309 3306 3304 3302 3306 3304 3305 - 3309 3311 3312 3309 3311 3319 3309 3307 3308 - 3310 3309 3307 3311 3319 3320 3311 3319 3321 - 3311 3312 3313 3311 3309 3307 3311 3309 3310 - 3312 3313 3315 3312 3313 3314 3313 3315 3317 - 3313 3314 3316 3314 3316 3318 3314 3313 3315 - 3315 3317 3318 3316 3318 3317 3319 3311 3312 - 3321 3323 3324 3321 3323 3325 3321 3319 3320 - 3322 3321 3319 3323 3325 3326 3323 3325 3327 - 3323 3321 3319 3323 3321 3322 3325 3323 3324 - 3327 3329 3330 3327 3329 3333 3327 3325 3326 - 3328 3327 3325 3329 3333 3334 3329 3333 3335 - 3329 3330 3332 3329 3330 3331 3329 3327 3325 - 3329 3327 3328 3331 3330 3332 3333 3329 3330 - 3335 3337 3338 3335 3337 3341 3335 3333 3334 - 3336 3335 3333 3337 3341 3342 3337 3341 3343 - 3337 3338 3339 3337 3335 3333 3337 3335 3336 - 3338 3339 3340 3341 3337 3338 3343 3345 3346 - 3343 3345 3347 3343 3341 3342 3344 3343 3341 - 3345 3347 3348 3345 3347 3349 3345 3343 3341 - 3345 3343 3344 3347 3345 3346 3349 3351 3352 - 3349 3351 3354 3349 3347 3348 3350 3349 3347 - 3351 3354 3355 3351 3354 3356 3351 3352 3353 - 3351 3349 3347 3351 3349 3350 3354 3351 3352 - 3356 3358 3359 3356 3358 3366 3356 3354 3355 - 3357 3356 3354 3358 3366 3367 3358 3366 3368 - 3358 3359 3360 3358 3356 3354 3358 3356 3357 - 3359 3360 3363 3359 3360 3361 3360 3363 3364 - 3360 3361 3365 3360 3361 3362 3361 3365 3364 - 3361 3360 3363 3362 3361 3365 3363 3364 3365 - 3366 3358 3359 3368 3370 3371 3368 3370 3374 - 3368 3366 3367 3369 3368 3366 3370 3374 3375 - 3370 3374 3376 3370 3371 3373 3370 3371 3372 - 3370 3368 3366 3370 3368 3369 3372 3371 3373 - 3374 3370 3371 3376 3378 3379 3376 3378 3386 - 3376 3374 3375 3377 3376 3374 3378 3386 3387 - 3378 3386 3388 3378 3379 3380 3378 3376 3374 - 3378 3376 3377 3379 3380 3383 3379 3380 3381 - 3380 3383 3384 3380 3381 3385 3380 3381 3382 - 3381 3385 3384 3381 3380 3383 3382 3381 3385 - 3383 3384 3385 3386 3378 3379 3388 3390 3391 - 3388 3390 3395 3388 3386 3387 3389 3388 3386 - 3390 3395 3396 3390 3395 3397 3390 3391 3392 - 3390 3388 3386 3390 3388 3389 3391 3392 3394 - 3391 3392 3393 3393 3392 3394 3395 3390 3391 - 3397 3399 3400 3397 3399 3405 3397 3395 3396 - 3398 3397 3395 3399 3405 3406 3399 3405 3407 - 3399 3400 3401 3399 3397 3395 3399 3397 3398 - 3400 3401 3402 3401 3402 3404 3401 3402 3403 - 3403 3402 3404 3405 3399 3400 3407 3409 3410 - 3407 3409 3417 3407 3405 3406 3408 3407 3405 - 3409 3417 3418 3409 3417 3419 3409 3410 3411 - 3409 3407 3405 3409 3407 3408 3410 3411 3413 - 3410 3411 3412 3411 3413 3415 3411 3412 3414 - 3412 3414 3416 3412 3411 3413 3413 3415 3416 - 3414 3416 3415 3417 3409 3410 3419 3421 3422 - 3419 3421 3434 3419 3417 3418 3420 3419 3417 - 3421 3434 3435 3421 3434 3436 3421 3422 3423 - 3421 3419 3417 3421 3419 3420 3422 3423 3424 - 3423 3424 3425 3424 3425 3427 3424 3425 3426 - 3425 3427 3431 3425 3427 3428 3426 3425 3427 - 3427 3431 3433 3427 3431 3432 3427 3428 3430 - 3427 3428 3429 3428 3427 3431 3429 3428 3430 - 3432 3431 3433 3434 3421 3422 3436 3438 3439 - 3436 3438 3443 3436 3434 3435 3437 3436 3434 - 3438 3443 3444 3438 3443 3445 3438 3439 3442 - 3438 3439 3440 3438 3436 3434 3438 3436 3437 - 3439 3440 3441 3440 3439 3442 3443 3438 3439 - 3445 3447 3448 3445 3447 3449 3445 3443 3444 - 3446 3445 3443 3447 3449 3450 3447 3449 3451 - 3447 3445 3443 3447 3445 3446 3449 3447 3448 - 3451 3453 3454 3451 3453 3455 3451 3449 3450 - 3452 3451 3449 3453 3455 3456 3453 3455 3457 - 3453 3451 3449 3453 3451 3452 3455 3453 3454 - 3457 3459 3460 3457 3459 3463 3457 3455 3456 - 3458 3457 3455 3459 3463 3464 3459 3463 3465 - 3459 3460 3462 3459 3460 3461 3459 3457 3455 - 3459 3457 3458 3461 3460 3462 3463 3459 3460 - 3465 3467 3468 3465 3467 3473 3465 3463 3464 - 3466 3465 3463 3467 3473 3474 3467 3473 3475 - 3467 3468 3469 3467 3465 3463 3467 3465 3466 - 3468 3469 3470 3469 3470 3472 3469 3470 3471 - 3471 3470 3472 3473 3467 3468 3475 3477 3478 - 3475 3473 3474 3476 3475 3473 3477 3478 3479 - 3477 3478 3480 3477 3475 3473 3477 3475 3476 - 3480 3482 3483 3480 3482 3485 3480 3481 3484 - 3480 3478 3479 3481 3480 3478 3482 3485 3486 - 3482 3485 3487 3482 3483 3484 3482 3480 3478 - 3482 3480 3481 3483 3484 3481 3485 3482 3483 - 3487 3489 3490 3487 3489 3497 3487 3485 3486 - 3488 3487 3485 3489 3497 3498 3489 3497 3499 - 3489 3490 3491 3489 3487 3485 3489 3487 3488 - 3490 3491 3493 3490 3491 3492 3491 3493 3495 - 3491 3492 3494 3492 3494 3496 3492 3491 3493 - 3493 3495 3496 3494 3496 3495 3497 3489 3490 - 3499 3501 3502 3499 3501 3505 3499 3497 3498 - 3500 3499 3497 3501 3505 3506 3501 3505 3507 - 3501 3502 3504 3501 3502 3503 3501 3499 3497 - 3501 3499 3500 3503 3502 3504 3505 3501 3502 - 3507 3509 3510 3507 3509 3514 3507 3505 3506 - 3508 3507 3505 3509 3514 3515 3509 3514 3516 - 3509 3510 3513 3509 3510 3511 3509 3507 3505 - 3509 3507 3508 3510 3511 3512 3511 3510 3513 - 3514 3509 3510 3516 3518 3519 3516 3518 3523 - 3516 3514 3515 3517 3516 3514 3518 3523 3524 - 3518 3523 3525 3518 3519 3520 3518 3516 3514 - 3518 3516 3517 3519 3520 3522 3519 3520 3521 - 3521 3520 3522 3523 3518 3519 3525 3527 3528 - 3525 3527 3532 3525 3523 3524 3526 3525 3523 - 3527 3532 3533 3527 3532 3534 3527 3528 3529 - 3527 3525 3523 3527 3525 3526 3528 3529 3531 - 3528 3529 3530 3530 3529 3531 3532 3527 3528 - 3534 3536 3537 3534 3536 3541 3534 3532 3533 - 3535 3534 3532 3536 3541 3542 3536 3541 3543 - 3536 3537 3538 3536 3534 3532 3536 3534 3535 - 3537 3538 3539 3538 3539 3540 3541 3536 3537 - 3543 3545 3546 3543 3545 3551 3543 3541 3542 - 3544 3543 3541 3545 3551 3552 3545 3551 3553 - 3545 3546 3547 3545 3543 3541 3545 3543 3544 - 3546 3547 3548 3547 3548 3550 3547 3548 3549 - 3549 3548 3550 3551 3545 3546 3553 3555 3556 - 3553 3555 3560 3553 3551 3552 3554 3553 3551 - 3555 3560 3561 3555 3560 3562 3555 3556 3557 - 3555 3553 3551 3555 3553 3554 3556 3557 3559 - 3556 3557 3558 3558 3557 3559 3560 3555 3556 - 3562 3564 3565 3562 3564 3567 3562 3560 3561 - 3563 3562 3560 3564 3567 3568 3564 3567 3569 - 3564 3565 3566 3564 3562 3560 3564 3562 3563 - 3567 3564 3565 3569 3571 3572 3569 3567 3568 - 3570 3569 3567 3571 3572 3573 3571 3572 3574 - 3571 3569 3567 3571 3569 3570 3574 3576 3577 - 3574 3576 3586 3574 3572 3573 3575 3574 3572 - 3576 3586 3587 3576 3586 3588 3576 3577 3578 - 3576 3574 3572 3576 3574 3575 3577 3578 3581 - 3577 3578 3579 3578 3581 3582 3578 3579 3580 - 3579 3580 3583 3579 3578 3581 3580 3583 3584 - 3580 3583 3582 3581 3582 3583 3582 3583 3584 - 3583 3584 3585 3586 3576 3577 3588 3590 3591 - 3588 3590 3597 3588 3586 3587 3589 3588 3586 - 3590 3597 3598 3590 3591 3592 3590 3588 3586 - 3590 3588 3589 3591 3592 3594 3591 3592 3593 - 3592 3594 3596 3592 3594 3595 3593 3592 3594 - 3595 3594 3596 3597 3590 3591 - - 6800 !NPHI: dihedrals - 1 3 9 11 1 3 9 10 - 1 3 4 5 2 1 3 9 - 2 1 3 4 3 9 11 13 - 3 9 11 12 3 4 5 6 - 4 5 6 7 4 5 6 8 - 4 3 9 11 4 3 9 10 - 5 4 3 9 9 11 13 18 - 9 11 13 14 10 9 11 13 - 10 9 11 12 11 13 18 20 - 11 13 18 19 11 13 14 15 - 12 11 13 18 12 11 13 14 - 13 18 20 22 13 18 20 21 - 13 14 15 16 14 15 16 17 - 14 13 18 20 14 13 18 19 - 15 14 13 18 18 20 22 26 - 18 20 22 23 19 18 20 22 - 19 18 20 21 20 22 26 28 - 20 22 26 27 20 22 23 24 - 20 22 23 25 21 20 22 26 - 21 20 22 23 22 26 28 30 - 22 26 28 29 23 22 26 28 - 23 22 26 27 24 23 22 26 - 25 23 22 26 26 28 30 35 - 26 28 30 31 27 26 28 30 - 27 26 28 29 28 30 35 37 - 28 30 35 36 28 30 31 32 - 29 28 30 35 29 28 30 31 - 30 35 37 39 30 35 37 38 - 30 31 32 33 30 31 32 34 - 31 30 35 37 31 30 35 36 - 32 31 30 35 35 37 39 46 - 35 37 39 40 36 35 37 39 - 36 35 37 38 37 39 46 48 - 37 39 46 47 37 39 40 41 - 38 37 39 46 38 37 39 40 - 39 46 48 50 39 46 48 49 - 39 40 41 42 39 40 41 43 - 40 41 43 44 40 41 43 45 - 40 39 46 48 40 39 46 47 - 41 40 39 46 42 41 43 44 - 42 41 43 45 46 48 50 55 - 46 48 50 51 47 46 48 50 - 47 46 48 49 48 50 55 57 - 48 50 55 56 48 50 51 52 - 49 48 50 55 49 48 50 51 - 50 55 57 59 50 55 57 58 - 50 51 52 53 50 51 52 54 - 51 50 55 57 51 50 55 56 - 52 51 50 55 55 57 59 72 - 55 57 59 60 56 55 57 59 - 56 55 57 58 57 59 72 74 - 57 59 72 73 57 59 60 61 - 58 57 59 72 58 57 59 60 - 59 72 74 76 59 72 74 75 - 59 60 61 62 60 61 62 63 - 60 59 72 74 60 59 72 73 - 61 62 63 64 61 62 63 65 - 61 60 59 72 62 63 65 66 - 62 63 65 69 63 65 66 67 - 63 65 66 68 63 65 69 70 - 63 65 69 71 64 63 65 66 - 64 63 65 69 66 65 69 70 - 66 65 69 71 67 66 65 69 - 68 66 65 69 72 74 76 77 - 73 72 74 76 73 72 74 75 - 74 76 77 79 74 76 77 78 - 75 74 76 77 76 77 79 81 - 76 77 79 80 77 79 81 90 - 77 79 81 82 78 77 79 81 - 78 77 79 80 79 81 90 92 - 79 81 90 91 79 81 82 83 - 80 79 81 90 80 79 81 82 - 81 90 92 94 81 90 92 93 - 81 82 83 84 82 83 84 85 - 82 81 90 92 82 81 90 91 - 83 84 85 86 83 82 81 90 - 84 85 86 87 84 85 86 88 - 84 85 86 89 90 92 94 98 - 90 92 94 95 91 90 92 94 - 91 90 92 93 92 94 98 100 - 92 94 98 99 92 94 95 96 - 93 92 94 98 93 92 94 95 - 94 98 100 102 94 98 100 101 - 94 95 96 97 95 94 98 100 - 95 94 98 99 96 95 94 98 - 98 100 102 103 99 98 100 102 - 99 98 100 101 100 102 103 105 - 100 102 103 104 101 100 102 103 - 102 103 105 107 102 103 105 106 - 103 105 107 115 103 105 107 108 - 104 103 105 107 104 103 105 106 - 105 107 115 117 105 107 115 116 - 105 107 108 109 106 105 107 115 - 106 105 107 108 107 115 117 119 - 107 115 117 118 107 108 109 110 - 108 109 110 111 108 109 110 112 - 108 107 115 117 108 107 115 116 - 109 110 112 113 109 110 112 114 - 109 108 107 115 111 110 112 113 - 111 110 112 114 115 117 119 120 - 116 115 117 119 116 115 117 118 - 117 119 120 122 117 119 120 121 - 118 117 119 120 119 120 122 124 - 119 120 122 123 120 122 124 134 - 120 122 124 125 121 120 122 124 - 121 120 122 123 122 124 134 136 - 122 124 134 135 122 124 125 126 - 123 122 124 134 123 122 124 125 - 124 134 136 138 124 134 136 137 - 124 125 126 127 124 125 126 129 - 125 126 127 128 125 126 129 130 - 125 124 134 136 125 124 134 135 - 126 129 130 131 126 127 128 131 - 126 125 124 134 127 128 131 130 - 127 128 131 132 127 126 129 130 - 128 131 130 129 128 131 132 133 - 128 127 126 129 129 130 131 132 - 130 131 132 133 134 136 138 148 - 134 136 138 139 135 134 136 138 - 135 134 136 137 136 138 148 150 - 136 138 148 149 136 138 139 140 - 137 136 138 148 137 136 138 139 - 138 148 150 152 138 148 150 151 - 138 139 140 141 138 139 140 143 - 139 140 141 142 139 140 143 144 - 139 138 148 150 139 138 148 149 - 140 143 144 145 140 141 142 145 - 140 139 138 148 141 142 145 144 - 141 142 145 146 141 140 143 144 - 142 145 144 143 142 145 146 147 - 142 141 140 143 143 144 145 146 - 144 145 146 147 148 150 152 156 - 148 150 152 153 149 148 150 152 - 149 148 150 151 150 152 156 158 - 150 152 156 157 150 152 153 154 - 150 152 153 155 151 150 152 156 - 151 150 152 153 152 156 158 160 - 152 156 158 159 153 152 156 158 - 153 152 156 157 154 153 152 156 - 155 153 152 156 156 158 160 166 - 156 158 160 161 157 156 158 160 - 157 156 158 159 158 160 166 168 - 158 160 166 167 158 160 161 162 - 159 158 160 166 159 158 160 161 - 160 166 168 170 160 166 168 169 - 160 161 162 163 161 162 163 164 - 161 162 163 165 161 160 166 168 - 161 160 166 167 162 161 160 166 - 166 168 170 175 166 168 170 171 - 167 166 168 170 167 166 168 169 - 168 170 175 177 168 170 175 176 - 168 170 171 172 169 168 170 175 - 169 168 170 171 170 175 177 179 - 170 175 177 178 170 171 172 173 - 171 172 173 174 171 170 175 177 - 171 170 175 176 172 171 170 175 - 175 177 179 184 175 177 179 180 - 176 175 177 179 176 175 177 178 - 177 179 184 186 177 179 184 185 - 177 179 180 181 177 179 180 183 - 178 177 179 184 178 177 179 180 - 179 184 186 188 179 184 186 187 - 179 180 181 182 180 179 184 186 - 180 179 184 185 181 180 179 184 - 182 181 180 183 183 180 179 184 - 184 186 188 192 184 186 188 189 - 185 184 186 188 185 184 186 187 - 186 188 192 194 186 188 192 193 - 186 188 189 190 186 188 189 191 - 187 186 188 192 187 186 188 189 - 188 192 194 196 188 192 194 195 - 189 188 192 194 189 188 192 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219 221 217 216 219 220 - 218 217 216 219 219 221 223 231 - 219 221 223 224 220 219 221 223 - 220 219 221 222 221 223 231 233 - 221 223 231 232 221 223 224 225 - 222 221 223 231 222 221 223 224 - 223 231 233 235 223 231 233 234 - 223 224 225 226 224 225 226 227 - 224 225 226 228 224 223 231 233 - 224 223 231 232 225 226 228 229 - 225 226 228 230 225 224 223 231 - 227 226 228 229 227 226 228 230 - 231 233 235 240 231 233 235 236 - 232 231 233 235 232 231 233 234 - 233 235 240 242 233 235 240 241 - 233 235 236 237 233 235 236 239 - 234 233 235 240 234 233 235 236 - 235 240 242 244 235 240 242 243 - 235 236 237 238 236 235 240 242 - 236 235 240 241 237 236 235 240 - 238 237 236 239 239 236 235 240 - 240 242 244 249 240 242 244 245 - 241 240 242 244 241 240 242 243 - 242 244 249 251 242 244 249 250 - 242 244 245 246 243 242 244 249 - 243 242 244 245 244 249 251 253 - 244 249 251 252 244 245 246 247 - 244 245 246 248 245 244 249 251 - 245 244 249 250 246 245 244 249 - 249 251 253 260 249 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348 350 - 341 340 348 349 342 344 346 347 - 342 343 345 347 342 341 340 348 - 343 345 347 346 343 342 344 346 - 344 346 347 345 344 342 343 345 - 348 350 352 354 348 350 352 353 - 349 348 350 352 349 348 350 351 - 350 352 354 356 350 352 354 355 - 351 350 352 354 351 350 352 353 - 352 354 356 358 352 354 356 357 - 353 352 354 356 353 352 354 355 - 354 356 358 362 354 356 358 359 - 355 354 356 358 355 354 356 357 - 356 358 362 364 356 358 362 363 - 356 358 359 360 356 358 359 361 - 357 356 358 362 357 356 358 359 - 358 362 364 366 358 362 364 365 - 359 358 362 364 359 358 362 363 - 360 359 358 362 361 359 358 362 - 362 364 366 367 363 362 364 366 - 363 362 364 365 364 366 367 369 - 364 366 367 368 365 364 366 367 - 366 367 369 371 366 367 369 370 - 367 369 371 373 367 369 371 372 - 368 367 369 371 368 367 369 370 - 369 371 373 375 369 371 373 374 - 370 369 371 373 370 369 371 372 - 371 373 375 377 371 373 375 376 - 372 371 373 375 372 371 373 374 - 373 375 377 379 373 375 377 378 - 374 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434 - 437 439 441 445 437 439 441 442 - 438 437 439 441 438 437 439 440 - 439 441 445 446 439 441 442 443 - 439 441 442 444 440 439 441 445 - 440 439 441 442 442 441 445 446 - 443 442 441 445 444 442 441 445 - 447 449 454 456 447 449 454 455 - 447 449 450 451 448 447 449 454 - 448 447 449 450 449 454 456 458 - 449 454 456 457 449 450 451 452 - 449 450 451 453 450 449 454 456 - 450 449 454 455 451 450 449 454 - 454 456 458 466 454 456 458 459 - 455 454 456 458 455 454 456 457 - 456 458 466 468 456 458 466 467 - 456 458 459 460 457 456 458 466 - 457 456 458 459 458 466 468 470 - 458 466 468 469 458 459 460 461 - 458 459 460 463 459 460 461 462 - 459 460 461 465 459 460 463 464 - 459 458 466 468 459 458 466 467 - 460 463 464 465 460 461 465 464 - 460 459 458 466 461 465 464 463 - 461 460 463 464 462 461 460 463 - 462 461 465 464 463 460 461 465 - 466 468 470 483 466 468 470 471 - 467 466 468 470 467 466 468 469 - 468 470 483 485 468 470 483 484 - 468 470 471 472 469 468 470 483 - 469 468 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A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ENDMDL -MODEL 2 -REMARK original generated coordinate pdb file -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ENDMDL diff --git a/examples/example1/BACE_4.rec.pdb b/examples/example1/BACE_4.rec.pdb deleted file mode 100644 index 2926763..0000000 --- a/examples/example1/BACE_4.rec.pdb +++ /dev/null @@ -1,3600 +0,0 @@ -REMARK original generated coordinate pdb file -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -END diff --git a/examples/example1/density.pdb b/examples/example1/density.pdb deleted file mode 100644 index dfe267c..0000000 --- a/examples/example1/density.pdb +++ /dev/null @@ -1,42 +0,0 @@ -ATOM 3599 C1 X 1 31.328 8.570 13.525 0.00 0.00 C -ATOM 3600 C2 X 1 31.163 8.375 15.041 0.00 0.00 C -ATOM 3601 C3 X 1 32.146 9.318 15.790 0.00 0.00 C -ATOM 3602 C4 X 1 31.601 9.927 17.089 0.00 0.00 C -ATOM 3603 C5 X 1 31.214 8.893 18.143 0.00 0.00 C -ATOM 3604 C6 X 1 30.742 9.555 19.431 0.00 0.00 C -ATOM 3605 C7 X 1 30.435 8.545 20.544 0.00 0.00 C -ATOM 3606 C8 X 1 29.442 7.453 20.166 0.00 0.00 C -ATOM 3607 O1 X 1 28.211 8.045 19.744 0.00 0.00 O -ATOM 3608 C9 X 1 27.197 7.077 19.521 0.00 0.00 C -ATOM 3609 C10 X 1 27.347 6.256 18.225 0.00 0.00 C -ATOM 3610 O2 X 1 27.967 5.188 18.222 0.00 0.00 O -ATOM 3611 N1 X 1 26.787 6.760 17.058 0.00 0.00 N -ATOM 3612 C11 X 1 26.671 5.864 15.878 0.00 0.00 C -ATOM 3613 C12 X 1 27.891 5.867 14.926 0.00 0.00 C -ATOM 3614 O3 X 1 27.813 5.493 13.758 0.00 0.00 O -ATOM 3615 N2 X 1 29.090 6.182 15.532 0.00 0.00 N -ATOM 3616 C13 X 1 30.381 5.877 14.905 0.00 0.00 C -ATOM 3617 C14 X 1 31.439 6.888 15.410 0.00 0.00 C -ATOM 3618 C15 X 1 30.747 4.390 15.215 0.00 0.00 C -ATOM 3619 C16 X 1 32.081 3.924 14.600 0.00 0.00 C -ATOM 3620 N3 X 1 32.070 3.933 13.138 0.00 0.00 N -ATOM 3621 C17 X 1 31.854 2.667 12.410 0.00 0.00 C -ATOM 3622 C18 X 1 32.744 1.481 12.740 0.00 0.00 C -ATOM 3623 C19 X 1 31.276 1.425 13.064 0.00 0.00 C -ATOM 3624 C20 X 1 31.482 2.901 10.946 0.00 0.00 C -ATOM 3625 C21 X 1 30.159 3.171 10.568 0.00 0.00 C -ATOM 3626 C22 X 1 29.810 3.364 9.232 0.00 0.00 C -ATOM 3627 C23 X 1 30.787 3.304 8.237 0.00 0.00 C -ATOM 3628 C24 X 1 32.131 3.053 8.553 0.00 0.00 C -ATOM 3629 C25 X 1 32.441 2.859 9.916 0.00 0.00 C -ATOM 3630 C26 X 1 33.239 2.977 7.487 0.00 0.00 C -ATOM 3631 C27 X 1 32.750 3.271 6.052 0.00 0.00 C -ATOM 3632 C28 X 1 34.342 4.011 7.806 0.00 0.00 C -ATOM 3633 C29 X 1 33.857 1.560 7.483 0.00 0.00 C -ATOM 3634 O4 X 1 30.831 4.205 16.644 0.00 0.00 O -ATOM 3635 C30 X 1 25.383 6.097 15.091 0.00 0.00 C -ATOM 3636 C31 X 1 26.547 8.187 16.851 0.00 0.00 C -ATOM 3637 H20 X 1 29.078 6.624 16.412 0.00 0.00 H -ATOM 3638 H27 X 1 32.972 4.300 12.835 0.00 0.00 H -ATOM 3639 H28 X 1 31.246 4.488 12.906 0.00 0.00 H -ATOM 3640 H46 X 1 31.547 4.755 17.000 0.00 0.00 H diff --git a/examples/example1/output_example/rec-lig-min.json b/examples/example1/output_example/rec-lig-min.json deleted file mode 100644 index a1d246d..0000000 --- a/examples/example1/output_example/rec-lig-min.json +++ /dev/null @@ -1,22 +0,0 @@ -[ - { - "START": { - "VDW": 1414.4652578876048, - "VDW03": 8.9447630713999615, - "Bonds": 6.9040481781171161, - "Angles": 26.392819102919301, - "Torsions": 19.266159191403766, - "Impropers": 19.403668276214223, - "Total": 1495.3767157076591 - }, - "FINAL": { - "VDW": -75.838682310563868, - "VDW03": 9.0971609930271633, - "Bonds": 1.2133715166972521, - "Angles": 6.0347366947395216, - "Torsions": 19.294007688919926, - "Impropers": 0.021087797400667154, - "Total": -40.178317619779342 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec-lig-min.pdb b/examples/example1/output_example/rec-lig-min.pdb deleted file mode 100644 index f9532a1..0000000 --- a/examples/example1/output_example/rec-lig-min.pdb +++ /dev/null @@ -1,3655 +0,0 @@ -REMARK START VDW: 1414.465 -REMARK START VDW03: 8.945 -REMARK START Bonds 6.904 -REMARK START Angles: 26.393 -REMARK START Torsions: 19.266 -REMARK START Impropers: 19.404 -REMARK START Total: 1495.377 -REMARK -REMARK FINAL VDW: -75.839 -REMARK FINAL VDW03: 9.097 -REMARK FINAL Bonds 1.213 -REMARK FINAL Angles: 6.035 -REMARK FINAL Torsions: 19.294 -REMARK FINAL Impropers: 0.021 -REMARK FINAL Total: -40.178 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 30.395 9.175 14.570 0.00 0.00 C -ATOM 3600 C2 X 1 31.044 8.364 15.699 0.00 0.00 C -ATOM 3601 C3 X 1 32.141 9.196 16.371 0.00 0.00 C -ATOM 3602 C4 X 1 31.582 9.918 17.602 0.00 0.00 C -ATOM 3603 C5 X 1 31.256 8.891 18.692 0.00 0.00 C -ATOM 3604 C6 X 1 30.526 9.541 19.871 0.00 0.00 C -ATOM 3605 C7 X 1 30.076 8.473 20.878 0.00 0.00 C -ATOM 3606 C8 X 1 29.155 7.429 20.234 0.00 0.00 C -ATOM 3607 O1 X 1 28.098 8.124 19.549 0.00 0.00 O -ATOM 3608 C9 X 1 26.939 7.308 19.292 0.00 0.00 C -ATOM 3609 C10 X 1 27.124 6.412 18.086 0.00 0.00 C -ATOM 3610 O2 X 1 27.481 5.260 18.202 0.00 0.00 O -ATOM 3611 N1 X 1 26.870 6.964 16.876 0.00 0.00 N -ATOM 3612 C11 X 1 26.803 6.199 15.621 0.00 0.00 C -ATOM 3613 C12 X 1 28.066 6.017 14.812 0.00 0.00 C -ATOM 3614 O3 X 1 28.025 5.767 13.626 0.00 0.00 O -ATOM 3615 N2 X 1 29.243 6.144 15.453 0.00 0.00 N -ATOM 3616 C13 X 1 30.509 6.045 14.724 0.00 0.00 C -ATOM 3617 C14 X 1 31.603 7.013 15.217 0.00 0.00 C -ATOM 3618 C15 X 1 31.004 4.589 14.604 0.00 0.00 C -ATOM 3619 C16 X 1 31.177 4.155 13.141 0.00 0.00 C -ATOM 3620 N3 X 1 29.945 3.537 12.545 0.00 0.00 N -ATOM 3621 C17 X 1 30.277 2.544 11.461 0.00 0.00 C -ATOM 3622 C18 X 1 31.015 1.427 12.138 0.00 0.00 C -ATOM 3623 C19 X 1 29.542 1.306 11.883 0.00 0.00 C -ATOM 3624 C20 X 1 30.444 2.982 10.046 0.00 0.00 C -ATOM 3625 C21 X 1 29.304 3.256 9.274 0.00 0.00 C -ATOM 3626 C22 X 1 29.411 3.650 7.935 0.00 0.00 C -ATOM 3627 C23 X 1 30.690 3.760 7.377 0.00 0.00 C -ATOM 3628 C24 X 1 31.851 3.495 8.130 0.00 0.00 C -ATOM 3629 C25 X 1 31.723 3.114 9.480 0.00 0.00 C -ATOM 3630 C26 X 1 33.222 3.623 7.456 0.00 0.00 C -ATOM 3631 C27 X 1 33.368 4.987 6.760 0.00 0.00 C -ATOM 3632 C28 X 1 34.396 3.486 8.441 0.00 0.00 C -ATOM 3633 C29 X 1 33.390 2.532 6.388 0.00 0.00 C -ATOM 3634 O4 X 1 32.214 4.367 15.323 0.00 0.00 O -ATOM 3635 C30 X 1 25.879 4.968 15.600 0.00 0.00 C -ATOM 3636 C31 X 1 26.622 8.397 16.710 0.00 0.00 C -ATOM 3637 H20 X 1 29.266 6.314 16.448 0.00 0.00 H -ATOM 3638 H27 X 1 29.330 4.276 12.165 0.00 0.00 H -ATOM 3639 H28 X 1 29.419 3.060 13.296 0.00 0.00 H -ATOM 3640 H46 X 1 32.949 4.749 14.811 0.00 0.00 H diff --git a/examples/example1/output_example/rec-lig-orig.pdb b/examples/example1/output_example/rec-lig-orig.pdb deleted file mode 100644 index 4ca4947..0000000 --- a/examples/example1/output_example/rec-lig-orig.pdb +++ /dev/null @@ -1,3655 +0,0 @@ -REMARK START VDW: 328836.661 -REMARK START VDW03: 578.379 -REMARK START Bonds 1222109.732 -REMARK START Angles: 2416.514 -REMARK START Torsions: 753.788 -REMARK START Impropers: 209.700 -REMARK START Total: 1554904.776 -REMARK -REMARK FINAL VDW: 328836.661 -REMARK FINAL VDW03: 578.379 -REMARK FINAL Bonds 1222109.732 -REMARK FINAL Angles: 2416.514 -REMARK FINAL Torsions: 753.788 -REMARK FINAL Impropers: 209.700 -REMARK FINAL Total: 1554904.776 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 31.328 8.570 13.525 0.00 0.00 C -ATOM 3600 C2 X 1 31.163 8.375 15.041 0.00 0.00 C -ATOM 3601 C3 X 1 32.146 9.318 15.790 0.00 0.00 C -ATOM 3602 C4 X 1 31.601 9.927 17.089 0.00 0.00 C -ATOM 3603 C5 X 1 31.214 8.893 18.143 0.00 0.00 C -ATOM 3604 C6 X 1 30.742 9.555 19.431 0.00 0.00 C -ATOM 3605 C7 X 1 30.435 8.545 20.544 0.00 0.00 C -ATOM 3606 C8 X 1 29.442 7.453 20.166 0.00 0.00 C -ATOM 3607 O1 X 1 28.211 8.045 19.744 0.00 0.00 O -ATOM 3608 C9 X 1 27.197 7.077 19.521 0.00 0.00 C -ATOM 3609 C10 X 1 27.347 6.256 18.225 0.00 0.00 C -ATOM 3610 O2 X 1 27.967 5.188 18.222 0.00 0.00 O -ATOM 3611 N1 X 1 26.787 6.760 17.058 0.00 0.00 N -ATOM 3612 C11 X 1 26.671 5.864 15.878 0.00 0.00 C -ATOM 3613 C12 X 1 27.891 5.867 14.926 0.00 0.00 C -ATOM 3614 O3 X 1 27.813 5.493 13.758 0.00 0.00 O -ATOM 3615 N2 X 1 29.090 6.182 15.532 0.00 0.00 N -ATOM 3616 C13 X 1 30.381 5.877 14.905 0.00 0.00 C -ATOM 3617 C14 X 1 31.439 6.888 15.410 0.00 0.00 C -ATOM 3618 C15 X 1 30.747 4.390 15.215 0.00 0.00 C -ATOM 3619 C16 X 1 32.081 3.924 14.600 0.00 0.00 C -ATOM 3620 N3 X 1 32.070 3.933 13.138 0.00 0.00 N -ATOM 3621 C17 X 1 31.854 2.667 12.410 0.00 0.00 C -ATOM 3622 C18 X 1 32.744 1.481 12.740 0.00 0.00 C -ATOM 3623 C19 X 1 31.276 1.425 13.064 0.00 0.00 C -ATOM 3624 C20 X 1 31.482 2.901 10.946 0.00 0.00 C -ATOM 3625 C21 X 1 30.159 3.171 10.568 0.00 0.00 C -ATOM 3626 C22 X 1 29.810 3.364 9.232 0.00 0.00 C -ATOM 3627 C23 X 1 30.787 3.304 8.237 0.00 0.00 C -ATOM 3628 C24 X 1 32.131 3.053 8.553 0.00 0.00 C -ATOM 3629 C25 X 1 32.441 2.859 9.916 0.00 0.00 C -ATOM 3630 C26 X 1 33.239 2.977 7.487 0.00 0.00 C -ATOM 3631 C27 X 1 32.750 3.271 6.052 0.00 0.00 C -ATOM 3632 C28 X 1 34.342 4.011 7.806 0.00 0.00 C -ATOM 3633 C29 X 1 33.857 1.560 7.483 0.00 0.00 C -ATOM 3634 O4 X 1 30.831 4.205 16.644 0.00 0.00 O -ATOM 3635 C30 X 1 25.383 6.097 15.091 0.00 0.00 C -ATOM 3636 C31 X 1 26.547 8.187 16.851 0.00 0.00 C -ATOM 3637 H20 X 1 29.078 6.624 16.412 0.00 0.00 H -ATOM 3638 H27 X 1 32.972 4.300 12.835 0.00 0.00 H -ATOM 3639 H28 X 1 31.246 4.488 12.906 0.00 0.00 H -ATOM 3640 H46 X 1 31.547 4.755 17.000 0.00 0.00 H diff --git a/examples/example1/output_example/rec-lig-score.json b/examples/example1/output_example/rec-lig-score.json deleted file mode 100644 index 4ed115f..0000000 --- a/examples/example1/output_example/rec-lig-score.json +++ /dev/null @@ -1,13 +0,0 @@ -[ - { - "FINAL": { - "VDW": 328836.66147307429, - "VDW03": 578.37929908361264, - "Bonds": 1222109.7321176636, - "Angles": 2416.5143616728014, - "Torsions": 753.78834088517522, - "Impropers": 209.6999225130437, - "Total": 1554904.7755148925 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec-min.json b/examples/example1/output_example/rec-min.json deleted file mode 100644 index 45837a5..0000000 --- a/examples/example1/output_example/rec-min.json +++ /dev/null @@ -1,22 +0,0 @@ -[ - { - "START": { - "VDW": 327422.19621518848, - "VDW03": 569.43453601221233, - "Bonds": 1222102.8280694862, - "Angles": 2390.1215425698833, - "Torsions": 734.52218169377102, - "Impropers": 190.29625423682947, - "Total": 1553409.3987991873 - }, - "FINAL": { - "VDW": -2234.3930757823114, - "VDW03": 357.34578808308618, - "Bonds": 518.45168063291953, - "Angles": 1465.3455723916738, - "Torsions": 978.71131186319951, - "Impropers": 225.99460354058783, - "Total": 1311.4558807291555 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec-min.pdb b/examples/example1/output_example/rec-min.pdb deleted file mode 100644 index 4ad680a..0000000 --- a/examples/example1/output_example/rec-min.pdb +++ /dev/null @@ -1,3613 +0,0 @@ -REMARK START VDW: 327422.196 -REMARK START VDW03: 569.435 -REMARK START Bonds 1222102.828 -REMARK START Angles: 2390.122 -REMARK START Torsions: 734.522 -REMARK START Impropers: 190.296 -REMARK START Total: 1553409.399 -REMARK -REMARK FINAL VDW: -2234.393 -REMARK FINAL VDW03: 357.346 -REMARK FINAL Bonds 518.452 -REMARK FINAL Angles: 1465.346 -REMARK FINAL Torsions: 978.711 -REMARK FINAL Impropers: 225.995 -REMARK FINAL Total: 1311.456 -ATOM 1 N GLU A 1 52.110 4.112 30.265 1.00 0.00 A0 N -ATOM 2 H GLU A 1 52.146 3.300 30.846 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 51.954 5.408 30.914 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.235 6.178 30.827 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.363 5.453 31.564 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.640 6.243 31.399 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 55.863 6.863 30.362 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.420 6.255 32.334 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.845 6.222 30.369 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.897 7.427 30.151 1.00 0.00 A0 O -ATOM 11 N MET A 2 49.812 5.436 30.117 1.00 0.00 A0 N -ATOM 12 H MET A 2 49.926 4.447 29.974 0.00 0.00 A0 H -ATOM 13 CA MET A 2 48.581 6.140 29.807 1.00 0.00 A0 C -ATOM 14 CB MET A 2 48.483 6.285 28.274 1.00 0.00 A0 C -ATOM 15 CG MET A 2 49.167 7.312 27.348 1.00 0.00 A0 C -ATOM 16 SD MET A 2 48.675 7.465 25.608 1.00 0.00 A0 S -ATOM 17 CE MET A 2 49.603 6.101 24.859 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.321 5.523 30.451 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.264 6.127 30.352 1.00 0.00 A0 O -ATOM 20 N VAL A 3 47.466 4.326 31.108 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.280 3.763 31.064 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.452 3.716 31.990 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.111 2.688 32.967 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 46.184 2.095 34.050 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.758 1.569 32.147 1.00 0.00 A0 C -ATOM 26 C VAL A 3 45.579 4.724 32.717 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.053 5.541 33.498 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.304 4.648 32.295 1.00 0.00 A0 N -ATOM 29 H ASP A 4 43.960 3.780 31.951 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.335 5.718 32.359 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 43.156 6.231 33.804 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.273 5.147 34.912 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.882 5.434 35.961 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 42.763 4.028 34.720 1.00 0.00 A0 O -ATOM 35 C ASP A 4 43.399 6.794 31.201 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.536 7.979 31.465 1.00 0.00 A0 O -ATOM 37 N ASN A 5 43.179 6.398 29.855 1.00 0.00 A0 N -ATOM 38 H ASN A 5 43.739 5.614 29.548 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 42.496 7.339 28.855 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 41.718 6.978 27.457 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 41.924 6.211 26.097 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 41.627 5.034 25.991 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 42.304 6.862 24.961 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 41.881 6.386 24.186 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 43.067 7.502 24.700 0.00 0.00 A0 H -ATOM 46 C ASN A 5 41.185 7.711 29.507 1.00 0.00 A0 C -ATOM 47 O ASN A 5 40.879 8.799 29.999 1.00 0.00 A0 O -ATOM 48 N LEU A 6 40.448 6.572 29.499 1.00 0.00 A0 N -ATOM 49 H LEU A 6 40.891 5.704 29.731 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 39.021 6.578 29.318 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 38.597 5.127 28.949 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 39.341 4.628 27.665 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 39.921 3.249 27.728 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 38.653 4.549 26.338 1.00 0.00 A0 C -ATOM 55 C LEU A 6 38.625 7.174 30.623 1.00 0.00 A0 C -ATOM 56 O LEU A 6 39.027 6.771 31.695 1.00 0.00 A0 O -ATOM 57 N ARG A 7 38.046 8.335 30.409 1.00 0.00 A0 N -ATOM 58 H ARG A 7 38.036 8.633 29.444 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 37.031 8.669 31.366 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 37.220 10.058 32.030 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 38.606 10.502 32.567 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.000 9.924 33.919 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.222 10.535 34.451 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.216 11.402 34.955 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.335 9.777 34.425 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.466 8.814 33.519 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.266 8.218 33.535 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.777 8.682 32.808 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.306 9.972 35.312 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 43.120 9.390 35.292 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 42.216 10.685 36.008 0.00 0.00 A0 H -ATOM 72 C ARG A 7 35.919 8.507 30.362 1.00 0.00 A0 C -ATOM 73 O ARG A 7 35.779 7.467 29.740 1.00 0.00 A0 O -ATOM 74 N GLY A 8 35.237 9.586 30.099 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.531 10.522 30.261 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.251 9.500 29.063 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.276 10.476 29.563 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.287 10.848 30.730 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.393 10.836 28.652 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.531 10.746 27.663 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.103 10.904 29.293 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.464 12.261 29.057 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.297 13.399 29.648 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.596 14.729 29.410 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.302 15.926 30.038 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.490 17.116 29.752 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.967 17.965 30.115 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.374 17.197 28.724 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.547 17.024 30.182 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.297 9.748 28.778 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.547 9.245 27.690 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.329 9.344 29.618 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.308 9.707 30.549 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.375 8.325 29.180 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.387 8.039 30.312 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.497 6.987 29.933 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.828 6.944 30.603 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.633 8.687 27.900 1.00 0.00 A0 C -ATOM 99 O SER A 10 26.991 9.725 27.796 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.778 7.764 26.927 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.341 6.958 27.107 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.151 7.960 25.617 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.821 8.964 24.695 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.304 9.317 23.642 1.00 0.00 A0 O -ATOM 105 N GLN A 12 28.999 9.418 25.152 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.440 9.016 25.952 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.747 10.379 24.359 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.823 11.721 25.085 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.403 12.250 25.316 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.438 13.608 25.972 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.472 14.213 26.145 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.249 14.100 26.320 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.413 13.564 26.249 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.213 15.038 26.662 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.110 9.845 24.012 1.00 0.00 A0 C -ATOM 116 O GLN A 12 31.997 10.580 23.621 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.231 8.515 24.164 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.525 7.980 24.621 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.446 7.868 23.710 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.587 8.008 24.696 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.534 8.658 25.735 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.619 7.308 24.242 1.00 0.00 A0 N -ATOM 123 H TYR A 14 34.494 6.816 23.392 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 35.889 7.139 24.885 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 35.945 5.666 25.248 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.088 5.148 26.413 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 33.849 4.525 26.129 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.151 3.856 27.151 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 35.570 5.191 27.745 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 34.880 4.521 28.774 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 33.688 3.846 28.451 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.016 3.150 29.428 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.429 3.305 30.262 0.00 0.00 A0 H -ATOM 134 C TYR A 14 36.950 7.570 23.849 1.00 0.00 A0 C -ATOM 135 O TYR A 14 36.668 7.662 22.665 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.147 7.860 24.383 1.00 0.00 A0 N -ATOM 137 H TYR A 15 38.513 7.286 25.112 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 38.850 9.139 24.509 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.532 8.960 26.018 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.230 9.912 27.129 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.223 10.146 28.068 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 38.934 10.876 29.210 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 36.959 10.434 27.288 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.670 11.225 28.412 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.682 11.476 29.324 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.495 12.397 30.313 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 37.658 13.242 29.921 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.278 8.655 23.888 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.386 7.483 23.622 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.393 9.426 23.561 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.045 10.268 23.359 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.936 9.346 23.380 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 42.934 8.490 22.064 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 42.193 8.866 20.825 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.222 7.820 21.822 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.772 10.831 23.345 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.224 11.402 22.430 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.771 11.523 24.284 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.335 11.410 25.190 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.635 12.886 24.457 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 46.147 13.205 25.992 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.906 14.627 26.430 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.296 15.313 27.843 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.382 15.719 28.545 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.473 15.517 28.219 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.813 13.633 23.607 1.00 0.00 A0 C -ATOM 167 O GLU A 17 47.936 13.592 24.076 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.659 14.305 22.377 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.848 14.886 22.205 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.764 14.252 21.331 1.00 0.00 A0 C -ATOM 171 CB MET A 18 47.865 13.563 19.814 1.00 0.00 A0 C -ATOM 172 CG MET A 18 47.308 13.193 18.387 1.00 0.00 A0 C -ATOM 173 SD MET A 18 46.657 11.496 18.351 1.00 0.00 A0 S -ATOM 174 CE MET A 18 46.922 10.282 17.019 1.00 0.00 A0 C -ATOM 175 C MET A 18 48.326 15.566 21.066 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.705 16.614 21.058 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.558 15.372 20.638 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.971 14.464 20.527 0.00 0.00 A0 H -ATOM 179 CA THR A 19 50.111 16.506 19.989 1.00 0.00 A0 C -ATOM 180 CB THR A 19 51.361 16.819 20.732 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 52.074 15.614 20.994 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.917 15.889 21.313 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.922 17.470 22.044 1.00 0.00 A0 C -ATOM 184 C THR A 19 50.245 16.153 18.563 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.691 15.103 18.117 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.735 17.153 17.885 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.328 17.915 18.387 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 49.997 17.158 16.476 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.700 17.023 15.684 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 48.048 15.663 15.927 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.749 18.149 16.022 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.763 18.420 16.200 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.516 19.480 16.763 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.755 18.227 15.332 1.00 0.00 A0 N -ATOM 195 H GLY A 21 51.927 17.324 14.942 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.544 19.392 14.976 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.730 19.713 15.851 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.984 19.124 16.896 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.433 20.726 15.321 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.145 21.073 14.428 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.600 21.300 15.981 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.880 20.808 15.303 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.868 19.381 15.208 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.570 19.144 14.617 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.529 22.815 15.892 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.647 23.367 14.808 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.327 23.502 17.048 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.223 24.959 17.063 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.225 22.914 18.392 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.372 24.157 19.284 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.771 25.301 18.474 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.929 22.148 18.637 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.890 22.429 18.051 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.056 21.132 19.535 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.282 20.721 20.220 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.925 20.271 19.890 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.511 19.429 21.020 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.990 19.314 20.715 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.659 20.991 20.292 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.616 21.785 21.225 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.623 20.651 19.515 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.712 19.947 18.812 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.322 21.162 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.506 21.563 18.675 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.181 22.757 18.011 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.171 16.801 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.170 23.270 16.830 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.155 23.397 15.725 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.151 23.331 15.781 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.728 23.634 14.854 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.636 20.107 20.678 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.274 19.051 20.173 1.00 0.00 A0 O -ATOM 233 N THR A 26 48.509 20.469 21.972 1.00 0.00 A0 N -ATOM 234 H THR A 26 48.492 21.435 22.212 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.844 19.544 22.858 1.00 0.00 A0 C -ATOM 236 CB THR A 26 48.001 19.809 24.341 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 49.383 19.847 24.649 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 49.450 19.704 25.581 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 47.305 18.748 25.207 1.00 0.00 A0 C -ATOM 240 C THR A 26 46.432 19.737 22.489 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.817 20.792 22.591 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.993 18.625 21.917 1.00 0.00 A0 N -ATOM 243 H LEU A 27 46.528 17.776 21.877 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 44.594 18.634 21.600 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 44.551 18.049 20.218 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.922 19.172 19.277 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 45.137 18.608 17.906 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 43.960 20.324 19.383 1.00 0.00 A0 C -ATOM 249 C LEU A 27 44.127 17.857 22.767 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.612 18.229 23.835 1.00 0.00 A0 O -ATOM 251 N ASN A 28 43.287 16.803 22.499 1.00 0.00 A0 N -ATOM 252 H ASN A 28 42.537 17.238 22.042 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 43.222 15.367 22.839 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 43.786 15.629 24.324 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 43.507 15.822 25.880 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 44.180 15.198 26.697 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 42.474 16.560 26.367 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 41.739 16.996 25.811 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 42.641 16.653 27.384 0.00 0.00 A0 H -ATOM 260 C ASN A 28 41.980 14.795 21.924 1.00 0.00 A0 C -ATOM 261 O ASN A 28 41.371 15.772 21.487 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.652 13.410 21.488 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.578 12.792 22.256 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.829 12.723 20.293 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 41.610 11.913 19.123 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 40.981 10.776 18.418 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 42.408 12.376 17.859 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 41.630 12.925 16.826 1.00 0.00 A0 C -ATOM 269 C ILE A 29 39.860 11.514 20.767 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.216 10.934 21.759 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.712 11.048 20.097 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.304 11.605 19.385 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.000 9.714 20.284 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.591 9.697 19.584 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.585 8.538 19.872 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.610 8.913 20.972 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.795 8.008 18.678 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.629 8.353 19.805 1.00 0.00 A0 C -ATOM 279 O LEU A 30 38.947 8.162 18.634 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.710 7.371 20.756 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.357 7.555 21.672 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.049 5.995 20.331 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.729 5.159 21.443 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 39.733 3.627 21.284 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 41.189 5.549 21.458 1.00 0.00 A0 C -ATOM 286 C VAL A 31 37.911 5.226 19.691 1.00 0.00 A0 C -ATOM 287 O VAL A 31 36.878 4.931 20.281 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.197 4.907 18.417 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.063 5.207 18.018 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.183 4.258 17.598 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.550 5.311 16.679 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.371 4.787 15.870 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.797 3.766 16.231 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.029 5.409 14.869 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.732 3.093 16.801 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.367 3.273 15.771 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.412 1.887 17.309 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.862 1.822 18.142 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.821 0.686 16.577 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.953 -0.518 17.518 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.685 -0.880 18.071 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.823 -1.663 18.587 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.968 -0.259 18.629 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.973 0.314 15.365 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.260 -0.655 14.675 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.921 1.125 15.133 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.735 1.904 15.730 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 35.074 0.853 13.971 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.203 1.818 12.802 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.849 11.920 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.318 2.579 12.816 1.00 0.00 A0 N -ATOM 312 H SER A 35 36.920 2.579 13.615 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.680 3.349 11.622 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.121 4.778 11.669 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.781 5.548 12.677 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.324 6.377 12.724 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.181 3.344 11.432 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.891 2.751 12.231 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.642 4.019 10.358 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.022 4.454 9.707 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.087 3.982 10.122 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.408 2.924 9.076 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.867 1.687 9.535 1.00 0.00 A0 O -ATOM 324 HG SER A 36 39.961 1.060 8.835 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.752 5.304 9.786 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.349 9.330 1.00 0.00 A0 O -ATOM 327 N ASN A 37 39.986 6.382 10.042 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.069 6.286 10.424 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.553 7.703 9.797 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.595 8.578 8.990 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.537 8.093 7.560 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.880 7.113 7.233 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.262 8.850 6.720 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.787 9.636 7.047 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.287 8.633 5.746 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.942 8.434 11.057 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.197 8.533 12.025 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.165 8.975 10.954 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.706 8.834 10.126 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.606 9.932 11.955 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.703 12.237 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.670 10.669 13.253 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.948 11.217 13.014 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.938 11.010 14.411 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.481 12.156 13.916 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.473 11.954 15.304 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.722 12.545 15.036 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.297 11.327 11.461 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.816 11.785 10.454 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.389 11.952 12.219 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.998 11.528 13.030 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.919 13.261 11.841 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.566 13.196 11.150 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.746 14.073 13.073 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.280 13.654 14.115 1.00 0.00 A0 O -ATOM 356 N VAL A 40 41.177 15.304 12.873 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.409 15.656 11.979 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.868 16.355 13.792 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.099 16.881 14.492 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.868 15.598 14.796 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 43.218 17.376 13.621 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.354 17.378 12.895 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.901 17.624 11.840 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.295 17.937 13.431 1.00 0.00 A0 N -ATOM 365 H GLY A 41 39.027 17.336 14.181 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.925 19.324 13.248 1.00 0.00 A0 C -ATOM 367 C GLY A 41 40.131 20.233 13.250 1.00 0.00 A0 C -ATOM 368 O GLY A 41 41.033 20.136 14.058 1.00 0.00 A0 O -ATOM 369 N ALA A 42 40.111 21.113 12.265 1.00 0.00 A0 N -ATOM 370 H ALA A 42 39.193 21.228 11.878 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 41.209 22.066 12.057 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 42.122 21.575 10.928 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.577 23.408 11.706 1.00 0.00 A0 C -ATOM 374 O ALA A 42 41.181 24.377 11.241 1.00 0.00 A0 O -ATOM 375 N ALA A 43 39.261 23.345 11.996 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.815 22.645 11.427 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.739 23.577 13.344 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.499 24.370 12.816 1.00 0.00 A0 C -ATOM 379 C ALA A 43 38.580 22.247 14.320 1.00 0.00 A0 C -ATOM 380 O ALA A 43 37.471 21.718 14.186 1.00 0.00 A0 O -ATOM 381 N PRO A 44 39.284 22.018 15.623 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 38.802 23.247 16.216 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 40.199 21.080 16.663 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 39.315 21.559 17.759 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 38.228 22.572 17.467 1.00 0.00 A0 C -ATOM 386 C PRO A 44 41.161 19.868 17.546 1.00 0.00 A0 C -ATOM 387 O PRO A 44 41.262 20.267 18.647 1.00 0.00 A0 O -ATOM 388 N HIS A 45 41.906 18.547 17.476 1.00 0.00 A0 N -ATOM 389 H HIS A 45 42.486 18.423 16.705 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 42.043 17.278 18.526 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 40.662 16.698 18.534 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 39.584 17.412 17.776 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 38.525 18.047 18.281 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 38.086 17.971 19.129 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 39.434 17.572 16.430 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 38.310 18.308 16.196 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 37.742 18.612 17.353 1.00 0.00 A0 C -ATOM 398 C HIS A 45 43.087 15.749 18.626 1.00 0.00 A0 C -ATOM 399 O HIS A 45 43.371 15.488 17.496 1.00 0.00 A0 O -ATOM 400 N SER A 46P 43.685 14.678 19.591 1.00 0.00 A0 N -ATOM 401 H SER A 46P 43.853 15.292 20.287 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 44.481 13.269 19.843 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 44.956 12.815 21.153 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 46.199 11.962 21.319 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 46.329 11.656 22.232 0.00 0.00 A0 H -ATOM 406 C SER A 46P 44.295 11.668 19.659 1.00 0.00 A0 C -ATOM 407 O SER A 46P 44.626 10.563 20.062 1.00 0.00 A0 O -ATOM 408 N PRO A 46 42.552 12.468 25.830 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 41.662 13.601 25.624 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 41.789 11.367 25.794 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 41.317 12.000 24.350 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 40.685 13.212 24.608 1.00 0.00 A1 C -ATOM 413 C PRO A 46 42.508 10.061 26.513 1.00 0.00 A1 C -ATOM 414 O PRO A 46 41.702 9.899 27.385 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 43.673 9.083 26.533 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 43.475 8.433 27.251 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 44.935 8.234 26.270 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 44.802 6.658 25.977 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 45.515 5.504 26.613 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 46.597 5.122 25.829 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 45.118 4.862 27.810 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 47.416 4.124 26.345 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 45.955 3.835 28.280 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 47.137 3.508 27.584 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 45.825 8.472 27.389 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 45.734 8.167 28.538 1.00 0.00 A1 O -ATOM 427 N PHE A 47 35.176 12.233 26.332 1.00 0.00 A2 N -ATOM 428 H PHE A 47 35.512 11.314 26.078 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 36.226 13.249 26.062 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 35.270 14.331 25.399 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 35.204 15.191 24.029 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 34.176 15.004 23.112 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 35.883 16.415 23.798 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 33.486 16.116 22.614 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 35.249 17.602 23.456 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 33.905 17.380 23.099 1.00 0.00 A2 C -ATOM 437 C PHE A 47 37.210 13.578 27.234 1.00 0.00 A2 C -ATOM 438 O PHE A 47 36.471 14.039 28.077 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 38.689 13.394 27.383 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 38.614 12.723 26.651 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 39.816 13.633 28.560 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 41.519 13.502 28.748 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 42.167 14.089 30.116 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 42.465 12.318 28.769 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 39.631 14.841 29.355 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 38.828 14.808 30.260 1.00 0.00 A2 O -ATOM 447 N LEU A 48 36.052 22.721 19.108 1.00 0.00 A3 N -ATOM 448 H LEU A 48 36.621 23.559 19.150 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 35.170 22.401 20.172 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.474 20.956 20.518 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 34.735 19.831 19.866 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 34.502 19.850 18.326 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.332 18.703 20.619 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.530 23.402 21.256 1.00 0.00 A3 C -ATOM 455 O LEU A 48 34.873 24.413 21.466 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.669 23.104 21.889 1.00 0.00 A3 N -ATOM 457 H HIS A 49 37.159 22.247 21.752 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 37.197 24.087 22.811 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.336 23.444 24.194 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 36.032 22.983 24.819 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.993 21.977 25.710 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.773 21.450 25.990 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.740 23.500 24.663 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.920 22.792 25.478 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.688 21.855 26.125 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.526 24.722 22.399 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.947 25.644 23.095 1.00 0.00 A3 O -ATOM 468 N ARG A 50 39.176 24.163 21.315 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.665 23.637 20.625 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 40.599 24.463 21.035 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.486 24.410 22.293 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 41.325 23.173 23.185 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.614 22.403 23.474 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.226 21.079 23.955 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.380 20.644 23.643 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 43.007 20.325 24.739 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 44.223 20.723 25.115 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.786 20.110 25.669 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 44.586 21.616 24.845 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.540 19.140 25.122 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.105 18.533 25.682 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.635 18.829 24.835 0.00 0.00 A3 H -ATOM 483 C ARG A 50 41.256 23.549 20.003 1.00 0.00 A3 C -ATOM 484 O ARG A 50 41.392 22.367 20.268 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.682 24.149 18.855 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.308 25.065 18.788 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 42.222 23.466 17.648 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 41.905 24.053 16.269 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 41.445 25.429 15.930 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.529 25.667 14.546 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.063 26.876 14.032 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 40.935 26.365 16.846 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 40.434 27.570 16.326 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.506 27.802 14.932 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.005 28.974 14.410 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.544 29.452 15.086 0.00 0.00 A3 H -ATOM 497 C TYR A 51 43.590 22.899 17.266 1.00 0.00 A3 C -ATOM 498 O TYR A 51 44.659 23.284 17.711 1.00 0.00 A3 O -ATOM 499 N TYR A 52 43.443 22.035 16.213 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.561 21.601 16.041 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.428 21.935 15.138 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.245 20.639 14.349 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.445 20.348 13.470 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.742 20.699 13.905 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.356 13.114 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.226 19.700 12.239 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.329 19.339 11.455 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.620 19.667 11.907 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.691 19.295 11.130 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.389 18.764 10.405 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.446 23.121 14.183 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.578 23.352 13.352 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.552 23.845 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.152 23.543 15.106 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.916 24.991 13.547 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.155 26.199 14.453 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.914 26.602 15.251 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.298 27.583 16.337 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.961 27.240 17.308 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.841 28.830 16.128 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.296 29.053 15.320 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.043 29.554 16.788 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.165 24.689 12.737 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.287 24.806 13.215 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.903 24.286 11.477 1.00 0.00 A3 N -ATOM 526 H ARG A 54 45.948 24.231 11.186 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.963 23.877 10.546 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.323 23.469 9.225 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.593 22.136 9.342 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.632 21.895 8.184 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.499 22.808 8.283 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.342 23.325 9.124 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.599 22.905 7.286 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.755 22.250 6.134 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 43.062 22.338 5.419 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.556 21.672 5.976 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.530 23.672 7.469 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.846 23.758 6.746 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.412 24.163 8.333 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.072 24.883 10.289 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.234 24.530 10.127 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.638 26.160 10.280 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.658 26.323 10.370 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.552 27.290 10.110 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.770 28.602 9.912 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.052 29.197 11.139 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.622 28.703 11.296 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.302 27.525 11.211 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.757 29.702 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.074 30.648 11.615 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.783 29.511 11.662 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.626 27.457 11.179 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.692 28.007 10.930 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.291 26.946 12.383 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.416 26.479 12.503 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.239 27.031 13.494 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.496 27.253 14.813 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.568 28.472 14.823 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.860 28.611 16.170 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.285 29.768 14.434 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.184 25.847 13.628 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.970 25.763 14.564 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.069 24.934 12.643 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.408 25.054 11.904 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.955 23.777 12.646 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.129 22.492 12.644 1.00 0.00 A3 C -ATOM 567 OG SER A 57 53.004 21.363 12.584 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.458 20.594 12.668 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.933 23.790 11.489 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.562 23.762 10.322 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.216 23.806 11.899 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.408 23.850 12.878 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.322 23.729 10.945 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.630 24.140 11.633 1.00 0.00 A3 C -ATOM 575 OG SER A 58 57.951 23.217 12.680 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.796 23.478 13.024 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.490 22.391 10.237 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.140 22.297 9.203 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.868 21.362 10.847 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.327 21.503 11.676 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.951 20.029 10.255 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.359 19.016 11.325 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.582 19.203 12.513 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.855 18.538 13.131 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.852 19.118 11.641 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.717 19.566 9.493 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.683 18.462 8.964 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.713 20.469 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.773 21.330 9.935 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.554 20.197 8.576 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.449 21.229 8.877 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.323 21.165 7.867 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.433 20.070 7.876 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.435 19.999 6.889 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.221 22.203 6.919 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.220 22.135 5.938 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.341 21.034 5.936 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.354 20.969 4.974 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.469 21.673 4.349 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.893 20.134 7.090 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.658 20.931 6.562 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.259 19.126 6.455 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.673 18.514 6.985 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.397 18.943 5.011 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.303 17.756 4.683 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.721 17.857 5.239 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.561 16.644 4.853 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.899 16.735 5.430 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.245 17.606 5.779 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.704 15.653 5.453 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.296 14.471 4.990 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 57.919 13.689 5.018 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.376 14.355 4.616 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.931 15.770 5.950 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.536 14.974 5.971 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.251 16.650 6.301 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.059 18.703 4.345 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.412 17.692 4.572 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.685 19.665 3.483 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.255 20.478 3.366 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.451 19.490 2.714 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.086 20.832 2.057 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.650 20.880 1.553 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.802 20.164 2.083 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.386 21.649 0.631 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.524 18.364 1.688 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.435 18.306 0.872 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.512 17.473 1.776 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.798 17.586 2.467 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.431 16.403 0.777 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.851 15.116 1.370 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.819 14.316 2.246 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.144 13.078 2.840 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.100 13.944 1.496 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.674 16.741 -0.498 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.618 15.936 -1.420 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.099 17.968 -0.506 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.216 18.566 0.287 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.352 18.491 -1.659 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.284 18.912 -2.806 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.623 19.461 -2.312 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.430 20.210 -3.376 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.765 21.451 -3.782 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.310 21.513 -4.671 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.728 22.533 -2.970 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.288 22.529 -1.759 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.235 23.345 -1.185 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.756 21.713 -1.418 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.112 23.633 -3.390 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.070 24.433 -2.792 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.693 23.663 -4.298 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.216 17.615 -2.163 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.014 17.421 -3.357 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.495 17.080 -1.161 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.744 17.287 -0.215 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.430 16.123 -1.437 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.038 14.718 -1.484 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.121 13.659 -2.091 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.812 12.302 -2.201 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.922 11.271 -2.892 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.642 9.996 -3.004 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.999 9.275 -3.388 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.455 10.112 -3.642 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.978 9.700 -2.065 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.351 16.218 -0.378 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.645 16.365 0.798 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.089 16.134 -0.841 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.912 16.003 -1.816 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 39.998 16.163 0.132 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.627 14.795 0.675 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.107 13.763 0.222 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.733 14.856 1.682 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.442 15.749 2.028 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.264 13.631 2.331 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.322 13.158 3.353 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.573 14.218 4.428 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 39.037 11.769 3.934 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.901 13.847 2.974 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.579 14.942 3.412 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.121 12.751 3.017 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.402 11.922 2.535 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.894 12.777 3.813 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.711 13.366 3.017 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.256 12.442 1.910 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.185 11.562 2.167 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.784 10.666 1.165 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.914 12.475 0.665 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.511 11.582 -0.339 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.458 10.683 -0.072 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.074 9.789 -1.049 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.583 9.937 -1.834 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.567 11.406 4.377 1.00 0.00 A3 C -ATOM 693 O TYR A 68 34.849 10.388 3.756 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.964 11.426 5.584 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.775 12.292 6.044 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.587 10.149 6.195 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.565 9.712 7.305 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.191 8.334 7.862 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 36.016 9.684 6.829 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.167 10.145 6.736 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.863 10.750 7.757 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.305 9.392 6.007 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.555 8.818 4.686 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.959 9.108 6.507 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.202 8.900 5.193 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.212 8.236 4.251 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.932 7.899 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.132 6.755 7.048 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.644 8.225 8.710 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.522 9.186 8.954 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.386 7.164 9.685 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.747 7.649 11.099 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.189 8.102 11.185 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.193 7.146 11.443 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.530 7.567 11.539 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.492 9.469 11.016 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.830 9.889 11.102 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.831 8.932 11.364 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.148 9.337 11.445 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.217 10.249 11.201 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.933 6.716 9.618 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.156 7.230 8.821 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.585 5.756 10.508 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.273 5.339 11.101 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.168 5.391 10.650 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.019 4.224 11.643 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.800 3.110 11.201 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.630 2.401 11.808 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.566 3.784 11.860 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.300 6.579 11.055 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.213 6.799 10.534 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.889 7.358 11.986 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.751 7.058 12.394 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.323 8.648 12.374 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.603 8.531 13.719 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.365 7.631 13.668 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.852 7.374 15.068 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.817 8.249 15.924 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.460 6.101 15.255 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.508 5.438 14.508 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.116 5.803 16.145 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.425 9.685 12.467 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.408 9.507 13.177 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.218 10.777 11.706 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.408 10.844 11.123 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.252 11.811 11.692 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.246 11.650 10.560 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.449 10.562 10.038 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.845 12.805 10.205 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.596 13.649 10.679 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.809 12.842 9.104 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.103 12.681 7.748 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 27.954 13.666 7.524 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.150 13.343 6.267 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.921 14.243 6.141 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.125 13.837 4.975 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.247 14.394 4.952 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.668 14.006 4.104 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.892 12.826 5.048 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.637 14.109 9.118 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.267 15.103 9.728 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.770 14.028 8.398 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.068 13.151 8.019 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.569 15.239 8.216 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.525 15.469 9.400 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.395 14.267 9.677 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.573 13.821 8.971 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.033 12.631 9.627 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.272 14.322 7.852 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.213 13.337 10.709 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.171 12.376 10.687 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.243 11.634 11.323 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.176 11.963 9.142 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.414 13.647 7.379 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.862 12.472 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.307 15.264 6.895 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.388 14.272 6.188 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.858 16.457 6.614 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.691 17.233 7.215 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.737 16.618 5.462 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.973 17.178 4.256 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.322 18.544 4.505 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.581 19.026 3.271 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.699 20.206 2.945 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.883 18.229 2.644 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.908 17.504 5.820 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.842 18.293 6.753 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.979 17.331 5.030 1.00 0.00 A3 N -ATOM 789 H GLY A 78 36.978 16.640 4.311 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.144 18.170 5.256 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.257 17.945 4.259 1.00 0.00 A3 C -ATOM 792 O GLY A 78 39.049 17.547 3.120 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.462 18.242 4.771 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.532 18.549 5.719 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.648 18.225 3.925 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.114 19.676 3.750 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.401 19.926 2.951 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.290 19.495 1.498 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.210 19.585 0.912 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.307 19.081 0.952 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.735 17.343 4.505 1.00 0.00 A3 C -ATOM 802 O GLU A 79 43.128 17.470 5.655 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.211 16.441 3.633 1.00 0.00 A3 N -ATOM 804 H LEU A 80 42.843 16.417 2.708 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.302 15.557 4.029 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.396 14.376 3.066 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.212 13.419 3.185 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.184 12.412 2.037 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.178 12.739 4.555 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.641 16.255 4.148 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.925 17.255 3.501 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.437 15.651 5.045 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.095 14.841 5.521 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.750 16.198 5.367 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.554 15.206 6.180 1.00 0.00 A3 C -ATOM 816 O GLY A 81 48.083 14.123 6.496 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.787 15.630 6.513 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.146 16.483 6.141 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.579 14.852 7.465 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.669 14.007 6.784 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.604 14.840 6.097 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.314 14.275 5.819 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.112 12.940 5.842 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.211 15.745 8.512 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.438 16.929 8.293 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.491 15.102 9.660 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.242 14.139 9.762 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.175 15.809 10.741 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.238 16.805 11.445 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.919 18.141 11.696 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.136 18.192 11.835 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.221 19.146 11.751 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.755 14.845 11.749 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.462 13.656 11.745 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.587 15.427 12.632 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.780 16.405 12.614 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.099 14.630 13.730 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.364 15.242 14.311 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.483 15.376 13.280 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.715 16.012 13.916 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.814 14.056 12.576 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.063 14.469 14.800 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.439 15.401 15.285 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.896 13.193 15.108 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.579 12.510 14.867 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.899 12.883 16.085 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.751 12.082 15.513 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.743 11.909 16.610 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.108 12.727 14.292 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.622 12.105 17.114 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.273 11.098 16.889 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.480 12.700 18.267 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.793 13.418 18.323 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.989 12.057 19.434 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.982 12.883 20.222 1.00 0.00 A3 C -ATOM 856 OG SER A 86 55.189 12.878 19.491 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.863 13.206 20.065 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.787 12.062 20.248 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.872 12.866 20.152 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.876 11.119 21.124 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.414 10.289 20.953 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 51.007 11.391 22.219 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 50.054 10.134 22.059 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 49.025 10.442 20.941 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 50.648 8.842 21.430 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 49.651 7.708 21.075 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.984 11.806 23.391 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.992 11.139 23.567 1.00 0.00 A3 O -ATOM 869 N PRO A 88 51.785 12.999 24.117 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 50.931 14.146 23.753 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 52.539 13.307 25.392 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 52.217 14.789 25.735 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.975 15.171 24.905 1.00 0.00 A3 C -ATOM 874 C PRO A 88 52.306 12.462 26.678 1.00 0.00 A3 C -ATOM 875 O PRO A 88 53.240 11.926 27.256 1.00 0.00 A3 O -ATOM 876 N HIS A 89 51.041 12.355 27.128 1.00 0.00 A3 N -ATOM 877 H HIS A 89 50.731 12.994 27.836 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.604 10.968 27.107 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 49.293 10.709 27.821 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 49.192 11.165 29.255 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.908 10.701 30.288 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.578 9.994 30.236 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.323 12.149 29.729 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.518 12.291 31.059 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.499 11.397 31.400 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.501 10.335 25.752 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.519 10.497 25.055 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.590 9.624 25.430 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.403 10.157 25.587 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.664 8.491 24.514 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.796 7.529 24.730 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.519 7.732 25.690 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.008 6.505 23.834 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.284 6.066 22.648 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.225 5.715 24.023 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.028 4.508 23.091 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.591 4.577 22.575 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.389 6.617 23.656 1.00 0.00 A3 C -ATOM 899 O PRO A 91 55.162 7.718 23.166 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.619 6.172 23.964 1.00 0.00 A3 N -ATOM 901 H ASN A 92 56.774 5.228 24.260 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.664 7.198 23.897 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.658 6.982 25.040 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.521 8.214 25.201 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.050 9.317 25.451 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.821 7.957 24.986 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 61.100 7.017 24.795 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.512 8.679 24.992 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.320 7.415 22.534 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.531 7.332 22.361 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.416 7.707 21.574 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.449 7.777 21.793 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.732 7.864 20.164 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.495 6.541 19.422 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.508 5.468 19.832 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.049 6.053 19.590 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.877 8.956 19.544 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.833 9.353 20.051 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.399 9.390 18.388 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.289 9.029 18.118 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.707 10.337 17.522 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.449 11.679 17.565 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.575 12.119 18.922 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.843 13.028 18.901 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.790 12.762 16.706 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.685 9.770 16.113 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.672 9.219 15.642 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.509 9.911 15.471 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.763 10.395 15.919 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.345 9.385 14.115 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.542 8.069 14.094 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.302 6.935 14.776 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.126 8.222 14.657 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.696 10.380 13.177 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.826 11.152 13.547 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.136 10.297 11.914 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.870 9.665 11.672 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.396 11.049 10.907 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.337 11.486 9.786 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.622 12.295 8.704 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.584 12.967 7.725 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.381 13.998 8.392 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.287 13.783 8.759 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.886 15.242 8.575 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.675 15.580 8.136 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.332 16.507 8.283 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.103 14.913 7.657 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.624 16.150 9.206 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.260 17.071 9.342 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.537 15.919 9.543 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.194 10.284 10.383 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.310 9.247 9.745 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.021 10.859 10.697 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.987 11.712 11.216 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.802 10.174 10.288 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.023 9.700 11.515 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.898 11.042 9.444 1.00 0.00 A3 C -ATOM 958 O ALA A 97 49.989 12.264 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 48.996 10.328 8.742 1.00 0.00 A3 N -ATOM 960 H ASN A 98 49.013 9.329 8.780 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 47.937 11.032 8.022 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.256 10.119 7.002 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.224 9.684 5.920 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.923 10.479 5.305 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.207 8.358 5.708 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.605 7.776 6.254 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.779 7.933 5.007 0.00 0.00 A3 H -ATOM 968 C ASN A 98 46.892 11.604 8.959 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.455 10.973 9.913 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.541 12.860 8.630 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.934 13.267 7.810 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.576 13.615 9.425 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.251 14.639 10.360 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.215 15.284 11.289 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.417 14.052 11.159 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 48.057 15.066 12.105 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.618 14.342 8.507 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.009 15.066 7.599 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.332 14.117 8.813 1.00 0.00 A3 N -ATOM 980 H ALA A 100 43.101 13.520 9.578 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.298 14.859 8.115 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.128 13.945 7.777 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.800 16.021 8.936 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.192 15.877 9.984 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.101 17.192 8.372 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.626 17.185 7.525 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.687 18.461 8.944 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.607 19.528 8.369 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.238 18.813 8.641 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.915 19.294 7.566 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.382 18.548 9.649 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.749 18.237 10.518 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 37.940 18.761 9.511 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.170 18.072 10.656 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.660 18.324 10.605 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.516 16.582 10.757 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.964 15.928 12.028 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.575 20.230 9.415 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.777 21.036 10.315 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.016 20.514 8.233 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.896 19.779 7.569 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.546 21.863 7.945 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.995 22.270 6.540 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.505 21.341 5.566 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.835 21.631 4.726 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.521 22.369 6.460 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.048 22.039 8.130 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.586 23.083 8.574 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.313 20.958 7.789 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.753 20.144 7.409 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.870 20.967 8.032 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.067 21.218 6.752 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.236 22.611 6.135 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.326 22.815 4.931 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.551 23.777 4.198 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.396 22.033 4.726 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.411 19.663 8.639 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.989 18.613 8.398 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.331 19.783 9.431 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.955 20.686 9.634 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.758 18.578 10.027 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.472 18.219 11.334 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.325 19.287 12.271 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.738 18.997 13.072 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.264 18.687 10.248 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.683 19.766 10.272 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.680 17.488 10.405 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.242 16.664 10.373 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.238 17.374 10.574 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.573 17.134 9.208 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.049 17.142 9.265 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.435 16.661 8.315 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.478 17.625 10.244 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.928 16.261 11.549 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.122 15.088 11.259 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.443 16.710 12.729 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.310 17.694 12.846 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.091 15.794 13.821 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.802 15.027 13.503 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.588 15.940 13.313 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.312 15.160 12.981 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.307 14.533 11.582 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.148 15.584 10.565 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.153 15.153 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.243 16.074 10.715 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.927 16.268 10.641 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.194 14.843 14.260 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.958 13.694 14.613 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.425 15.390 14.199 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.556 16.355 13.972 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.570 14.569 14.564 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.650 14.721 13.476 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.857 13.843 13.725 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 31.735 12.435 13.740 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.101 14.469 13.940 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 32.876 11.646 13.992 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.242 13.684 14.190 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.116 12.280 14.217 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.034 14.874 15.979 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.132 13.987 16.818 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.266 16.183 16.204 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.257 16.798 15.415 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.617 16.688 17.536 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.457 17.974 17.314 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.646 17.755 16.369 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.735 18.508 15.175 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.661 16.821 16.691 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 33.848 18.360 14.321 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 34.777 16.674 15.839 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 34.873 17.461 14.673 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.419 16.826 18.518 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.313 17.199 18.142 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 29.692 16.453 19.800 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.626 16.211 20.053 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.658 16.341 20.848 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.654 14.908 21.441 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.451 14.729 22.377 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.729 13.787 20.390 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.938 12.391 20.991 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 28.838 17.359 21.995 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 29.715 17.192 22.836 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 27.956 18.402 22.003 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.284 18.435 21.262 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.036 19.558 22.927 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.655 20.251 23.027 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.766 21.744 23.336 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.817 22.258 23.701 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.611 22.424 23.167 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.768 21.985 22.855 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.570 23.406 23.359 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.664 19.321 24.306 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.086 18.720 25.200 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 19.830 24.385 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.067 20.528 23.689 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.842 19.706 25.517 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.241 18.367 26.121 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 30.707 18.076 27.174 1.00 0.00 A3 O -ATOM 1098 N SER A 113 32.197 17.622 25.509 1.00 0.00 A3 N -ATOM 1099 H SER A 113 32.084 17.646 24.519 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.841 16.574 26.348 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.029 15.250 25.996 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 32.364 14.352 24.907 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 31.954 14.607 24.084 0.00 0.00 A3 H -ATOM 1104 C SER A 113 34.359 16.560 27.076 1.00 0.00 A3 C -ATOM 1105 O SER A 113 34.186 16.253 28.262 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 35.678 16.923 26.424 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 35.700 17.626 25.712 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 37.197 16.725 26.447 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 37.456 16.634 27.965 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.948 17.802 28.787 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 38.271 17.520 29.937 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 38.080 18.995 28.174 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.357 19.144 27.501 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.828 19.619 28.404 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 38.209 16.033 25.231 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 39.291 16.515 25.025 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 37.897 14.812 24.452 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 37.069 14.328 24.297 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 38.129 14.052 23.143 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 37.372 12.624 22.742 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.890 12.453 22.258 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 35.227 12.708 20.987 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.803 12.614 21.177 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.711 13.013 19.707 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.814 12.140 23.095 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.595 12.260 22.487 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.693 12.269 22.882 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.905 12.881 20.124 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.815 13.250 18.646 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.423 13.211 18.859 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.686 14.664 21.927 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 36.539 14.976 21.642 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.726 14.803 21.193 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.670 14.591 21.405 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.245 15.929 20.533 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 38.494 17.126 21.522 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.773 18.495 21.092 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.826 19.218 21.742 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 39.536 20.408 21.773 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.846 18.624 22.111 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 37.740 15.645 19.105 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 36.679 16.123 18.715 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.532 14.741 18.450 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 39.442 14.504 18.820 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 38.268 14.294 17.088 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.181 12.779 16.962 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 37.507 12.161 17.760 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 38.837 12.143 15.955 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.388 12.542 15.228 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.731 10.678 15.961 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.426 10.301 15.257 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.442 10.772 13.802 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.027 8.845 15.461 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.629 8.639 14.890 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 39.972 9.908 15.466 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.653 10.308 14.532 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.246 8.787 16.185 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.636 8.523 16.925 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.333 7.858 15.870 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.298 7.588 17.047 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.566 6.829 16.636 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.366 7.696 15.695 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.431 6.313 17.792 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.730 6.545 15.452 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.336 5.704 16.255 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.703 6.420 14.122 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 41.056 7.151 13.540 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.284 5.139 13.586 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.375 4.097 13.707 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.444 4.208 13.121 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 41.043 3.090 14.532 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.132 3.059 14.938 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 42.001 2.028 14.826 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.923 1.667 16.305 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.491 2.758 17.204 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.159 2.506 18.671 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.995 2.911 16.984 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.872 0.773 13.987 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.674 -0.144 14.104 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.832 0.772 13.131 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.222 1.560 13.080 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.660 -0.358 12.223 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.182 -0.491 11.837 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.557 -0.266 10.995 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.414 0.604 10.895 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.341 -1.229 10.077 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.567 -1.854 10.166 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.287 -1.402 8.973 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.307 -2.861 8.514 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.636 -3.805 9.648 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.586 -4.349 10.416 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.889 -5.278 11.423 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.985 -4.135 9.889 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.288 -5.063 10.899 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.235 -5.633 11.642 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.525 -6.573 12.610 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.453 -6.767 12.605 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.048 -0.515 7.767 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.976 0.038 7.566 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.124 -0.435 6.955 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.955 -0.922 7.222 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.147 0.406 5.754 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.447 0.177 4.980 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.990 0.269 4.781 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.623 1.219 4.103 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.429 -0.958 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.788 -1.669 5.361 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.338 -1.282 3.835 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 40.049 -2.783 3.957 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.166 -3.378 2.850 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.222 -4.902 2.823 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.770 -5.471 1.832 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.722 -5.518 3.766 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.082 -0.416 3.928 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.381 -0.208 2.945 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.847 0.106 5.151 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.464 -0.084 5.914 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.703 1.006 5.312 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.771 0.509 6.423 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.093 -0.803 6.020 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.502 0.402 7.763 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.569 0.151 8.944 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.037 2.482 5.508 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.190 3.277 5.900 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.308 2.818 5.202 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 39.962 2.125 4.906 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.691 4.228 5.238 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.210 4.376 5.353 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.217 5.003 4.024 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.077 4.478 2.926 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.969 6.294 4.302 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.103 6.631 5.232 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.568 7.213 3.242 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.330 7.994 3.688 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 36.102 7.112 3.931 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.661 6.354 2.677 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.395 5.654 2.892 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.350 4.830 3.457 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.261 6.134 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.264 7.252 1.609 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.412 7.583 1.204 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.111 7.765 1.465 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.116 5.479 2.516 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.275 5.830 2.105 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.093 4.638 3.058 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.719 8.141 2.885 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.521 8.480 3.743 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.813 8.547 1.590 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.877 9.443 1.143 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.882 8.187 0.506 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.253 9.205 -0.579 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.742 9.474 -0.371 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.956 6.737 0.032 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 37.992 6.198 -0.497 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.142 6.136 0.271 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.884 6.669 0.676 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.368 4.731 -0.065 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.645 4.549 -1.573 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.731 5.479 -2.089 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.861 5.388 -1.621 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.440 6.288 -2.968 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.449 4.110 0.809 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 41.995 4.753 1.698 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.732 2.824 0.504 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.217 2.358 -0.214 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.730 2.079 1.279 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.574 0.560 1.047 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.884 0.078 -0.369 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.463 0.819 -1.164 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.545 -1.066 -0.667 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.196 2.498 1.207 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.036 1.938 1.901 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.472 3.498 0.341 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.736 3.975 -0.137 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.854 3.976 0.246 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.158 4.505 -1.161 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.556 5.790 -1.352 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.515 5.941 -2.287 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.248 4.992 1.306 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.413 5.341 1.457 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.209 5.437 2.043 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.279 5.116 1.866 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.465 6.288 3.197 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.285 7.232 3.427 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.411 4.325 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.460 9.461 3.555 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.445 9.002 5.038 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.732 5.463 4.440 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.819 4.984 5.102 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.047 5.330 4.709 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.708 5.755 4.091 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.524 4.552 5.854 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.058 4.501 5.803 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.705 3.625 6.882 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.206 3.548 6.678 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.664 2.577 6.079 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.913 4.447 7.130 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 47.026 5.065 7.200 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.326 6.180 7.608 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.240 4.190 7.888 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.782 2.878 7.445 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.742 4.528 9.227 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.891 3.312 9.612 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.543 2.630 8.294 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.864 4.763 10.218 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.995 4.337 10.015 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.486 5.472 11.298 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.540 5.787 11.371 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.474 5.816 12.323 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.810 6.662 13.414 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.750 6.953 14.568 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.645 8.041 14.484 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.722 6.118 15.710 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.534 8.288 15.548 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.363 16.773 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.512 7.444 16.679 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.234 4.646 12.924 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.446 4.711 13.068 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.472 3.587 13.276 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.483 3.597 13.127 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.131 2.444 13.912 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.100 1.486 14.522 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.730 0.684 15.642 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.841 1.261 16.926 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.197 -0.625 15.391 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.427 0.520 17.971 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.783 -1.367 16.436 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.895 -0.786 17.716 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.118 1.701 13.026 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.130 1.193 13.488 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.787 1.703 11.717 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.927 2.113 11.415 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.149 10.731 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.032 0.988 9.372 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.922 -0.042 9.435 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.173 -1.193 9.081 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.808 0.310 9.819 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 51.005 1.944 10.570 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.076 1.377 10.401 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.844 3.284 10.661 1.00 0.00 A3 N -ATOM 1341 H SER A 139 49.927 3.663 10.772 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.005 4.181 10.653 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.566 5.645 10.551 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.747 5.839 9.397 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.646 6.775 9.292 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.917 4.030 11.856 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.134 4.061 11.744 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.252 3.847 13.015 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.254 3.834 12.998 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.947 3.650 14.285 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.909 3.608 15.411 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.472 3.440 16.825 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.342 4.619 17.259 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.353 3.162 17.823 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.839 2.421 14.310 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 55.013 2.497 14.639 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.220 1.289 13.919 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.263 1.327 13.636 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.957 0.024 13.864 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.964 -1.124 13.605 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.629 -2.484 13.369 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.969 -1.205 14.763 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.104 0.025 12.860 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.173 -0.523 13.105 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.827 0.696 11.724 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.944 1.152 11.613 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.830 0.763 10.662 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.158 1.201 9.359 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.774 0.552 8.120 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 55.043 0.926 6.830 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.623 0.200 5.614 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.910 0.618 4.399 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.334 0.151 3.572 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.907 0.352 4.470 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.989 1.650 4.293 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 57.047 1.622 10.972 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.162 1.328 10.559 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.772 2.700 11.731 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.849 2.847 12.086 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.845 3.640 12.051 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.316 5.071 11.985 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.844 5.443 10.580 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.150 6.785 10.615 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.552 7.713 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 55.068 6.832 9.822 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.794 6.038 9.280 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.524 7.667 9.765 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.561 3.409 13.370 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.610 3.989 13.620 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.947 2.544 14.208 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.083 2.112 13.952 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.548 2.284 15.519 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.758 2.984 16.637 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.471 2.388 16.809 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.060 2.829 17.540 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.620 4.485 16.389 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.705 0.800 15.814 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.434 -0.050 14.975 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.144 0.532 17.064 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.359 1.270 17.704 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.183 -0.861 17.510 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.450 -1.157 18.315 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.201 17.434 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.894 -0.830 17.866 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 63.112 -0.498 18.762 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.781 -1.632 16.107 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.083 -1.515 15.746 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.767 -1.022 16.827 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.980 -1.313 18.318 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.986 -2.401 18.882 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.946 -0.441 18.343 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 57.021 0.442 17.881 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.688 -0.806 19.002 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.729 0.401 19.000 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.322 0.065 19.506 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.328 1.559 19.801 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.044 -2.027 18.361 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.731 -2.037 17.176 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.868 -3.077 19.211 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.289 -3.150 20.608 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.221 -4.311 18.753 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.217 -5.183 20.014 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.344 -4.644 20.891 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.835 -4.075 18.180 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.147 -3.127 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.494 -4.972 17.235 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.097 -5.750 17.061 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.262 -4.797 16.468 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.452 -5.407 15.074 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.350 -4.970 14.128 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.794 -3.884 14.231 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.050 -5.902 13.208 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.568 -6.755 13.161 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.303 -5.755 12.559 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.009 -5.317 17.157 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.392 -6.286 16.735 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.672 -4.591 18.237 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.250 -3.819 18.495 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.458 -4.856 19.004 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.449 -6.239 19.693 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.319 -6.465 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 48.916 -7.757 21.649 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.820 -6.456 20.656 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.203 -3.760 20.012 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.104 -3.045 20.431 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.919 -3.683 20.386 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.236 -4.259 19.938 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.539 -2.785 21.470 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.209 -1.371 20.953 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.017 -1.354 20.019 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.208 -1.583 18.639 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.732 -1.097 20.547 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.098 -1.558 17.773 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.622 -1.072 19.682 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.816 -1.305 18.304 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.399 -3.390 22.253 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.763 -4.315 21.778 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.154 -2.841 23.453 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.749 -2.147 23.857 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 43.989 -3.332 24.181 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.384 -4.408 25.198 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.682 -4.158 25.732 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 45.801 -4.775 26.441 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.163 -2.220 24.791 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.608 -1.091 24.923 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 41.913 -2.588 25.122 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.617 -3.525 24.956 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 40.961 -1.600 25.626 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 39.952 -1.216 24.542 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.490 -0.259 23.482 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.541 -0.134 22.297 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 40.750 1.114 24.080 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.211 -2.079 26.851 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.470 -3.052 26.829 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.430 -1.300 27.921 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.031 -0.511 27.817 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.684 -1.475 29.162 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.649 -1.443 30.352 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 39.977 -1.637 31.718 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.855 -1.080 32.824 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.467 -0.026 32.696 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.883 -1.845 33.930 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.348 -2.688 33.986 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.446 -1.575 34.712 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.690 -0.340 29.285 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.005 0.730 29.779 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.468 -0.605 28.805 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.253 -1.489 28.394 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.473 0.454 28.972 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.489 0.500 27.797 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.149 0.459 26.411 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.144 0.756 25.299 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.354 1.376 26.286 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.737 0.279 30.278 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.220 -0.790 30.568 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.739 1.365 31.066 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.185 2.198 30.743 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.071 1.278 32.366 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.013 1.592 33.529 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.566 0.670 33.528 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.896 2.216 32.476 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.952 3.364 32.057 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.833 1.669 33.092 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.921 0.752 33.481 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.626 2.472 33.282 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.757 3.522 34.372 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.796 4.147 34.553 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.633 3.683 35.095 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.826 3.122 34.910 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.643 4.650 36.189 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.226 5.148 36.474 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.241 4.095 37.468 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.322 4.471 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.790 11.243 33.543 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.778 11.201 33.391 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.104 10.259 34.377 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.595 10.335 34.151 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.309 10.095 32.770 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.376 10.219 32.665 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.595 8.834 34.217 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.591 8.058 35.166 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.026 8.511 32.980 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.112 9.187 32.247 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.532 7.144 32.893 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 32.892 6.336 31.722 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.413 6.116 32.011 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 32.822 6.952 30.348 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.044 7.010 33.160 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.618 7.945 33.708 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.640 5.826 32.829 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.012 5.112 32.534 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.044 5.458 33.168 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.704 4.433 32.193 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 36.947 3.823 31.466 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.078 4.231 32.164 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.683 4.934 32.536 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.707 3.045 31.505 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.048 3.201 30.717 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.646 4.252 30.767 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.513 2.152 29.964 1.00 0.00 A4 N -ATOM 1541 H SER A 173 40.830 1.464 29.746 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.845 2.172 29.283 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.820 1.400 30.168 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.532 1.701 31.534 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.039 1.102 32.061 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.005 1.622 27.820 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.839 0.429 27.604 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.428 2.487 26.836 1.00 0.00 A4 N -ATOM 1549 H MET A 174 43.358 3.481 26.942 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 43.984 1.992 25.546 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 43.728 3.028 24.439 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 43.820 2.412 23.039 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 43.705 3.665 21.777 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.150 4.555 22.331 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.459 1.517 25.455 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.324 2.206 24.942 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 45.709 0.285 25.926 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 44.931 -0.169 26.350 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.067 -0.297 25.960 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.044 -1.649 26.686 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.455 -2.226 26.916 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.176 -1.578 27.947 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 46.900 -1.836 29.263 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.804 -0.479 24.629 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.624 -1.459 23.921 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.682 0.495 24.330 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 48.839 1.230 24.984 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.391 0.412 23.049 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.583 1.794 22.423 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.144 1.692 21.002 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.280 2.583 22.432 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.470 3.961 21.800 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.705 -0.346 23.084 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.669 0.009 23.752 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.668 -1.423 22.282 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.813 -1.631 21.807 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.835 -2.291 22.161 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.796 -3.546 23.010 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.770 -4.286 23.059 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.644 -3.771 23.681 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.867 -3.139 23.665 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.640 -5.011 24.453 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.395 -5.335 25.250 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.278 -4.945 24.931 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.693 -6.095 26.328 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.628 -6.438 26.410 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.710 -6.472 27.346 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.321 -7.957 27.179 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.326 -8.431 28.245 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.805 -8.248 25.766 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.674 -9.742 25.464 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.277 -6.227 28.743 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.362 -6.685 29.081 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.475 -5.491 29.541 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.609 -5.147 29.185 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.800 -5.334 30.959 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.633 -3.863 31.365 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.235 -3.467 32.706 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.629 -2.309 32.836 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.299 -4.290 33.617 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.928 -6.251 31.796 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.709 -6.136 31.843 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.650 -7.179 32.449 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.643 -7.172 32.333 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.015 -8.234 33.241 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.050 -9.307 33.582 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.448 -10.036 32.321 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.773 -11.097 31.847 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 47.982 -11.508 32.254 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.513 -9.756 31.459 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.469 -10.666 30.455 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.400 -11.491 30.693 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.256 -7.808 34.488 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.397 -8.532 34.976 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.595 -6.593 34.972 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.287 -6.035 34.516 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.875 -6.066 36.132 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.712 -4.991 36.835 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.781 -3.811 36.026 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.311 -3.183 36.498 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.462 -5.558 35.863 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.720 -5.255 36.789 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.131 -5.474 34.553 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.753 -5.840 33.863 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.815 -4.952 34.169 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 43.872 -4.065 32.920 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 44.723 -2.802 33.050 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.351 -1.791 31.973 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.613 -2.140 34.421 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.724 -5.979 33.952 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.611 -5.631 33.576 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.082 -7.254 34.200 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 44.014 -7.513 34.449 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 42.052 -8.277 34.067 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.890 -8.718 32.600 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.052 -9.552 32.110 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.214 -8.917 31.627 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.274 -9.708 31.157 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.928 -10.956 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.987 -11.746 31.679 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.144 -11.111 31.187 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.180 -11.889 30.716 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.961 -12.806 30.814 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.263 -9.457 34.993 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.346 -9.695 35.513 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.148 -10.189 35.152 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.301 -9.907 34.710 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.168 -11.430 35.914 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.279 -11.310 37.158 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.911 -11.112 36.785 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.410 -11.122 37.589 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.745 -10.185 38.086 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.720 -12.589 35.047 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.017 -12.419 34.057 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.174 -13.782 35.475 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.770 -13.826 36.276 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.830 -14.984 34.716 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.616 -15.129 33.427 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.689 -14.564 33.252 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.008 -15.922 32.526 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.127 -16.345 32.738 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.665 -16.144 31.239 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.518 -17.610 30.824 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 42.027 -18.459 31.857 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.865 -19.351 31.580 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.172 -15.241 30.124 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.016 -14.839 30.072 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.128 -14.975 29.209 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.060 -15.299 29.370 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.764 -14.371 27.926 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 42.959 -13.639 27.313 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.198 -12.214 27.815 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.618 -11.747 27.498 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.165 -11.231 27.258 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.263 -15.406 26.937 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.862 -16.455 26.731 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.119 -15.039 26.335 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.702 -14.166 26.581 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.509 -15.910 25.333 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.102 -16.312 25.764 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.149 -17.341 26.865 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.244 -18.773 26.720 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.262 -19.332 28.041 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.315 -19.619 25.592 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.112 -17.110 28.248 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.176 -18.277 28.945 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.163 -18.357 29.921 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.357 -20.729 28.208 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.407 -21.015 25.773 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.431 -21.565 27.073 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.450 -15.254 23.973 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 38.904 -14.172 23.804 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.054 -15.964 23.005 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.398 -16.886 23.180 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.189 -15.320 21.702 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.622 -15.433 21.176 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.622 -14.659 22.008 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.256 -15.285 23.102 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.233 -14.574 23.821 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.920 -13.332 21.641 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.899 -12.623 22.355 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.550 -13.257 23.432 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.527 -12.571 24.125 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.661 -11.715 23.739 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.217 -15.809 20.645 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.860 -16.978 20.557 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.831 -14.810 19.833 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.158 -13.888 20.030 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 38.006 -15.040 18.651 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.626 -14.375 18.837 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.757 -14.711 17.751 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.894 -14.397 17.987 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.681 -12.857 19.030 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.725 -14.513 17.421 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.320 -13.448 17.458 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.686 -15.288 16.312 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 38.088 -16.607 16.153 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.358 -14.819 15.095 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.170 -15.986 14.120 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.859 -17.206 14.985 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.798 -13.520 14.536 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.596 -13.280 14.535 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.749 -12.711 14.028 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.711 -12.959 14.123 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.336 -11.651 13.112 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.374 -10.516 13.038 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 39.932 -9.405 12.077 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.674 -9.946 14.425 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.820 -8.930 14.424 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 39.109 -12.256 11.742 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 40.031 -12.703 11.070 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.809 -12.262 11.385 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 37.137 -11.859 12.003 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.377 -12.871 10.128 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.852 -12.788 10.017 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.315 -13.655 8.878 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.819 -13.487 8.636 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.365 -14.423 7.611 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.839 -15.293 7.475 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.258 -14.169 6.887 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.031 7.031 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.756 -12.874 6.484 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 31.882 -12.331 7.678 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.839 -15.077 6.010 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.017 -14.903 5.468 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.343 -15.932 5.893 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.039 -12.273 8.897 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.533 -12.968 8.018 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.031 -10.928 8.916 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.587 -10.452 9.675 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.617 -10.158 7.826 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.565 -9.991 6.721 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 37.938 -9.084 5.545 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.760 -8.943 4.586 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.856 -7.728 3.779 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.722 -7.238 3.672 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.750 -7.265 3.157 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.578 -7.895 3.260 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.780 -7.531 2.782 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.486 -8.726 3.809 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.824 -6.157 2.427 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.010 -5.820 1.954 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.688 -5.659 2.350 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.115 -8.831 8.363 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.512 -8.225 9.241 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.266 -8.425 7.798 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.684 -8.970 7.070 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.895 -7.186 8.244 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.409 -7.342 8.126 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.914 -8.501 8.990 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.307 -8.895 8.550 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.441 -9.429 7.449 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.248 -8.680 9.311 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.391 -5.940 7.534 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 41.004 -5.419 6.610 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.234 -5.484 8.052 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.790 -6.019 8.772 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.630 -4.234 7.586 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.664 -4.460 6.395 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.480 -5.375 6.652 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.162 -5.270 6.074 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.373 -6.346 6.604 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.587 -4.363 5.158 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.411 -6.499 7.491 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.182 -7.070 7.468 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 34.918 -7.861 7.979 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.028 -6.495 6.207 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.240 -4.522 4.769 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.466 -5.582 5.290 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.070 -3.413 8.742 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.744 -2.534 9.260 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.853 -3.791 9.184 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.251 -4.373 8.644 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.489 -3.585 10.581 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.975 -3.716 10.759 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.158 -2.778 9.898 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.809 -1.512 10.409 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.998 -0.664 9.637 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.737 -3.207 8.622 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.931 -2.357 7.847 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.561 -1.102 8.370 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.744 -0.276 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.452 -0.729 6.844 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.148 -4.676 11.414 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.796 -5.572 10.885 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.919 -4.593 12.738 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.426 -3.821 13.138 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.274 -5.768 13.534 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.701 -5.356 14.945 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.045 -4.661 14.926 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.086 -3.259 15.063 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.331 -2.612 15.087 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.220 -5.430 14.791 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.467 -4.782 14.815 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.505 -3.381 14.966 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.723 -2.734 14.998 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.418 -3.334 14.767 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.156 -6.798 13.566 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.416 -6.930 14.534 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.070 -7.516 12.424 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.777 -7.410 11.725 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.975 -8.467 12.242 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.722 -8.733 10.748 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.365 -9.412 10.485 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.173 -9.887 9.052 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.087 -9.774 8.236 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.092 -10.397 8.761 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.186 -9.769 12.991 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.268 -10.337 13.004 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.199 13.623 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.267 -9.621 13.605 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.017 -11.474 14.332 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.061 -11.252 15.854 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.391 -10.628 16.279 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.865 -10.437 16.362 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.773 -12.259 13.942 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.901 -11.772 13.230 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.735 -13.504 14.460 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.510 -13.841 14.994 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.553 -14.337 14.237 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.906 -15.548 13.352 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.716 -16.493 13.153 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.466 -15.094 11.999 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.892 -16.254 11.096 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.894 -14.773 15.538 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.501 -15.395 16.400 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.596 -14.417 15.611 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.207 -13.891 14.859 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.740 -14.885 16.701 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.727 -13.797 17.093 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.874 -14.214 18.299 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.425 -12.454 17.323 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.447 -11.312 17.595 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.021 -16.172 16.332 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.304 -16.259 15.343 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.266 -17.180 17.185 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.827 -17.033 17.997 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.723 -18.501 16.883 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.836 -19.550 17.017 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 29.989 -19.211 16.070 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.335 -19.700 18.457 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.461 -18.905 17.640 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.807 -19.879 17.284 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.148 -18.110 18.691 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.731 -17.327 18.911 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 24.994 -18.413 19.546 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.308 -19.630 20.430 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.164 -20.186 21.286 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.611 -21.393 22.114 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.129 -22.446 21.242 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 24.982 -22.400 20.254 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.794 -23.510 21.737 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.011 -23.657 23.044 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.502 -24.464 23.372 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.688 -22.975 23.700 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.240 -24.433 20.890 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.730 -25.233 21.233 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 26.084 -24.326 19.907 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.627 -17.213 20.402 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.488 -16.461 20.835 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.307 -17.066 20.634 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.650 -17.687 20.207 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.873 -16.049 21.594 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.258 -14.817 20.894 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.849 -13.726 21.892 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.192 -14.220 19.840 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.886 -16.654 22.578 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 20.982 -17.385 22.199 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.110 -16.309 23.861 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.896 -15.741 24.096 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.158 -16.701 24.896 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.759 -17.753 25.830 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.235 -19.025 25.119 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.781 -20.030 26.118 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.444 -19.627 27.074 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.540 -21.221 25.931 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.712 -15.499 25.702 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.435 -14.523 25.844 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.476 -15.613 26.222 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.912 -16.405 26.001 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 18.951 -14.583 27.116 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.930 -13.692 26.379 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.302 -12.661 27.315 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.560 -12.995 25.166 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.589 -12.103 24.393 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.340 -15.254 28.335 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.339 -15.953 28.238 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.035 -15.037 29.478 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.799 -14.395 29.459 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.771 -15.787 30.715 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.424 -15.415 31.352 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.579 -14.273 32.338 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.672 -13.864 32.711 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.398 -13.776 32.747 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.538 -14.170 32.422 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.362 -13.001 33.377 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.901 -17.297 30.584 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.118 -18.064 31.131 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.939 -17.681 29.810 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.521 -16.993 29.377 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.166 -19.106 29.566 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.312 -19.748 28.481 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.411 -20.943 28.228 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.462 -18.907 27.857 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.443 -17.934 28.090 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.574 -19.433 26.823 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.172 -18.845 27.006 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.066 -19.560 26.219 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.103 -20.358 27.097 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.132 -20.911 26.594 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.372 -20.395 28.421 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.163 -19.975 28.865 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.736 -20.879 29.022 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.077 -19.133 25.427 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.234 -17.983 25.043 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.294 -20.225 24.667 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.134 -21.139 25.040 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.714 -20.045 23.275 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.996 -21.426 22.662 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 20.102 -21.406 21.615 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 20.152 -20.488 20.797 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.913 -22.330 21.619 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.680 -19.281 22.457 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.495 -19.590 22.493 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.187 -18.265 21.723 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.168 -18.083 21.730 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.304 -17.531 20.811 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 17.977 -16.283 20.228 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 17.938 -15.026 21.101 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.408 -13.806 20.305 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.557 -14.774 21.710 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.771 -18.362 19.660 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.745 -18.046 19.070 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.530 -19.449 19.385 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.356 -19.607 19.925 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.173 -20.422 18.354 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 15.983 -21.282 18.773 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.420 -22.426 19.677 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.295 -23.439 19.865 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.826 -24.796 20.323 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.769 -25.299 19.312 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.072 -26.261 19.563 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.309 -25.310 18.379 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.599 -24.673 19.275 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 16.970 -19.866 16.966 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.042 -20.219 16.248 1.00 0.00 A4 O -ATOM 1967 N MET A 215 17.908 -18.970 16.624 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.642 -18.708 17.252 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.890 -18.493 15.251 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.063 -16.972 15.227 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 17.012 -16.254 16.080 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.170 -14.463 16.043 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.815 -14.237 14.298 1.00 0.00 A4 C -ATOM 1974 C MET A 215 18.965 -19.189 14.450 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.861 -19.822 14.996 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.852 -19.007 13.118 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.052 -18.538 12.744 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.994 -19.333 12.264 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.582 -19.122 10.796 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.522 -19.764 9.783 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.737 -19.746 9.978 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.025 -20.275 8.781 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.151 -18.431 12.659 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 20.991 -17.223 12.752 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.307 -19.068 12.931 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.367 -20.065 12.884 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.434 -18.256 13.394 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.530 -19.145 13.983 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.318 -20.217 12.760 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 24.002 -17.233 12.410 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.729 -16.326 12.795 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.589 -17.398 11.129 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 23.042 -18.201 10.894 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.827 -16.367 10.112 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.409 -16.830 8.720 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.471 -17.624 7.973 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.076 -17.843 6.511 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.103 -18.649 5.712 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.141 -20.032 6.207 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.880 -20.563 5.703 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.349 -20.030 7.225 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.217 -20.482 6.050 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.141 -15.037 10.352 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.667 -13.987 10.005 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.942 -15.137 10.967 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.576 -16.044 11.168 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.187 -13.939 11.347 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.837 -14.311 11.967 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.911 -15.192 11.114 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.336 -14.470 9.904 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.333 -13.239 9.869 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.870 -15.157 8.997 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.920 -13.015 12.304 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.788 -11.799 12.243 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.723 -13.665 13.177 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.779 -14.664 13.157 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.560 -12.905 14.108 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.175 -13.820 15.179 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.156 -14.675 15.910 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.521 -15.997 16.238 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.606 -16.814 16.923 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.893 -14.151 16.260 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 20.975 -14.967 16.940 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.345 -16.288 17.265 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.448 -17.092 17.940 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.646 -16.613 18.099 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.670 -12.101 13.447 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.156 -11.117 13.988 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.041 -12.576 12.242 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.605 -13.392 11.866 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.119 -11.918 11.505 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.311 -12.863 11.325 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.733 -13.441 12.656 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.308 -12.770 13.500 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.405 -14.734 12.791 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.909 -15.204 12.062 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.646 -15.243 13.615 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.696 -11.395 10.145 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.463 -11.428 9.192 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.436 -10.920 10.097 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.862 -10.938 10.915 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.924 -10.353 8.848 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.549 -10.985 8.566 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.841 -10.364 7.379 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.344 -10.571 6.078 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.672 -9.992 4.988 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.684 -9.594 7.616 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.012 -9.016 6.526 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.515 -9.224 5.226 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.856 -8.660 4.152 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.090 -8.189 4.453 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.854 -8.834 8.929 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.032 -8.299 9.660 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.728 -8.133 8.171 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.724 -7.142 8.294 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.674 -8.704 7.208 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.672 -7.859 5.916 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.118 -6.402 6.085 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.364 -5.951 7.204 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.217 -5.714 5.071 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.097 -8.956 7.703 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.932 -9.487 6.980 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.320 -8.551 8.973 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.575 -8.121 9.483 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.617 -8.727 9.633 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.659 -7.748 9.069 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.222 -6.284 9.163 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.271 -5.306 8.640 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.788 -3.856 8.696 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.657 -3.672 7.775 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.340 -2.683 7.813 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.959 -3.904 6.808 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.876 -4.299 8.054 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.474 -8.532 11.132 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.440 -8.090 11.609 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.562 -8.851 11.856 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.346 -9.306 11.435 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.579 -8.457 13.266 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.316 -9.650 14.181 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 27.987 -10.126 13.964 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.893 -10.914 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.898 -7.818 13.613 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.945 -8.310 13.228 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.676 14.321 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 29.937 -6.310 14.619 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.066 -5.954 14.560 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.188 -4.723 13.638 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 32.067 -5.128 12.167 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.198 -3.605 13.985 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.453 -2.327 13.183 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.263 -5.564 16.011 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.323 -5.508 16.789 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.539 -5.282 16.335 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.271 -5.421 15.669 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.800 -4.682 17.643 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.879 -5.472 18.402 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.104 -4.917 19.812 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.536 -6.965 18.456 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.171 -3.215 17.484 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.130 -2.864 16.807 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.319 -2.381 18.115 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.582 -2.763 18.671 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.344 -0.953 17.801 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.240 -0.699 16.762 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.200 0.701 16.165 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.011 1.547 16.531 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.342 0.937 15.317 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.200 -0.067 19.032 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.115 0.119 19.565 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.359 0.499 19.432 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.205 0.308 18.937 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.367 1.408 20.582 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.784 1.528 21.158 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.656 2.152 20.212 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.501 2.245 20.632 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.747 2.786 20.370 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.426 3.485 21.323 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.581 3.139 19.078 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.859 2.522 18.342 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 32.936 4.419 18.776 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.434 4.381 18.530 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.818 5.398 18.235 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.864 3.171 18.694 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.414 2.357 18.878 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.409 3.106 18.806 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.880 1.960 17.935 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.125 2.260 16.559 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.870 1.494 16.062 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.395 1.651 18.144 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.058 2.906 20.263 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.744 2.178 20.962 1.00 0.00 A4 O -ATOM 2132 N THR A 232 27.980 3.587 20.699 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.447 4.161 20.078 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.575 3.402 22.092 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.661 4.557 22.525 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.308 5.811 22.291 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.716 6.483 22.603 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.242 4.455 23.992 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.923 2.053 22.366 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.302 1.328 23.276 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.907 1.768 21.531 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.726 2.364 20.749 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.022 0.641 21.822 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.623 0.930 21.263 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.966 2.107 21.961 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.481 2.689 22.908 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.776 2.428 21.428 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.392 1.901 20.669 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.256 3.203 21.787 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.488 -0.711 21.313 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.394 -0.833 20.498 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.747 -1.724 21.813 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 24.120 -1.537 22.567 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.665 -3.003 21.111 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.267 -4.113 22.091 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 24.022 -5.498 21.470 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.271 -6.082 20.804 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.398 -6.462 22.480 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.641 -2.906 19.998 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.454 -2.730 20.232 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.168 -3.026 18.770 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.143 -3.189 18.639 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.258 -2.973 17.635 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.745 -1.944 16.613 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.062 -0.599 17.271 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.507 0.487 16.289 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.403 0.957 15.455 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.189 0.501 14.592 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.629 1.988 15.859 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.608 2.363 15.096 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.020 3.118 15.387 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.427 1.892 14.233 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.863 2.640 17.001 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.261 3.391 17.272 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.630 2.385 17.590 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.064 -4.344 17.029 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 23.998 -5.106 16.836 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.782 -4.639 16.778 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 21.064 -3.967 16.951 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.441 -5.975 16.304 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.605 -6.705 17.360 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.312 -6.969 18.689 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.331 -7.482 19.743 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.511 -7.905 18.530 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.643 -5.879 15.026 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.764 -5.035 14.916 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.952 -6.792 14.062 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 22.008 -7.795 14.128 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.166 -6.874 12.819 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.709 -8.144 12.157 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.121 -8.323 12.708 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -7.003 13.123 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.344 -7.584 14.139 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.852 -6.423 12.233 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.250 -5.948 11.449 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.355 12.465 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -6.087 11.143 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.164 -5.836 11.295 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.462 -5.658 9.947 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 11.963 -5.360 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.256 -6.497 10.675 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.240 -6.281 10.729 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.397 -7.351 10.098 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.624 -6.662 11.634 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.764 -7.538 13.183 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.121 -7.393 14.212 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 16.010 -8.717 12.583 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.572 -8.736 11.757 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.424 -9.952 13.096 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.622 -11.038 12.040 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.588 -12.155 12.127 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.636 -13.067 10.905 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.580 -14.167 10.976 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.436 -14.774 9.647 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.715 -15.522 9.684 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.136 -14.037 8.976 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.344 -15.175 9.338 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.876 -10.392 14.485 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.087 -10.872 15.289 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.186 -10.172 14.732 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.759 -9.768 14.019 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.749 -10.453 16.058 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.285 -10.501 15.992 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.916 -10.932 17.321 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.752 -11.404 14.852 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.289 -9.485 17.140 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 17.031 -9.874 18.270 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.175 -8.206 16.720 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.412 -7.989 15.777 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.660 -7.144 17.585 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.778 -5.789 16.865 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.241 -4.641 17.698 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 17.015 -4.118 18.758 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.968 -4.108 17.393 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.512 -3.040 19.514 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.466 -3.031 18.149 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.247 -2.502 19.197 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.241 -7.390 18.059 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.920 -7.169 19.215 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.413 -7.869 17.112 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.758 -8.041 16.190 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.019 -8.150 17.455 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.209 -8.413 16.188 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.174 -7.192 15.265 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.478 -7.530 13.961 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.821 -8.539 13.344 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.597 -6.770 13.562 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.832 -9.281 18.447 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.039 -9.186 19.374 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.633 -10.344 18.217 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.235 -10.343 17.419 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.636 -11.485 19.134 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.466 -12.626 18.544 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.162 -11.175 20.526 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.644 -11.651 21.529 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.218 -10.335 20.525 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.553 -9.974 19.656 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.860 -9.934 21.774 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.195 -9.241 21.499 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 15.017 -9.027 22.643 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.913 -9.231 23.842 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.400 -8.032 21.974 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.529 -7.962 20.987 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.503 -7.111 22.674 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.169 -5.908 21.776 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 12.113 -4.965 22.355 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.449 -5.124 21.506 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.254 -7.778 23.218 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.832 -7.491 24.327 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.714 -8.713 22.408 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 12.106 -8.860 21.501 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.590 -9.535 22.869 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.147 -10.465 21.733 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 8.985 -11.392 22.096 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.642 -12.388 20.990 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.626 -13.424 21.470 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.280 -14.324 20.362 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.682 -15.097 20.719 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.760 -13.788 19.638 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.148 -14.719 19.947 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.881 -10.329 24.138 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.062 -10.418 25.045 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.112 -10.880 24.151 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.717 -10.745 23.366 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.573 -11.646 25.309 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.818 -12.444 24.914 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.217 -13.307 25.982 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.060 -13.667 25.737 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.824 -10.824 26.566 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.511 -11.248 27.671 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.395 -9.621 26.336 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.578 -9.339 25.395 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.664 -8.704 27.449 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.673 -7.617 27.019 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.945 -6.578 28.115 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 15.991 -8.255 26.567 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.977 -7.246 25.973 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.403 -8.098 28.053 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.311 -7.900 29.258 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.422 -7.849 27.156 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.572 -8.087 26.198 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.113 -7.355 27.593 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.196 -7.030 26.411 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.529 -5.754 25.643 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.509 -5.493 24.532 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.816 -4.213 23.757 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.804 -3.972 22.721 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.065 -3.120 22.183 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.760 -4.788 22.079 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.876 -3.827 23.168 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.373 -8.329 28.481 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.807 -7.954 29.498 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.424 -9.603 28.039 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.913 -9.808 27.191 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.775 -10.681 28.784 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.820 -11.977 27.974 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.371 -10.941 30.156 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.665 -11.197 31.124 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.715 -10.832 30.192 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.221 -10.623 29.355 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.423 -10.970 31.464 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.926 -11.089 31.215 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.172 -9.836 32.447 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.159 -10.027 33.657 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.955 -8.645 31.853 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.977 -8.569 30.856 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.662 -7.471 32.671 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.581 -6.318 32.256 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.284 -5.898 30.921 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.843 -5.154 30.739 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.205 -7.027 32.672 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.901 -5.871 32.945 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.319 -7.998 32.346 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.645 -8.921 32.146 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.891 -7.689 32.192 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.193 -8.788 31.386 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.202 -10.016 32.122 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.685 -10.636 31.626 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.089 -7.384 33.451 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.881 -7.189 33.397 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.816 -7.341 34.584 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.804 -7.489 34.567 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.181 -6.896 35.822 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.834 -7.596 37.014 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.243 -7.339 37.036 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.599 -7.842 37.757 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.567 -9.102 36.979 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.175 -5.385 36.006 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.571 -4.857 36.932 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.868 -4.715 35.059 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.387 -5.203 34.359 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.815 -3.258 35.027 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.153 -2.641 35.433 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.614 -3.116 36.814 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.042 37.545 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.917 -1.129 36.906 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.464 -2.118 38.770 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.730 33.680 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.265 -3.461 32.702 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.109 -1.411 33.691 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.248 -0.868 34.519 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.588 -0.800 32.476 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.193 -0.240 32.757 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.332 0.000 31.516 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.930 0.474 31.909 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.980 0.660 30.724 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.720 29.837 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.827 1.832 29.035 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.542 2.615 30.362 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.422 1.457 29.484 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.525 0.249 31.917 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.949 1.177 32.596 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.836 0.028 30.629 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.437 -0.750 30.145 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.756 0.930 29.945 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.035 0.199 29.508 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.704 -0.519 30.658 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.370 -1.868 30.910 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.652 0.161 31.453 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.985 -2.547 31.979 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.270 -0.518 32.521 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.925 -1.863 32.776 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.084 1.495 28.714 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.412 0.776 27.984 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.301 2.817 28.488 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 7.952 3.772 29.380 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.860 3.424 27.225 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.355 4.866 27.356 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.497 5.126 28.854 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.450 2.718 26.015 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.520 2.126 26.087 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.696 2.793 24.902 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.823 3.281 24.907 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.211 2.152 23.690 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.104 2.037 22.638 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.450 0.952 21.634 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.350 -0.224 21.984 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.819 1.287 20.510 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.467 2.796 23.115 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.285 2.150 22.471 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.587 4.105 23.422 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.873 4.565 23.951 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.802 4.827 23.056 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 11.034 4.468 23.867 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.149 4.682 23.418 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.799 3.881 25.064 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.864 3.760 25.395 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.934 3.330 25.814 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.482 2.844 27.205 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.597 2.110 27.925 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.700 2.830 28.433 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.523 0.704 28.046 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.756 2.131 29.049 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.576 0.005 28.666 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.685 0.726 29.156 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.685 2.240 25.061 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.907 2.243 24.996 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.884 1.322 24.484 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.890 1.402 24.567 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.476 0.225 23.716 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.448 -0.888 23.504 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.909 -1.381 24.829 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.575 -2.192 25.822 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.639 -2.414 26.887 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.872 -2.745 25.899 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.622 -1.155 25.343 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.458 -1.762 26.549 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.637 -1.751 27.084 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.019 -3.186 28.007 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.238 -3.513 27.024 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.317 -3.734 28.072 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.101 0.618 22.384 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.875 -0.128 21.798 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.735 1.842 21.947 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.094 2.399 22.474 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.348 2.400 20.742 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.308 3.214 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.127 2.385 19.465 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 9.976 3.274 18.993 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.554 1.377 18.395 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.593 3.245 20.983 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.196 3.757 20.047 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.946 3.376 22.280 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.402 2.942 22.997 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.096 4.211 22.637 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.838 5.713 22.659 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.760 6.519 22.681 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.532 6.047 22.641 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.841 5.328 22.651 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.117 7.448 22.652 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.865 7.632 21.789 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.005 7.050 20.377 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.688 7.082 19.613 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.729 6.939 18.392 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.629 7.237 20.224 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.878 7.968 24.057 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.634 8.783 24.573 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.788 7.440 24.656 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.210 6.779 24.179 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.471 7.816 26.032 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.996 7.542 26.336 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 10.027 8.227 25.368 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.604 7.913 25.780 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.130 8.323 26.833 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.942 7.147 24.895 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.372 6.857 24.041 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 7.007 6.848 25.087 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.348 7.130 27.064 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.858 6.034 26.866 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.487 7.862 28.182 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.027 8.747 28.241 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.259 7.349 29.312 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.351 8.349 29.748 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.909 9.712 30.319 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.028 10.361 31.130 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.410 10.704 29.264 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.373 6.941 30.476 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.269 7.444 30.647 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.913 5.991 31.264 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.816 5.620 31.060 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.152 5.512 32.417 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.837 4.012 32.257 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.102 3.147 32.262 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.798 3.532 33.275 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.851 5.807 33.733 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.053 5.634 33.879 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.034 6.264 34.697 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.057 6.395 34.534 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.643 6.516 35.997 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.568 8.005 36.344 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.190 9.119 35.051 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.045 5.663 37.101 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 11.945 5.132 36.996 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.849 5.573 38.173 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.749 6.006 38.132 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.434 4.891 39.399 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 14.011 3.476 39.469 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.232 2.536 38.586 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.628 1.972 37.319 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.558 1.121 36.884 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.790 2.105 36.530 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.960 2.008 38.849 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.559 1.176 37.852 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.710 0.689 37.832 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.675 0.415 35.668 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.894 1.393 35.317 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.843 0.551 34.889 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.987 5.660 40.567 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 15.014 6.306 40.430 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.305 5.540 41.729 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.461 5.005 41.754 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.848 6.139 42.958 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 13.007 5.681 44.153 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.392 6.277 45.515 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.707 5.545 46.662 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.289 5.347 47.721 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.437 5.160 46.419 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 10.988 5.293 45.536 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 10.906 4.720 47.143 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.302 5.752 43.164 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.648 4.597 42.979 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.136 6.756 43.508 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.795 7.696 43.533 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.566 6.467 43.671 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.316 7.700 44.176 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.901 5.290 44.578 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.724 5.322 45.790 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.390 4.240 43.890 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.437 4.299 42.894 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.755 3.004 44.581 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.737 1.874 44.496 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.871 0.858 45.167 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.706 2.098 43.653 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.695 2.910 43.074 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.619 1.120 43.571 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.269 1.710 44.007 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.805 2.669 43.050 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.979 3.007 43.368 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.314 2.304 45.416 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.448 0.464 42.216 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.448 -0.201 41.974 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.464 0.672 41.346 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.227 1.273 41.584 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.443 0.007 40.041 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.684 0.392 39.224 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.878 1.807 39.255 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.677 1.975 38.774 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.602 -0.095 37.773 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.340 -1.506 40.172 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.163 -2.143 40.817 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.252 -2.045 39.561 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.213 -1.316 38.838 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.987 -3.484 39.636 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.478 -3.519 39.367 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.233 -2.383 38.374 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.807 -4.275 38.628 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.291 -4.815 37.659 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.125 -4.326 38.918 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.464 -3.832 39.716 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.069 -5.040 38.053 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.483 -4.994 38.640 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 20.028 -3.585 38.713 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.343 -2.685 37.627 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.885 -1.489 38.209 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.218 -2.789 36.224 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.387 -2.890 39.879 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.891 -1.660 39.589 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.210 -1.005 40.245 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.293 -0.424 37.376 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.628 -1.717 35.404 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.163 -0.542 35.975 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.709 -6.487 37.760 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.904 -6.981 36.657 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.147 -7.122 38.812 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.045 -6.624 39.674 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.711 -8.520 38.748 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.200 -8.977 40.129 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.867 -8.342 40.508 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.814 -8.960 40.414 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.967 -7.074 40.945 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.856 -6.621 41.006 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.148 -6.565 41.211 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.733 -8.897 37.640 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.736 -10.020 37.153 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.899 -7.899 37.270 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 15.003 -6.989 37.669 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.896 -8.158 36.232 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.680 -7.220 36.373 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.139 -7.239 37.806 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.960 -5.798 35.880 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.718 -4.915 35.792 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.422 -8.152 34.800 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.760 -8.600 33.873 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.654 -7.620 34.673 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.157 -7.307 35.478 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.287 -7.569 33.360 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.940 -6.211 33.127 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.933 -5.098 33.016 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.253 -4.901 31.795 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.710 -4.260 34.129 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.342 -3.835 31.679 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.798 -3.194 34.015 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.129 -2.990 32.789 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.334 -8.650 33.202 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.213 -8.817 34.035 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.192 -9.394 32.080 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.176 31.028 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.031 -10.574 31.841 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.323 -11.221 30.650 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.667 -10.071 29.895 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.500 -10.296 31.562 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.931 -9.180 31.300 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.243 -11.417 31.602 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 19.843 -12.271 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.588 -11.391 31.032 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.552 -12.228 31.886 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.585 -11.688 33.315 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.238 -13.729 31.856 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.600 -11.838 29.577 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.756 -12.608 29.138 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.594 -11.303 28.842 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.220 -10.641 29.249 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.726 -11.691 27.437 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.471 -10.493 26.503 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.581 -10.893 25.024 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.127 -9.822 26.804 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.906 -8.548 25.987 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 24.077 -12.315 27.138 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.116 -11.671 27.188 1.00 0.00 A4 O -ATOM 2630 N SER A 284 24.006 -13.611 26.794 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.126 -14.081 26.777 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.235 -14.284 26.389 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.268 -15.702 26.953 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.180 -15.646 28.378 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.213 -16.541 28.688 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.470 -14.294 24.892 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.665 -14.772 24.105 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.646 -13.744 24.545 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.227 -13.329 25.241 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.100 -13.821 23.160 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.557 -12.456 22.647 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.526 -11.332 22.760 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.155 -9.981 22.418 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.269 -11.600 21.931 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.250 -14.791 23.022 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.318 -14.615 23.590 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 27.977 -15.827 22.220 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.111 -15.855 21.728 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.035 -16.796 21.963 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.475 -18.215 21.802 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.852 -18.784 23.063 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.674 -18.215 23.596 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.075 -18.804 24.721 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.459 -19.911 23.654 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.859 -20.503 24.778 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.670 -19.947 25.291 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.067 -20.533 26.385 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.630 -21.200 26.753 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.801 -16.403 20.720 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.225 -16.063 19.698 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.133 -16.451 20.867 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.535 -16.673 21.750 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.006 -16.138 19.743 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.946 -14.998 20.128 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.229 -13.706 20.518 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.165 -12.730 21.227 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.536 -13.059 19.320 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.825 -17.343 19.349 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.186 -18.158 20.186 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.128 -17.394 18.035 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.766 -16.690 17.427 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 34.026 -18.427 17.511 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.196 -18.216 15.999 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.114 -19.230 15.306 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.468 -18.834 13.586 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.922 -19.404 12.872 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.371 -18.423 18.226 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.942 -17.381 18.503 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.829 -19.642 18.542 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.322 -20.450 18.246 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.099 -19.736 19.258 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.273 -20.034 18.350 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.218 -19.859 17.139 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.351 -20.489 19.014 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.300 -20.674 19.996 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.587 -20.718 18.270 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.798 -20.315 19.102 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.766 -18.847 19.516 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.076 -18.507 20.190 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.185 -18.700 21.400 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 43.981 -18.049 19.497 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.801 -22.115 17.722 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.558 -22.308 16.778 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.110 -23.084 18.353 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.488 -22.871 19.105 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.249 -24.446 17.841 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.841 -25.403 18.902 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.144 -24.843 19.478 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.865 -25.779 20.017 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.951 -24.969 17.247 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.903 -24.346 17.372 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.081 -26.143 16.587 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.982 -26.571 16.528 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.928 -26.771 15.930 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.367 -28.068 15.232 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.483 -27.812 14.376 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.712 -28.642 13.979 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.244 -28.740 14.432 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.765 -27.042 16.872 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.934 -27.584 17.958 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.580 -26.601 16.390 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.557 -26.194 15.476 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.322 -26.749 17.134 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.808 -28.195 17.108 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.523 -28.653 15.691 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.187 -27.883 14.800 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.676 -29.980 15.540 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.954 -30.545 16.317 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.509 -30.418 14.658 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.326 -26.220 18.558 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.693 -26.768 19.451 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.086 -25.124 18.725 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.618 -24.747 17.967 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.131 -24.513 20.047 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.501 -24.771 20.686 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.848 -24.032 21.988 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.540 -22.717 21.676 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.432 -22.646 20.842 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.092 -21.674 22.395 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.362 -21.786 23.068 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.490 -20.766 22.260 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.772 -23.052 19.990 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.192 -22.321 19.105 1.00 0.00 A4 O -ATOM 2734 N SER A 295 33.969 -22.682 20.999 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.639 -23.376 21.635 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.585 -21.291 21.187 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.146 -21.093 20.700 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.239 -21.846 21.508 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.371 -21.681 21.163 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.759 -20.877 22.639 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.221 -21.644 23.473 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.341 -19.628 22.901 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 33.071 -19.024 22.153 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.260 -19.161 24.284 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.617 -18.617 24.773 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.034 -17.357 24.044 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.694 -16.102 24.595 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.761 -17.453 22.837 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.092 -14.923 23.936 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.157 -16.275 22.176 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.023 22.734 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.158 -18.131 24.401 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.675 -17.635 23.398 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.778 -17.812 25.647 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.156 -18.260 26.452 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.773 -16.763 25.754 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.439 -17.330 26.250 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.460 -17.831 27.695 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.096 -18.341 28.151 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.115 -18.640 29.579 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.708 -18.111 30.186 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.288 -19.558 30.121 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.477 -20.305 29.373 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.877 -20.971 29.816 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.461 -20.209 28.378 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.283 -19.722 31.440 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.680 -20.399 31.860 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 27.886 -19.166 32.013 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.205 -15.577 26.585 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 32.055 -15.661 27.461 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.534 -14.459 26.266 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.938 -14.453 25.466 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.575 -13.318 27.168 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.235 -12.092 26.512 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.699 -12.389 26.179 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.478 -11.573 25.285 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 31.035 -10.239 24.791 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.181 -13.004 27.675 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.205 -13.021 26.938 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.125 -12.741 28.987 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.946 -12.727 29.554 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.814 -12.448 29.547 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.506 -13.410 30.701 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.537 -14.755 30.210 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.272 -15.316 30.927 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.157 -13.139 31.373 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.676 -10.991 29.933 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.498 -10.403 30.625 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.576 -10.444 29.389 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.943 -11.041 28.901 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.273 -9.027 29.538 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.839 -8.449 28.176 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.590 -6.940 28.239 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.815 -8.821 27.050 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.217 -8.232 27.213 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.189 -8.830 30.582 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.120 -9.419 30.522 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.523 -7.964 31.550 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.414 -7.516 31.526 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.541 -7.591 32.565 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.300 -7.170 33.830 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 26.029 -8.315 34.538 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.855 -7.796 35.714 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.079 -9.427 34.980 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.477 32.064 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 23.981 -5.752 31.142 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.434 -6.348 32.705 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.830 -7.256 33.679 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.578 -5.184 32.428 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.324 -5.477 33.242 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.771 -6.405 34.363 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.177 -3.831 32.767 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.776 -2.819 32.215 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.855 33.682 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.450 -4.725 34.083 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.891 -2.625 34.001 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.727 -2.789 35.271 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.015 -2.978 36.616 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.587 -4.409 36.888 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.702 -5.322 36.080 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.061 -4.547 38.114 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.050 -3.785 38.761 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.656 -5.413 38.402 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.782 -2.097 32.882 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.210 -0.949 32.899 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 25.022 -2.990 31.898 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.647 -3.914 31.958 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.689 -2.573 30.668 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.486 -3.744 30.087 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.751 -4.064 30.889 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.327 -5.404 30.470 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 28.044 -6.432 31.069 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.169 -5.353 29.423 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.404 -4.493 28.970 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.586 -6.198 29.087 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.720 -2.017 29.640 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.934 -0.945 29.086 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.635 -2.790 29.415 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.473 -3.627 29.940 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.694 -2.338 28.391 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.188 -3.523 27.548 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.232 -4.446 28.278 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.906 -4.023 28.507 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.006 -4.889 29.143 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.681 -5.721 28.679 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.777 -6.597 29.305 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.452 -6.167 29.526 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.552 -7.015 30.136 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 18.916 -7.887 30.184 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.575 -1.400 28.833 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.695 -1.054 28.056 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.664 -0.986 30.112 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.355 -1.373 30.721 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.832 0.126 30.567 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.260 31.724 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.884 -1.365 31.434 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.085 -1.703 32.692 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.962 -1.034 30.257 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.721 1.271 30.992 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.171 1.365 32.128 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.969 2.123 29.983 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.502 1.980 29.111 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.932 3.211 30.129 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.318 3.695 28.730 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.474 4.691 28.739 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.887 5.163 27.345 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.801 5.837 26.630 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.221 5.327 25.996 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.564 7.157 26.798 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.264 7.889 27.665 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 24.065 8.864 27.765 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.986 7.473 28.218 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.611 7.743 26.078 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.429 8.719 26.198 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.078 7.215 25.417 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.448 4.367 30.992 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.452 5.007 30.691 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.205 4.636 32.088 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.414 3.947 32.531 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.817 5.736 32.976 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.742 5.533 34.180 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.989 4.858 33.609 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.949 7.101 32.325 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.954 7.452 31.716 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.843 7.845 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 21.060 7.481 32.982 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.807 9.199 31.942 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.797 9.298 30.785 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.263 8.488 29.575 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.387 8.881 31.205 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.506 10.210 33.029 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.788 9.939 33.986 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.105 11.401 32.826 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.697 11.528 32.031 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.864 12.499 33.762 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.787 13.684 33.448 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.294 13.385 33.513 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.835 13.415 34.935 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.305 12.721 35.803 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.807 14.133 35.167 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.420 12.955 33.758 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.830 13.216 32.716 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.888 13.024 34.995 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.447 12.770 35.783 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.511 13.475 35.187 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.127 13.276 36.661 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.624 13.282 36.897 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.953 14.227 36.488 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.132 12.343 37.520 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.318 14.914 34.737 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.772 15.857 35.373 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.616 15.011 33.587 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.295 14.165 33.162 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.362 16.307 32.943 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.593 16.097 31.621 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.423 17.399 30.829 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.251 15.021 30.750 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.655 17.319 33.844 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.883 18.521 33.775 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.808 16.749 34.724 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.690 15.756 34.731 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.154 17.573 35.736 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.676 17.172 35.825 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.886 17.528 37.081 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.034 17.947 37.163 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.198 17.014 38.129 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.284 16.621 38.046 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.851 16.924 39.435 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.807 17.138 40.545 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.183 18.416 40.392 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.543 18.490 41.088 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.379 16.999 41.961 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.548 15.588 39.611 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.918 14.541 39.532 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.691 39.869 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.296 16.596 39.857 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.688 14.510 40.172 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.177 14.853 40.093 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.486 15.391 38.806 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.401 15.638 38.832 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.375 13.851 41.506 1.00 0.00 A4 C -ATOM 2942 O SER A 315 19.041 14.044 42.516 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.302 13.050 41.428 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.846 12.949 40.545 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.756 12.351 42.588 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.449 13.030 43.002 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.870 12.559 44.343 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.469 13.094 44.628 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.873 12.736 45.636 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.947 13.949 43.722 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.402 14.267 42.891 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.027 14.303 43.884 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.511 10.884 42.274 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.382 10.040 43.152 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.444 10.634 40.952 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.561 11.362 40.278 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.125 9.296 40.479 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.734 9.311 39.830 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.652 9.703 40.825 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.630 9.164 41.930 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.831 10.553 40.486 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.167 8.811 39.493 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.688 9.578 38.692 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.493 39.581 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.006 6.928 40.283 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.319 6.891 38.578 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.910 5.567 39.067 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.775 5.731 40.303 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.531 6.700 40.388 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.697 4.869 41.174 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.620 6.652 37.256 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.670 5.886 37.152 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.156 7.361 36.249 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.959 7.934 36.411 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.558 7.249 34.924 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.189 8.638 34.408 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.124 9.593 35.525 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.462 6.513 33.954 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.678 6.515 34.093 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.799 5.852 32.982 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.803 5.908 32.945 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.519 4.988 32.044 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.541 3.517 32.501 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.030 3.338 33.922 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.083 3.337 34.966 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.522 3.168 36.287 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.408 3.170 34.169 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.848 2.995 35.492 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.898 2.994 36.534 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.320 2.814 37.836 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.241 2.596 37.856 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.895 5.019 30.661 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.696 5.204 30.504 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.765 4.788 29.663 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.738 4.686 29.850 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.253 4.517 28.324 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.841 5.471 27.281 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.234 6.875 27.259 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.682 7.628 26.002 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.037 9.004 25.815 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.558 9.962 26.801 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.083 10.878 26.666 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.378 9.615 27.764 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.581 10.083 26.658 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.563 3.096 27.909 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.556 2.505 28.312 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.655 2.589 27.055 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.857 3.137 26.806 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.884 1.281 26.445 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.552 0.758 25.899 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.576 -0.706 25.520 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.923 -1.689 26.474 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.206 -1.064 24.206 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.872 -3.050 26.114 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.152 -2.423 23.845 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.473 -3.404 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 18.962 1.339 25.379 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.793 1.895 24.300 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.100 0.739 25.773 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.115 0.250 26.642 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.286 0.780 24.925 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.541 0.954 25.786 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.442 -0.430 24.020 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.537 -0.915 23.767 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.268 -0.877 23.528 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.412 -0.506 23.885 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.228 -1.833 22.424 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.747 -3.218 22.894 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.696 -4.228 21.741 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.590 -3.747 24.055 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.032 -5.041 24.647 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.307 -1.296 21.343 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.150 -0.977 21.592 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.882 -1.208 20.130 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.452 20.006 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.088 -0.688 19.020 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.422 0.787 18.784 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.829 0.940 18.579 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.997 1.873 18.564 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.225 -1.505 17.750 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.123 -2.321 17.606 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.268 -1.240 16.837 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.569 -0.556 17.044 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.261 -1.937 15.551 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.867 -1.830 14.922 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.579 -2.844 13.806 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.205 -2.620 13.200 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 15.041 -2.577 11.986 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.215 -2.499 14.104 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.400 -2.509 15.086 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.267 -2.393 13.803 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.329 -1.444 14.588 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.688 -0.273 14.554 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.811 -2.425 13.807 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.455 -3.351 13.919 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.806 -2.152 12.780 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.159 -2.724 13.206 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.171 -2.351 12.266 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.941 -2.860 12.476 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.382 -2.734 11.448 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.712 -3.758 11.367 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.832 -2.019 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.339 -1.172 10.562 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.659 -2.539 9.050 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.845 -1.545 8.216 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.511 -0.278 8.173 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.953 0.308 7.679 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.973 -2.900 8.367 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.022 -3.154 7.169 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.041 -2.890 9.197 1.00 0.00 A4 N -ATOM 3071 H THR A 329 22.920 -2.699 10.169 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.396 -3.137 8.702 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.174 -1.817 8.572 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.235 -1.153 9.838 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.737 -0.360 9.706 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.598 -0.881 7.505 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.178 -4.115 9.572 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.397 -4.049 9.669 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.412 -5.026 10.208 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.417 -5.007 10.109 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.063 -6.033 11.044 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.124 -5.713 12.526 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.794 -4.623 12.971 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.592 -6.734 13.274 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.826 -7.604 12.839 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.830 -6.532 14.704 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 26.003 -7.886 15.415 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.857 -8.702 15.178 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 25.009 -9.523 15.628 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.246 -7.778 16.925 1.00 0.00 A4 C -ATOM 3091 C THR A 331 27.009 -5.617 14.981 1.00 0.00 A4 C -ATOM 3092 O THR A 331 28.048 -5.680 14.338 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.769 -4.750 15.982 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.865 -4.727 16.401 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.825 -3.891 16.499 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.584 -2.427 16.104 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.748 -1.551 16.561 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.323 -2.251 14.605 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.932 -4.028 18.009 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.086 -3.579 18.770 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.048 -4.663 18.398 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.663 -5.014 17.697 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.405 -4.743 19.813 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.295 -5.964 20.047 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.579 -7.270 19.695 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.685 -8.689 19.620 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.252 -8.684 21.326 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.077 -3.473 20.294 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.295 -3.334 20.296 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.190 -2.539 20.689 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.214 -2.758 20.706 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.661 -1.213 21.069 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.290 -1.135 22.442 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.598 -2.135 23.076 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.453 0.134 22.856 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.204 0.863 22.229 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.055 0.495 24.135 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.080 2.016 24.298 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.402 -0.111 25.358 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.096 -0.522 26.274 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.051 -0.175 25.330 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.545 0.165 24.538 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.360 -0.804 26.461 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.847 -0.517 26.447 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.586 0.986 26.558 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.115 -1.157 25.261 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.626 -2.293 26.638 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.554 -2.827 27.737 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 28.974 -2.925 25.499 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.008 -2.415 24.639 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.395 -4.324 25.530 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.188 -4.948 24.139 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.670 -6.399 24.049 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.723 -4.820 23.713 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.766 -5.610 24.609 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.828 -4.490 26.014 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.134 -5.372 26.804 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.684 -3.575 25.511 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.340 -2.863 24.899 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.104 -3.598 25.870 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.902 -2.723 24.905 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.788 -3.149 23.440 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.653 -2.034 22.322 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.327 -2.318 22.917 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.430 -3.210 27.305 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.459 -3.600 27.843 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.491 -2.439 27.900 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.694 -2.151 27.373 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.598 -2.058 29.311 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.481 -1.091 29.696 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.671 0.338 29.181 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.416 1.181 29.378 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.318 2.230 28.743 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.537 0.794 30.150 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.547 -3.242 30.249 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.691 -4.111 30.144 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.528 -3.237 31.169 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.227 -2.522 31.162 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.613 -4.385 32.069 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.357 -5.587 31.507 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.505 -6.605 32.172 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.839 -5.408 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.587 -4.598 29.729 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.775 -6.372 29.687 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.186 -7.114 28.480 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.928 -7.874 28.831 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.697 -7.413 28.320 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.995 -9.030 29.640 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.516 -8.123 28.608 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.813 -9.741 29.930 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.586 -9.284 29.405 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.069 -5.712 29.254 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.123 -4.542 28.894 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.110 -6.560 29.293 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 37.971 -7.476 29.660 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.403 -6.206 28.721 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.491 -6.647 29.702 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.865 -6.153 29.312 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.123 -4.767 29.271 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.426 -4.328 28.985 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.861 -7.108 29.032 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.163 -6.670 28.751 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.430 -5.287 28.748 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.715 -4.857 28.504 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.281 -5.599 28.340 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.559 -6.849 27.355 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.498 -8.062 27.197 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.714 -5.951 26.365 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.856 -4.989 26.589 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.602 -6.402 24.980 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.418 -5.721 24.272 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.162 -6.352 22.903 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.142 -5.742 25.116 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.878 -6.209 24.186 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.274 -5.102 23.853 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.499 -7.361 23.884 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.088 -8.238 24.126 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.748 -7.292 23.134 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.721 -8.376 23.618 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.085 -8.256 22.932 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.853 -8.349 25.144 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.544 -7.364 21.633 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 42.039 -8.324 21.077 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 42.991 -6.282 20.993 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.338 -5.527 21.542 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 43.026 -6.267 19.534 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.659 -4.882 19.000 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.257 -4.492 19.412 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.202 -4.663 18.490 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 41.022 -3.958 20.699 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.894 -4.293 18.857 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.715 -3.591 21.069 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.665 -3.760 20.143 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.378 -6.705 19.012 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.236 -5.904 18.663 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.509 -8.046 18.996 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.721 -8.607 19.246 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.753 -8.673 18.556 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.922 -10.025 19.271 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.338 -10.589 19.202 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.151 -10.117 18.407 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.624 -11.511 19.962 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.836 -8.806 17.046 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.572 -9.848 16.461 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.246 -7.667 16.457 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.434 -6.877 17.040 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.418 -7.550 15.008 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.098 14.677 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.615 -5.136 15.023 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.081 -3.684 15.136 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.822 -3.242 13.954 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.779 -3.501 13.831 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.252 -2.460 13.015 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 44.970 -2.105 13.088 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.573 -1.526 12.376 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.400 -2.415 13.850 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 46.994 -2.031 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.585 -1.453 11.292 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.961 -2.280 11.940 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.464 -8.481 14.417 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.304 -9.012 13.324 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.534 -8.665 15.220 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.582 -8.177 16.091 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.628 -9.559 14.839 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.741 -9.496 15.888 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.230 -11.013 14.639 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.764 -11.708 13.784 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.253 -11.431 15.469 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.852 -10.812 16.144 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.790 -12.812 15.355 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.942 -13.531 16.692 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.388 -13.633 17.175 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.500 -14.493 18.432 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 48.985 -15.839 18.180 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.506 -16.056 17.330 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.818 19.097 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.738 -16.610 20.257 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.821 -17.358 20.914 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.123 -15.713 20.478 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.610 -18.018 18.828 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.698 -18.758 19.494 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.141 -18.180 17.960 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.374 -12.994 14.835 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.807 -14.076 14.940 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.825 -11.886 14.281 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.370 -11.050 14.214 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.459 -11.879 13.741 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.398 -12.536 12.355 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.390 -11.943 11.353 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.299 -12.612 9.981 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.350 -12.080 9.005 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.159 -12.703 7.687 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.849 -12.307 7.017 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.298 -13.731 7.761 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.196 -12.507 7.348 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.392 -12.450 14.664 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.663 -13.372 14.317 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.362 -11.846 15.870 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 44.034 -11.134 16.067 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.408 -12.265 16.897 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.920 -13.526 17.611 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.266 -13.320 18.308 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.576 18.977 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.921 -14.199 19.869 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.284 -13.269 19.842 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.458 -15.061 20.756 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.321 20.855 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.468 -16.933 21.520 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.301 -16.661 20.273 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.433 -14.638 21.554 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.843 -15.268 22.213 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.757 -13.694 21.496 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.071 -11.147 17.878 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.785 -10.161 17.999 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.356 18.564 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.396 -12.171 18.358 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.444 -10.433 19.592 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.206 -9.653 19.103 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.660 -8.708 20.176 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.486 -8.877 17.816 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.233 -8.211 17.250 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.122 -11.174 20.884 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.306 -12.085 20.912 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.803 -10.733 21.959 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.427 -9.961 21.879 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.595 -11.374 23.253 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.623 -10.659 24.162 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.444 -9.450 24.117 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 38.996 -11.499 25.000 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 39.166 -12.481 24.933 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.064 -10.975 25.992 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.605 -11.281 25.628 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.152 -10.601 24.355 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.481 -11.168 23.103 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.381 -9.420 24.440 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.026 -10.553 21.922 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.921 -8.806 23.258 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.244 -9.382 22.012 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.346 -11.590 27.343 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.498 -12.796 27.480 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.382 -10.696 28.341 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.331 -9.716 28.150 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.464 -11.197 29.709 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 39.912 -11.256 30.197 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.671 -10.308 30.630 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.284 -9.207 30.267 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.450 -10.825 31.850 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.748 -11.753 32.073 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.815 -9.955 32.839 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.320 -10.787 34.031 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.631 -9.932 35.099 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.401 -11.913 33.553 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.758 -8.850 33.284 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.865 -9.102 33.729 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.269 -7.609 33.119 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.334 -7.488 32.787 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.088 -6.457 33.496 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.485 -5.203 32.858 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 38.217 -4.024 33.190 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.638 -3.297 33.002 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.213 -6.301 35.001 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.397 -6.792 35.771 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.278 -5.563 35.372 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 39.901 -5.211 34.675 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.438 -5.157 36.767 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.811 -4.514 36.970 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.362 -4.187 37.232 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 37.980 -4.156 38.396 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.871 -3.423 36.234 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.259 -3.493 35.316 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.716 -2.561 36.462 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 36.977 -1.187 35.842 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 37.012 -1.220 34.030 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.411 -3.151 35.946 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.625 -2.486 35.281 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.216 -4.442 36.288 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.906 -4.937 36.817 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 33.979 -5.104 35.870 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.057 -6.620 36.085 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.133 -6.957 37.558 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.227 -6.756 38.313 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 36.080 -6.378 38.012 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.124 -7.502 38.359 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.628 -7.626 39.611 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.921 -7.167 39.583 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.721 -4.546 36.505 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.742 -3.881 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.616 -4.865 35.813 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.685 -5.431 34.992 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.326 -4.383 36.291 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.358 -4.277 35.108 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.077 -3.565 35.520 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 30.004 -3.570 33.913 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.760 -5.242 37.413 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.728 -6.465 37.339 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.332 -4.522 38.469 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.361 -3.523 38.435 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.779 -5.223 39.627 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.138 -4.494 40.925 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.626 -4.539 41.192 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.294 -5.661 41.518 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.918 -6.562 41.601 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.524 -3.468 41.179 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.745 -3.958 41.505 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.604 -5.305 41.715 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.277 -5.451 39.568 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.518 -4.715 38.949 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.914 -6.531 40.286 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.648 -7.075 40.693 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.524 -6.942 40.501 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.001 -7.683 39.252 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.528 -8.064 39.329 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.180 -8.972 40.077 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.731 -7.476 38.605 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.504 -7.818 41.744 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.465 -8.524 42.028 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.375 -7.730 42.481 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.624 -7.149 42.171 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.273 -8.483 43.736 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.980 -8.138 44.480 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.874 -6.664 44.877 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.679 -6.466 45.790 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.741 -6.900 46.940 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.695 -5.872 45.353 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.400 -9.994 43.613 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.166 -10.633 44.324 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.605 -10.526 42.668 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 23.035 -9.934 42.100 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.564 -11.978 42.508 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.144 -12.502 42.800 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.110 -12.056 41.782 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.543 -13.023 40.923 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.708 -10.702 41.713 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.565 -12.635 39.986 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.736 -10.310 40.774 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.173 -11.281 39.920 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.118 -12.522 41.198 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.090 -13.722 40.949 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.618 -11.581 40.370 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.620 -10.618 40.637 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.131 -11.961 39.054 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.123 -11.623 37.956 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.806 -12.390 38.045 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.758 -11.831 37.091 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.481 -10.428 37.390 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 22.024 -9.919 38.058 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.510 -9.779 36.722 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.723 -10.413 35.854 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.016 -9.901 35.370 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.828 -11.392 35.682 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.339 -8.480 36.933 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.632 -7.985 36.428 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 20.915 -7.991 37.588 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.439 -11.268 38.743 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.820 -10.287 39.370 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.104 -11.835 37.721 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.763 -12.677 37.304 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.362 -11.239 37.282 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.537 -11.792 38.113 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.776 -11.218 37.684 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.459 -11.629 38.197 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.617 -13.322 38.102 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.590 -11.426 35.794 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.243 -12.444 35.206 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.221 -10.380 35.221 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.405 -9.554 35.754 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.713 -10.506 33.851 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.146 -9.141 33.311 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.885 -11.463 33.773 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.697 -11.558 34.688 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.906 -12.199 32.647 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.214 -12.064 31.936 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.873 -13.290 32.589 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.279 -14.564 33.198 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.357 -13.610 31.194 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.716 -13.316 30.195 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.537 -14.255 31.185 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.036 -14.381 32.042 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 34.026 -14.824 29.931 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.228 -14.050 29.369 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.539 -14.520 27.948 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.018 -12.536 29.387 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.385 -16.282 30.141 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.367 -16.613 30.795 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.508 -17.140 29.587 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.753 -16.809 29.023 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.621 -18.553 29.937 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.406 -18.984 30.758 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.267 -18.196 32.066 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.934 -18.475 32.731 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.896 -18.554 33.957 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.934 -18.595 32.028 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.474 28.751 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.211 -19.279 27.691 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.586 -20.516 29.007 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.065 -20.566 29.882 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.737 -21.566 28.005 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.530 -22.732 28.566 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.912 -22.731 29.730 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.797 -23.736 27.692 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.664 -24.868 28.012 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.311 -23.769 26.307 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.380 -24.643 25.649 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.743 -25.673 26.719 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 33.912 -24.357 26.168 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.404 -25.074 27.021 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.330 -24.009 25.009 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.801 -23.387 24.387 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.067 -24.626 24.618 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.970 -23.569 24.439 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.507 -23.014 25.768 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.203 -21.940 26.366 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.369 -23.579 26.386 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.755 -21.425 27.598 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.918 -23.062 27.615 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.616 -21.989 28.209 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.249 -25.392 23.328 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.097 -25.070 22.507 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.400 -26.422 23.177 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.763 -26.679 23.902 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.375 -27.050 21.861 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.292 -28.584 21.989 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.045 -29.047 22.749 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.461 -29.282 20.634 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.289 -26.462 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.143 -26.285 21.370 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.737 -26.144 19.746 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.694 -26.300 19.507 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.810 -25.601 18.762 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.754 -24.069 18.818 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.599 -23.624 20.168 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.661 -22.678 20.150 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.614 -23.514 17.958 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.184 -26.073 17.377 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.226 -25.733 16.830 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.267 -26.897 16.844 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.412 -27.082 17.327 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.518 -27.448 15.517 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.728 -28.745 15.318 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.813 -29.748 16.476 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.864 -30.925 16.251 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.240 -30.218 16.767 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.158 -26.454 14.434 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.317 -25.584 14.630 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.843 -26.634 13.285 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.533 -27.356 13.246 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.515 -25.870 12.074 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.163 -26.320 11.493 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.145 -27.804 11.170 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.204 -28.477 11.586 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.061 -28.280 10.499 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.553 -24.351 12.201 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.698 -23.645 11.679 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.589 -23.884 12.932 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.245 -24.524 13.332 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.729 -22.443 13.166 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.802 -22.162 14.214 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.479 -22.714 15.598 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.714 -22.251 16.821 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.140 -22.994 16.013 1.00 0.00 A4 C -ATOM 3541 C MET A 379 31.003 -21.582 11.944 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.701 -20.395 11.930 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.574 -22.243 10.914 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.822 -23.206 11.015 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.790 -21.559 9.636 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.660 -22.406 8.707 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.119 -22.533 9.162 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.803 -21.173 9.218 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.585 -20.350 8.327 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.560 -20.945 10.159 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.532 -21.139 8.902 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.516 -20.150 8.178 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.468 -21.929 9.152 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.561 -22.736 9.736 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.164 -21.582 8.588 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.200 -22.772 8.651 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.771 -23.992 7.949 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.232 -23.869 6.815 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.745 -25.067 8.541 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.492 -20.363 9.197 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.496 -19.882 8.681 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.072 -19.874 10.311 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.895 -20.290 10.696 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.500 -18.669 10.908 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.829 -18.617 12.399 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.285 -20.102 13.275 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.862 -17.363 10.218 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.155 -16.370 10.334 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.415 9.471 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.509 -18.264 9.397 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.376 -16.228 8.711 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.544 -16.004 7.461 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.186 -16.931 6.743 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.250 -14.706 7.251 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.608 -14.009 7.872 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.484 -14.326 6.066 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.614 -13.104 6.406 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.819 -12.596 5.221 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.720 -13.340 4.742 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 23.990 -12.847 3.647 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.207 -11.378 4.629 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.476 -10.884 3.537 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.375 -11.624 3.061 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.651 -11.137 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.004 -10.300 1.718 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.378 -14.079 4.864 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.437 -13.470 4.957 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.885 -14.594 3.723 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.010 -15.077 3.722 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.649 -14.407 2.491 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.047 -15.754 1.880 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.912 -16.544 2.842 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.991 -16.126 3.245 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.371 -17.725 3.185 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.482 -17.996 2.815 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.846 -18.346 3.808 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.912 -13.572 1.464 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.706 -13.366 1.523 1.00 0.00 A4 O diff --git a/examples/example1/output_example/rec2-lig2-density.json b/examples/example1/output_example/rec2-lig2-density.json deleted file mode 100644 index fdb51c7..0000000 --- a/examples/example1/output_example/rec2-lig2-density.json +++ /dev/null @@ -1,46 +0,0 @@ -[ - { - "START": { - "VDW": 57939942.231397994, - "VDW03": 9.5167565729105004, - "Bonds": 1.3834783740929759, - "Angles": 8.4156106963602735, - "Torsions": 17.92733816046902, - "Impropers": 0.050483722036477531, - "Density": -277.06657653400663, - "Total": 57939702.458488978 - }, - "FINAL": { - "VDW": 670.79980455735983, - "VDW03": 9.6689088852926144, - "Bonds": 159.44404269773869, - "Angles": 86.441267618100554, - "Torsions": 33.079365411975758, - "Impropers": 0.34131937787119582, - "Density": -321.84751779976057, - "Total": 637.92719074857814 - } - }, - { - "START": { - "VDW": 57939942.231397994, - "VDW03": 9.5167565729105004, - "Bonds": 1.3834783740929759, - "Angles": 8.4156106963602735, - "Torsions": 17.92733816046902, - "Impropers": 0.050483722036477531, - "Density": -277.06657653400663, - "Total": 57939702.458488978 - }, - "FINAL": { - "VDW": 670.79980455735983, - "VDW03": 9.6689088852926144, - "Bonds": 159.44404269773869, - "Angles": 86.441267618100554, - "Torsions": 33.079365411975758, - "Impropers": 0.34131937787119582, - "Density": -321.84751779976057, - "Total": 637.92719074857814 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec2-lig2-density.pdb b/examples/example1/output_example/rec2-lig2-density.pdb deleted file mode 100644 index 4402ebb..0000000 --- a/examples/example1/output_example/rec2-lig2-density.pdb +++ /dev/null @@ -1,7318 +0,0 @@ -MODEL 1 -REMARK START VDW: 57939942.231 -REMARK START VDW03: 9.517 -REMARK START Bonds 1.383 -REMARK START Angles: 8.416 -REMARK START Torsions: 17.927 -REMARK START Impropers: 0.050 -REMARK START Density: -277.0666 -REMARK START Total: 57939702.458 -REMARK -REMARK FINAL VDW: 670.800 -REMARK FINAL VDW03: 9.669 -REMARK FINAL Bonds 159.444 -REMARK FINAL Angles: 86.441 -REMARK FINAL Torsions: 33.079 -REMARK FINAL Impropers: 0.341 -REMARK FINAL Density: -321.8475 -REMARK FINAL Total: 637.927 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.472 2.480 26.794 0.00 0.00 C -ATOM 3600 C2 X 1 25.038 3.023 25.771 0.00 0.00 C -ATOM 3601 C3 X 1 26.894 3.645 26.452 0.00 0.00 C -ATOM 3602 C4 X 1 28.410 3.662 25.818 0.00 0.00 C -ATOM 3603 C5 X 1 29.061 5.028 25.267 0.00 0.00 C -ATOM 3604 C6 X 1 29.842 5.040 23.870 0.00 0.00 C -ATOM 3605 C7 X 1 29.849 6.340 22.955 0.00 0.00 C -ATOM 3606 C8 X 1 29.930 6.276 21.370 0.00 0.00 C -ATOM 3607 O1 X 1 28.915 7.108 20.677 0.00 0.00 O -ATOM 3608 C9 X 1 28.162 6.431 19.617 0.00 0.00 C -ATOM 3609 C10 X 1 26.897 7.138 19.185 0.00 0.00 C -ATOM 3610 O2 X 1 27.000 7.890 18.242 0.00 0.00 O -ATOM 3611 N1 X 1 25.667 6.967 19.800 0.00 0.00 N -ATOM 3612 C11 X 1 25.023 5.683 20.266 0.00 0.00 C -ATOM 3613 C12 X 1 23.848 5.401 21.325 0.00 0.00 C -ATOM 3614 O3 X 1 22.812 4.960 20.877 0.00 0.00 O -ATOM 3615 N2 X 1 23.927 5.617 22.708 0.00 0.00 N -ATOM 3616 C13 X 1 23.143 4.991 23.915 0.00 0.00 C -ATOM 3617 C14 X 1 23.575 3.721 25.060 0.00 0.00 C -ATOM 3618 C15 X 1 21.632 5.349 23.956 0.00 0.00 C -ATOM 3619 C16 X 1 21.271 6.721 23.346 0.00 0.00 C -ATOM 3620 N3 X 1 20.862 6.793 21.894 0.00 0.00 N -ATOM 3621 C17 X 1 20.506 8.180 21.375 0.00 0.00 C -ATOM 3622 C18 X 1 19.489 8.702 22.342 0.00 0.00 C -ATOM 3623 C19 X 1 20.907 9.199 22.405 0.00 0.00 C -ATOM 3624 C20 X 1 20.415 8.420 19.907 0.00 0.00 C -ATOM 3625 C21 X 1 19.688 7.539 19.090 0.00 0.00 C -ATOM 3626 C22 X 1 19.548 7.779 17.717 0.00 0.00 C -ATOM 3627 C23 X 1 20.151 8.922 17.176 0.00 0.00 C -ATOM 3628 C24 X 1 20.912 9.804 17.971 0.00 0.00 C -ATOM 3629 C25 X 1 21.051 9.537 19.344 0.00 0.00 C -ATOM 3630 C26 X 1 21.587 11.045 17.374 0.00 0.00 C -ATOM 3631 C27 X 1 21.365 11.190 15.855 0.00 0.00 C -ATOM 3632 C28 X 1 21.036 12.319 18.036 0.00 0.00 C -ATOM 3633 C29 X 1 23.107 11.007 17.612 0.00 0.00 C -ATOM 3634 O4 X 1 20.806 4.321 23.427 0.00 0.00 O -ATOM 3635 C30 X 1 24.897 4.713 19.079 0.00 0.00 C -ATOM 3636 C31 X 1 24.831 8.142 19.996 0.00 0.00 C -ATOM 3637 H20 X 1 24.630 6.282 22.994 0.00 0.00 H -ATOM 3638 H27 X 1 20.062 6.159 21.736 0.00 0.00 H -ATOM 3639 H28 X 1 21.640 6.444 21.321 0.00 0.00 H -ATOM 3640 H46 X 1 20.841 4.382 22.456 0.00 0.00 H -ENDMDL -MODEL 2 -REMARK START VDW: 57939942.231 -REMARK START VDW03: 9.517 -REMARK START Bonds 1.383 -REMARK START Angles: 8.416 -REMARK START Torsions: 17.927 -REMARK START Impropers: 0.050 -REMARK START Density: -277.0666 -REMARK START Total: 57939702.458 -REMARK -REMARK FINAL VDW: 670.800 -REMARK FINAL VDW03: 9.669 -REMARK FINAL Bonds 159.444 -REMARK FINAL Angles: 86.441 -REMARK FINAL Torsions: 33.079 -REMARK FINAL Impropers: 0.341 -REMARK FINAL Density: -321.8475 -REMARK FINAL Total: 637.927 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.472 2.480 26.794 0.00 0.00 C -ATOM 3600 C2 X 1 25.038 3.023 25.771 0.00 0.00 C -ATOM 3601 C3 X 1 26.894 3.645 26.452 0.00 0.00 C -ATOM 3602 C4 X 1 28.410 3.662 25.818 0.00 0.00 C -ATOM 3603 C5 X 1 29.061 5.028 25.267 0.00 0.00 C -ATOM 3604 C6 X 1 29.842 5.040 23.870 0.00 0.00 C -ATOM 3605 C7 X 1 29.849 6.340 22.955 0.00 0.00 C -ATOM 3606 C8 X 1 29.930 6.276 21.370 0.00 0.00 C -ATOM 3607 O1 X 1 28.915 7.108 20.677 0.00 0.00 O -ATOM 3608 C9 X 1 28.162 6.431 19.617 0.00 0.00 C -ATOM 3609 C10 X 1 26.897 7.138 19.185 0.00 0.00 C -ATOM 3610 O2 X 1 27.000 7.890 18.242 0.00 0.00 O -ATOM 3611 N1 X 1 25.667 6.967 19.800 0.00 0.00 N -ATOM 3612 C11 X 1 25.023 5.683 20.266 0.00 0.00 C -ATOM 3613 C12 X 1 23.848 5.401 21.325 0.00 0.00 C -ATOM 3614 O3 X 1 22.812 4.960 20.877 0.00 0.00 O -ATOM 3615 N2 X 1 23.927 5.617 22.708 0.00 0.00 N -ATOM 3616 C13 X 1 23.143 4.991 23.915 0.00 0.00 C -ATOM 3617 C14 X 1 23.575 3.721 25.060 0.00 0.00 C -ATOM 3618 C15 X 1 21.632 5.349 23.956 0.00 0.00 C -ATOM 3619 C16 X 1 21.271 6.721 23.346 0.00 0.00 C -ATOM 3620 N3 X 1 20.862 6.793 21.894 0.00 0.00 N -ATOM 3621 C17 X 1 20.506 8.180 21.375 0.00 0.00 C -ATOM 3622 C18 X 1 19.489 8.702 22.342 0.00 0.00 C -ATOM 3623 C19 X 1 20.907 9.199 22.405 0.00 0.00 C -ATOM 3624 C20 X 1 20.415 8.420 19.907 0.00 0.00 C -ATOM 3625 C21 X 1 19.688 7.539 19.090 0.00 0.00 C -ATOM 3626 C22 X 1 19.548 7.779 17.717 0.00 0.00 C -ATOM 3627 C23 X 1 20.151 8.922 17.176 0.00 0.00 C -ATOM 3628 C24 X 1 20.912 9.804 17.971 0.00 0.00 C -ATOM 3629 C25 X 1 21.051 9.537 19.344 0.00 0.00 C -ATOM 3630 C26 X 1 21.587 11.045 17.374 0.00 0.00 C -ATOM 3631 C27 X 1 21.365 11.190 15.855 0.00 0.00 C -ATOM 3632 C28 X 1 21.036 12.319 18.036 0.00 0.00 C -ATOM 3633 C29 X 1 23.107 11.007 17.612 0.00 0.00 C -ATOM 3634 O4 X 1 20.806 4.321 23.427 0.00 0.00 O -ATOM 3635 C30 X 1 24.897 4.713 19.079 0.00 0.00 C -ATOM 3636 C31 X 1 24.831 8.142 19.996 0.00 0.00 C -ATOM 3637 H20 X 1 24.630 6.282 22.994 0.00 0.00 H -ATOM 3638 H27 X 1 20.062 6.159 21.736 0.00 0.00 H -ATOM 3639 H28 X 1 21.640 6.444 21.321 0.00 0.00 H -ATOM 3640 H46 X 1 20.841 4.382 22.456 0.00 0.00 H -ENDMDL diff --git a/examples/example1/output_example/rec2-lig2-min.json b/examples/example1/output_example/rec2-lig2-min.json deleted file mode 100644 index 5e4969c..0000000 --- a/examples/example1/output_example/rec2-lig2-min.json +++ /dev/null @@ -1,42 +0,0 @@ -[ - { - "START": { - "VDW": 57939942.231397994, - "VDW03": 9.5167565729105004, - "Bonds": 1.3834783740929759, - "Angles": 8.4156106963602735, - "Torsions": 17.92733816046902, - "Impropers": 0.050483722036477531, - "Total": 57939979.525065511 - }, - "FINAL": { - "VDW": 680.96589642758136, - "VDW03": 10.190772825861494, - "Bonds": 133.27474620160677, - "Angles": 95.916010387710344, - "Torsions": 18.643539172542354, - "Impropers": 0.23704556185561415, - "Total": 939.22801057715787 - } - }, - { - "START": { - "VDW": 57939942.231397994, - "VDW03": 9.5167565729105004, - "Bonds": 1.3834783740929759, - "Angles": 8.4156106963602735, - "Torsions": 17.92733816046902, - "Impropers": 0.050483722036477531, - "Total": 57939979.525065511 - }, - "FINAL": { - "VDW": 680.96589642758136, - "VDW03": 10.190772825861494, - "Bonds": 133.27474620160677, - "Angles": 95.916010387710344, - "Torsions": 18.643539172542354, - "Impropers": 0.23704556185561415, - "Total": 939.22801057715787 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec2-lig2-min.pdb b/examples/example1/output_example/rec2-lig2-min.pdb deleted file mode 100644 index 9dc8aca..0000000 --- a/examples/example1/output_example/rec2-lig2-min.pdb +++ /dev/null @@ -1,7314 +0,0 @@ -MODEL 1 -REMARK START VDW: 57939942.231 -REMARK START VDW03: 9.517 -REMARK START Bonds 1.383 -REMARK START Angles: 8.416 -REMARK START Torsions: 17.927 -REMARK START Impropers: 0.050 -REMARK START Total: 57939979.525 -REMARK -REMARK FINAL VDW: 680.966 -REMARK FINAL VDW03: 10.191 -REMARK FINAL Bonds 133.275 -REMARK FINAL Angles: 95.916 -REMARK FINAL Torsions: 18.644 -REMARK FINAL Impropers: 0.237 -REMARK FINAL Total: 939.228 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.472 2.474 26.802 0.00 0.00 C -ATOM 3600 C2 X 1 25.023 3.030 25.775 0.00 0.00 C -ATOM 3601 C3 X 1 26.864 3.602 26.481 0.00 0.00 C -ATOM 3602 C4 X 1 27.967 4.724 26.291 0.00 0.00 C -ATOM 3603 C5 X 1 29.300 4.268 25.658 0.00 0.00 C -ATOM 3604 C6 X 1 30.192 5.262 24.826 0.00 0.00 C -ATOM 3605 C7 X 1 29.432 6.204 23.874 0.00 0.00 C -ATOM 3606 C8 X 1 29.866 6.591 22.394 0.00 0.00 C -ATOM 3607 O1 X 1 29.060 7.785 21.974 0.00 0.00 O -ATOM 3608 C9 X 1 28.093 7.797 20.832 0.00 0.00 C -ATOM 3609 C10 X 1 26.817 8.609 21.178 0.00 0.00 C -ATOM 3610 O2 X 1 26.952 9.814 21.251 0.00 0.00 O -ATOM 3611 N1 X 1 25.545 8.100 21.411 0.00 0.00 N -ATOM 3612 C11 X 1 24.943 6.797 20.992 0.00 0.00 C -ATOM 3613 C12 X 1 23.987 5.887 21.842 0.00 0.00 C -ATOM 3614 O3 X 1 23.319 5.073 21.238 0.00 0.00 O -ATOM 3615 N2 X 1 23.841 5.932 23.211 0.00 0.00 N -ATOM 3616 C13 X 1 23.042 4.909 24.007 0.00 0.00 C -ATOM 3617 C14 X 1 23.557 3.690 25.105 0.00 0.00 C -ATOM 3618 C15 X 1 21.514 5.170 24.078 0.00 0.00 C -ATOM 3619 C16 X 1 21.028 6.513 23.497 0.00 0.00 C -ATOM 3620 N3 X 1 20.915 6.713 22.002 0.00 0.00 N -ATOM 3621 C17 X 1 20.568 8.139 21.580 0.00 0.00 C -ATOM 3622 C18 X 1 19.336 8.476 22.362 0.00 0.00 C -ATOM 3623 C19 X 1 20.663 9.044 22.776 0.00 0.00 C -ATOM 3624 C20 X 1 20.743 8.585 20.172 0.00 0.00 C -ATOM 3625 C21 X 1 19.900 8.086 19.167 0.00 0.00 C -ATOM 3626 C22 X 1 19.972 8.584 17.860 0.00 0.00 C -ATOM 3627 C23 X 1 20.918 9.577 17.577 0.00 0.00 C -ATOM 3628 C24 X 1 21.826 10.036 18.552 0.00 0.00 C -ATOM 3629 C25 X 1 21.737 9.524 19.858 0.00 0.00 C -ATOM 3630 C26 X 1 22.901 11.076 18.211 0.00 0.00 C -ATOM 3631 C27 X 1 22.675 11.750 16.844 0.00 0.00 C -ATOM 3632 C28 X 1 22.942 12.195 19.266 0.00 0.00 C -ATOM 3633 C29 X 1 24.288 10.417 18.170 0.00 0.00 C -ATOM 3634 O4 X 1 20.748 4.084 23.575 0.00 0.00 O -ATOM 3635 C30 X 1 24.436 6.853 19.542 0.00 0.00 C -ATOM 3636 C31 X 1 24.595 8.946 22.135 0.00 0.00 C -ATOM 3637 H20 X 1 24.293 6.670 23.730 0.00 0.00 H -ATOM 3638 H27 X 1 20.202 6.065 21.628 0.00 0.00 H -ATOM 3639 H28 X 1 21.809 6.459 21.562 0.00 0.00 H -ATOM 3640 H46 X 1 20.672 4.195 22.611 0.00 0.00 H -ENDMDL -MODEL 2 -REMARK START VDW: 57939942.231 -REMARK START VDW03: 9.517 -REMARK START Bonds 1.383 -REMARK START Angles: 8.416 -REMARK START Torsions: 17.927 -REMARK START Impropers: 0.050 -REMARK START Total: 57939979.525 -REMARK -REMARK FINAL VDW: 680.966 -REMARK FINAL VDW03: 10.191 -REMARK FINAL Bonds 133.275 -REMARK FINAL Angles: 95.916 -REMARK FINAL Torsions: 18.644 -REMARK FINAL Impropers: 0.237 -REMARK FINAL Total: 939.228 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.472 2.474 26.802 0.00 0.00 C -ATOM 3600 C2 X 1 25.023 3.030 25.775 0.00 0.00 C -ATOM 3601 C3 X 1 26.864 3.602 26.481 0.00 0.00 C -ATOM 3602 C4 X 1 27.967 4.724 26.291 0.00 0.00 C -ATOM 3603 C5 X 1 29.300 4.268 25.658 0.00 0.00 C -ATOM 3604 C6 X 1 30.192 5.262 24.826 0.00 0.00 C -ATOM 3605 C7 X 1 29.432 6.204 23.874 0.00 0.00 C -ATOM 3606 C8 X 1 29.866 6.591 22.394 0.00 0.00 C -ATOM 3607 O1 X 1 29.060 7.785 21.974 0.00 0.00 O -ATOM 3608 C9 X 1 28.093 7.797 20.832 0.00 0.00 C -ATOM 3609 C10 X 1 26.817 8.609 21.178 0.00 0.00 C -ATOM 3610 O2 X 1 26.952 9.814 21.251 0.00 0.00 O -ATOM 3611 N1 X 1 25.545 8.100 21.411 0.00 0.00 N -ATOM 3612 C11 X 1 24.943 6.797 20.992 0.00 0.00 C -ATOM 3613 C12 X 1 23.987 5.887 21.842 0.00 0.00 C -ATOM 3614 O3 X 1 23.319 5.073 21.238 0.00 0.00 O -ATOM 3615 N2 X 1 23.841 5.932 23.211 0.00 0.00 N -ATOM 3616 C13 X 1 23.042 4.909 24.007 0.00 0.00 C -ATOM 3617 C14 X 1 23.557 3.690 25.105 0.00 0.00 C -ATOM 3618 C15 X 1 21.514 5.170 24.078 0.00 0.00 C -ATOM 3619 C16 X 1 21.028 6.513 23.497 0.00 0.00 C -ATOM 3620 N3 X 1 20.915 6.713 22.002 0.00 0.00 N -ATOM 3621 C17 X 1 20.568 8.139 21.580 0.00 0.00 C -ATOM 3622 C18 X 1 19.336 8.476 22.362 0.00 0.00 C -ATOM 3623 C19 X 1 20.663 9.044 22.776 0.00 0.00 C -ATOM 3624 C20 X 1 20.743 8.585 20.172 0.00 0.00 C -ATOM 3625 C21 X 1 19.900 8.086 19.167 0.00 0.00 C -ATOM 3626 C22 X 1 19.972 8.584 17.860 0.00 0.00 C -ATOM 3627 C23 X 1 20.918 9.577 17.577 0.00 0.00 C -ATOM 3628 C24 X 1 21.826 10.036 18.552 0.00 0.00 C -ATOM 3629 C25 X 1 21.737 9.524 19.858 0.00 0.00 C -ATOM 3630 C26 X 1 22.901 11.076 18.211 0.00 0.00 C -ATOM 3631 C27 X 1 22.675 11.750 16.844 0.00 0.00 C -ATOM 3632 C28 X 1 22.942 12.195 19.266 0.00 0.00 C -ATOM 3633 C29 X 1 24.288 10.417 18.170 0.00 0.00 C -ATOM 3634 O4 X 1 20.748 4.084 23.575 0.00 0.00 O -ATOM 3635 C30 X 1 24.436 6.853 19.542 0.00 0.00 C -ATOM 3636 C31 X 1 24.595 8.946 22.135 0.00 0.00 C -ATOM 3637 H20 X 1 24.293 6.670 23.730 0.00 0.00 H -ATOM 3638 H27 X 1 20.202 6.065 21.628 0.00 0.00 H -ATOM 3639 H28 X 1 21.809 6.459 21.562 0.00 0.00 H -ATOM 3640 H46 X 1 20.672 4.195 22.611 0.00 0.00 H -ENDMDL diff --git a/examples/example1/output_example/rec2-lig2-pairspr.json b/examples/example1/output_example/rec2-lig2-pairspr.json deleted file mode 100644 index 7c54bc8..0000000 --- a/examples/example1/output_example/rec2-lig2-pairspr.json +++ /dev/null @@ -1,46 +0,0 @@ -[ - { - "START": { - "VDW": -10.712793348262151, - "VDW03": 8.9554937663497522, - "Bonds": 6.9575267759003001, - "Angles": 26.363759089568976, - "Torsions": 19.251403632036915, - "Impropers": 19.391964271509487, - "Pairsprings": 4116.8851749039413, - "Total": 4187.0925290910445 - }, - "FINAL": { - "VDW": -29.38388082063933, - "VDW03": 10.380456644372646, - "Bonds": 1.9305937240319311, - "Angles": 9.6926684274478241, - "Torsions": 18.88118533852716, - "Impropers": 0.06187942377221084, - "Pairsprings": 15.054023840881211, - "Total": 26.616926578393652 - } - }, - { - "START": { - "VDW": -10.712793348262151, - "VDW03": 8.9554937663497522, - "Bonds": 6.9575267759003001, - "Angles": 26.363759089568976, - "Torsions": 19.251403632036915, - "Impropers": 19.391964271509487, - "Pairsprings": 4116.8851749039413, - "Total": 4187.0925290910445 - }, - "FINAL": { - "VDW": -29.38388082063933, - "VDW03": 10.380456644372646, - "Bonds": 1.9305937240319311, - "Angles": 9.6926684274478241, - "Torsions": 18.88118533852716, - "Impropers": 0.06187942377221084, - "Pairsprings": 15.054023840881211, - "Total": 26.616926578393652 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec2-lig2-pairspr.pdb b/examples/example1/output_example/rec2-lig2-pairspr.pdb deleted file mode 100644 index 3fc9c00..0000000 --- a/examples/example1/output_example/rec2-lig2-pairspr.pdb +++ /dev/null @@ -1,7318 +0,0 @@ -MODEL 1 -REMARK START VDW: -10.713 -REMARK START VDW03: 8.955 -REMARK START Bonds 6.958 -REMARK START Angles: 26.364 -REMARK START Torsions: 19.251 -REMARK START Impropers: 19.392 -REMARK START Pairsprings: 4116.885 -REMARK START Total: 4187.093 -REMARK -REMARK FINAL VDW: -29.384 -REMARK FINAL VDW03: 10.380 -REMARK FINAL Bonds 1.931 -REMARK FINAL Angles: 9.693 -REMARK FINAL Torsions: 18.881 -REMARK FINAL Impropers: 0.062 -REMARK FINAL Pairsprings: 15.054 -REMARK FINAL Total: 26.617 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 23.480 14.312 19.654 0.00 0.00 C -ATOM 3600 C2 X 1 23.287 15.505 18.678 0.00 0.00 C -ATOM 3601 C3 X 1 23.877 16.794 19.277 0.00 0.00 C -ATOM 3602 C4 X 1 25.363 16.915 18.907 0.00 0.00 C -ATOM 3603 C5 X 1 25.544 17.131 17.393 0.00 0.00 C -ATOM 3604 C6 X 1 24.962 18.477 16.943 0.00 0.00 C -ATOM 3605 C7 X 1 25.502 18.884 15.565 0.00 0.00 C -ATOM 3606 C8 X 1 25.478 20.407 15.376 0.00 0.00 C -ATOM 3607 O1 X 1 24.128 20.884 15.529 0.00 0.00 O -ATOM 3608 C9 X 1 23.293 20.715 14.365 0.00 0.00 C -ATOM 3609 C10 X 1 22.028 20.039 14.816 0.00 0.00 C -ATOM 3610 O2 X 1 21.534 20.298 15.893 0.00 0.00 O -ATOM 3611 N1 X 1 21.485 19.140 13.963 0.00 0.00 N -ATOM 3612 C11 X 1 20.406 18.193 14.293 0.00 0.00 C -ATOM 3613 C12 X 1 20.439 17.386 15.586 0.00 0.00 C -ATOM 3614 O3 X 1 19.576 16.562 15.821 0.00 0.00 O -ATOM 3615 N2 X 1 21.445 17.605 16.463 0.00 0.00 N -ATOM 3616 C13 X 1 21.431 17.145 17.861 0.00 0.00 C -ATOM 3617 C14 X 1 21.825 15.679 18.178 0.00 0.00 C -ATOM 3618 C15 X 1 20.293 17.714 18.739 0.00 0.00 C -ATOM 3619 C16 X 1 20.156 19.248 18.631 0.00 0.00 C -ATOM 3620 N3 X 1 19.213 19.788 17.575 0.00 0.00 N -ATOM 3621 C17 X 1 19.007 21.298 17.583 0.00 0.00 C -ATOM 3622 C18 X 1 18.243 21.530 18.853 0.00 0.00 C -ATOM 3623 C19 X 1 19.697 21.896 18.777 0.00 0.00 C -ATOM 3624 C20 X 1 18.698 22.003 16.309 0.00 0.00 C -ATOM 3625 C21 X 1 17.473 21.780 15.662 0.00 0.00 C -ATOM 3626 C22 X 1 17.155 22.436 14.464 0.00 0.00 C -ATOM 3627 C23 X 1 18.094 23.319 13.919 0.00 0.00 C -ATOM 3628 C24 X 1 19.332 23.554 14.550 0.00 0.00 C -ATOM 3629 C25 X 1 19.632 22.890 15.754 0.00 0.00 C -ATOM 3630 C26 X 1 20.333 24.525 13.915 0.00 0.00 C -ATOM 3631 C27 X 1 20.968 23.872 12.677 0.00 0.00 C -ATOM 3632 C28 X 1 19.654 25.833 13.476 0.00 0.00 C -ATOM 3633 C29 X 1 21.480 24.916 14.860 0.00 0.00 C -ATOM 3634 O4 X 1 19.049 17.066 18.477 0.00 0.00 O -ATOM 3635 C30 X 1 19.008 18.776 14.033 0.00 0.00 C -ATOM 3636 C31 X 1 21.941 19.037 12.574 0.00 0.00 C -ATOM 3637 H20 X 1 22.258 18.130 16.170 0.00 0.00 H -ATOM 3638 H27 X 1 18.295 19.332 17.696 0.00 0.00 H -ATOM 3639 H28 X 1 19.557 19.511 16.637 0.00 0.00 H -ATOM 3640 H46 X 1 18.383 17.453 19.078 0.00 0.00 H -ENDMDL -MODEL 2 -REMARK START VDW: -10.713 -REMARK START VDW03: 8.955 -REMARK START Bonds 6.958 -REMARK START Angles: 26.364 -REMARK START Torsions: 19.251 -REMARK START Impropers: 19.392 -REMARK START Pairsprings: 4116.885 -REMARK START Total: 4187.093 -REMARK -REMARK FINAL VDW: -29.384 -REMARK FINAL VDW03: 10.380 -REMARK FINAL Bonds 1.931 -REMARK FINAL Angles: 9.693 -REMARK FINAL Torsions: 18.881 -REMARK FINAL Impropers: 0.062 -REMARK FINAL Pairsprings: 15.054 -REMARK FINAL Total: 26.617 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 23.480 14.312 19.654 0.00 0.00 C -ATOM 3600 C2 X 1 23.287 15.505 18.678 0.00 0.00 C -ATOM 3601 C3 X 1 23.877 16.794 19.277 0.00 0.00 C -ATOM 3602 C4 X 1 25.363 16.915 18.907 0.00 0.00 C -ATOM 3603 C5 X 1 25.544 17.131 17.393 0.00 0.00 C -ATOM 3604 C6 X 1 24.962 18.477 16.943 0.00 0.00 C -ATOM 3605 C7 X 1 25.502 18.884 15.565 0.00 0.00 C -ATOM 3606 C8 X 1 25.478 20.407 15.376 0.00 0.00 C -ATOM 3607 O1 X 1 24.128 20.884 15.529 0.00 0.00 O -ATOM 3608 C9 X 1 23.293 20.715 14.365 0.00 0.00 C -ATOM 3609 C10 X 1 22.028 20.039 14.816 0.00 0.00 C -ATOM 3610 O2 X 1 21.534 20.298 15.893 0.00 0.00 O -ATOM 3611 N1 X 1 21.485 19.140 13.963 0.00 0.00 N -ATOM 3612 C11 X 1 20.406 18.193 14.293 0.00 0.00 C -ATOM 3613 C12 X 1 20.439 17.386 15.586 0.00 0.00 C -ATOM 3614 O3 X 1 19.576 16.562 15.821 0.00 0.00 O -ATOM 3615 N2 X 1 21.445 17.605 16.463 0.00 0.00 N -ATOM 3616 C13 X 1 21.431 17.145 17.861 0.00 0.00 C -ATOM 3617 C14 X 1 21.825 15.679 18.178 0.00 0.00 C -ATOM 3618 C15 X 1 20.293 17.714 18.739 0.00 0.00 C -ATOM 3619 C16 X 1 20.156 19.248 18.631 0.00 0.00 C -ATOM 3620 N3 X 1 19.213 19.788 17.575 0.00 0.00 N -ATOM 3621 C17 X 1 19.007 21.298 17.583 0.00 0.00 C -ATOM 3622 C18 X 1 18.243 21.530 18.853 0.00 0.00 C -ATOM 3623 C19 X 1 19.697 21.896 18.777 0.00 0.00 C -ATOM 3624 C20 X 1 18.698 22.003 16.309 0.00 0.00 C -ATOM 3625 C21 X 1 17.473 21.780 15.662 0.00 0.00 C -ATOM 3626 C22 X 1 17.155 22.436 14.464 0.00 0.00 C -ATOM 3627 C23 X 1 18.094 23.319 13.919 0.00 0.00 C -ATOM 3628 C24 X 1 19.332 23.554 14.550 0.00 0.00 C -ATOM 3629 C25 X 1 19.632 22.890 15.754 0.00 0.00 C -ATOM 3630 C26 X 1 20.333 24.525 13.915 0.00 0.00 C -ATOM 3631 C27 X 1 20.968 23.872 12.677 0.00 0.00 C -ATOM 3632 C28 X 1 19.654 25.833 13.476 0.00 0.00 C -ATOM 3633 C29 X 1 21.480 24.916 14.860 0.00 0.00 C -ATOM 3634 O4 X 1 19.049 17.066 18.477 0.00 0.00 O -ATOM 3635 C30 X 1 19.008 18.776 14.033 0.00 0.00 C -ATOM 3636 C31 X 1 21.941 19.037 12.574 0.00 0.00 C -ATOM 3637 H20 X 1 22.258 18.130 16.170 0.00 0.00 H -ATOM 3638 H27 X 1 18.295 19.332 17.696 0.00 0.00 H -ATOM 3639 H28 X 1 19.557 19.511 16.637 0.00 0.00 H -ATOM 3640 H46 X 1 18.383 17.453 19.078 0.00 0.00 H -ENDMDL diff --git a/examples/example1/output_example/rec2-lig2-pointspr-density.json b/examples/example1/output_example/rec2-lig2-pointspr-density.json deleted file mode 100644 index fe38c3b..0000000 --- a/examples/example1/output_example/rec2-lig2-pointspr-density.json +++ /dev/null @@ -1,50 +0,0 @@ -[ - { - "START": { - "VDW": 57939942.231397994, - "VDW03": 9.5167565729105004, - "Bonds": 1.3834783740929759, - "Angles": 8.4156106963602735, - "Torsions": 17.92733816046902, - "Impropers": 0.050483722036477531, - "Pointsprings": 607.14072504166688, - "Density": -277.06657653400663, - "Total": 57940309.599214017 - }, - "FINAL": { - "VDW": 1069.3270325856772, - "VDW03": 10.736842005196758, - "Bonds": 1506.2854082041588, - "Angles": 133.91225925803866, - "Torsions": 43.991870373497605, - "Impropers": 0.87656414814627504, - "Pointsprings": 274.18291737729015, - "Density": -753.96317173740465, - "Total": 2285.3497222146011 - } - }, - { - "START": { - "VDW": 57939942.231397994, - "VDW03": 9.5167565729105004, - "Bonds": 1.3834783740929759, - "Angles": 8.4156106963602735, - "Torsions": 17.92733816046902, - "Impropers": 0.050483722036477531, - "Pointsprings": 607.14072504166688, - "Density": -277.06657653400663, - "Total": 57940309.599214017 - }, - "FINAL": { - "VDW": 1069.3270325856772, - "VDW03": 10.736842005196758, - "Bonds": 1506.2854082041588, - "Angles": 133.91225925803866, - "Torsions": 43.991870373497605, - "Impropers": 0.87656414814627504, - "Pointsprings": 274.18291737729015, - "Density": -753.96317173740465, - "Total": 2285.3497222146011 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec2-lig2-pointspr-density.pdb b/examples/example1/output_example/rec2-lig2-pointspr-density.pdb deleted file mode 100644 index 7f7ccc5..0000000 --- a/examples/example1/output_example/rec2-lig2-pointspr-density.pdb +++ /dev/null @@ -1,7322 +0,0 @@ -MODEL 1 -REMARK START VDW: 57939942.231 -REMARK START VDW03: 9.517 -REMARK START Bonds 1.383 -REMARK START Angles: 8.416 -REMARK START Torsions: 17.927 -REMARK START Impropers: 0.050 -REMARK START Pointsprings: 607.141 -REMARK START Density: -277.0666 -REMARK START Total: 57940309.599 -REMARK -REMARK FINAL VDW: 1069.327 -REMARK FINAL VDW03: 10.737 -REMARK FINAL Bonds 1506.285 -REMARK FINAL Angles: 133.912 -REMARK FINAL Torsions: 43.992 -REMARK FINAL Impropers: 0.877 -REMARK FINAL Pointsprings: 274.183 -REMARK FINAL Density: -753.9632 -REMARK FINAL Total: 2285.350 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.445 2.888 25.418 0.00 0.00 C -ATOM 3600 C2 X 1 25.208 2.204 24.149 0.00 0.00 C -ATOM 3601 C3 X 1 27.722 2.805 25.136 0.00 0.00 C -ATOM 3602 C4 X 1 28.935 4.037 25.062 0.00 0.00 C -ATOM 3603 C5 X 1 29.417 5.311 24.075 0.00 0.00 C -ATOM 3604 C6 X 1 30.214 5.441 22.624 0.00 0.00 C -ATOM 3605 C7 X 1 29.862 6.699 21.618 0.00 0.00 C -ATOM 3606 C8 X 1 30.659 7.215 20.312 0.00 0.00 C -ATOM 3607 O1 X 1 29.820 7.398 19.069 0.00 0.00 O -ATOM 3608 C9 X 1 30.270 7.831 17.679 0.00 0.00 C -ATOM 3609 C10 X 1 29.779 6.871 16.534 0.00 0.00 C -ATOM 3610 O2 X 1 30.554 6.361 15.743 0.00 0.00 O -ATOM 3611 N1 X 1 28.459 6.581 16.396 0.00 0.00 N -ATOM 3612 C11 X 1 27.854 5.271 16.726 0.00 0.00 C -ATOM 3613 C12 X 1 26.462 5.174 17.434 0.00 0.00 C -ATOM 3614 O3 X 1 25.536 5.616 16.789 0.00 0.00 O -ATOM 3615 N2 X 1 26.298 4.611 18.734 0.00 0.00 N -ATOM 3616 C13 X 1 25.163 4.754 19.876 0.00 0.00 C -ATOM 3617 C14 X 1 24.546 3.945 21.397 0.00 0.00 C -ATOM 3618 C15 X 1 25.109 6.311 19.932 0.00 0.00 C -ATOM 3619 C16 X 1 26.525 6.942 19.981 0.00 0.00 C -ATOM 3620 N3 X 1 27.053 7.626 18.772 0.00 0.00 N -ATOM 3621 C17 X 1 26.795 9.102 18.904 0.00 0.00 C -ATOM 3622 C18 X 1 27.702 9.441 20.049 0.00 0.00 C -ATOM 3623 C19 X 1 28.036 9.898 18.669 0.00 0.00 C -ATOM 3624 C20 X 1 25.434 9.676 18.739 0.00 0.00 C -ATOM 3625 C21 X 1 24.508 9.628 19.796 0.00 0.00 C -ATOM 3626 C22 X 1 23.230 10.183 19.671 0.00 0.00 C -ATOM 3627 C23 X 1 22.913 10.847 18.482 0.00 0.00 C -ATOM 3628 C24 X 1 23.837 10.945 17.425 0.00 0.00 C -ATOM 3629 C25 X 1 25.082 10.292 17.530 0.00 0.00 C -ATOM 3630 C26 X 1 23.467 11.779 16.195 0.00 0.00 C -ATOM 3631 C27 X 1 24.537 11.731 15.095 0.00 0.00 C -ATOM 3632 C28 X 1 22.140 11.316 15.573 0.00 0.00 C -ATOM 3633 C29 X 1 23.308 13.253 16.601 0.00 0.00 C -ATOM 3634 O4 X 1 24.536 6.812 18.728 0.00 0.00 O -ATOM 3635 C30 X 1 27.683 4.691 15.325 0.00 0.00 C -ATOM 3636 C31 X 1 27.567 7.560 15.812 0.00 0.00 C -ATOM 3637 H20 X 1 27.079 4.040 18.968 0.00 0.00 H -ATOM 3638 H27 X 1 26.626 7.239 17.924 0.00 0.00 H -ATOM 3639 H28 X 1 28.034 7.393 18.680 0.00 0.00 H -ATOM 3640 H46 X 1 25.283 6.980 18.107 0.00 0.00 H -ENDMDL -MODEL 2 -REMARK START VDW: 57939942.231 -REMARK START VDW03: 9.517 -REMARK START Bonds 1.383 -REMARK START Angles: 8.416 -REMARK START Torsions: 17.927 -REMARK START Impropers: 0.050 -REMARK START Pointsprings: 607.141 -REMARK START Density: -277.0666 -REMARK START Total: 57940309.599 -REMARK -REMARK FINAL VDW: 1069.327 -REMARK FINAL VDW03: 10.737 -REMARK FINAL Bonds 1506.285 -REMARK FINAL Angles: 133.912 -REMARK FINAL Torsions: 43.992 -REMARK FINAL Impropers: 0.877 -REMARK FINAL Pointsprings: 274.183 -REMARK FINAL Density: -753.9632 -REMARK FINAL Total: 2285.350 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.445 2.888 25.418 0.00 0.00 C -ATOM 3600 C2 X 1 25.208 2.204 24.149 0.00 0.00 C -ATOM 3601 C3 X 1 27.722 2.805 25.136 0.00 0.00 C -ATOM 3602 C4 X 1 28.935 4.037 25.062 0.00 0.00 C -ATOM 3603 C5 X 1 29.417 5.311 24.075 0.00 0.00 C -ATOM 3604 C6 X 1 30.214 5.441 22.624 0.00 0.00 C -ATOM 3605 C7 X 1 29.862 6.699 21.618 0.00 0.00 C -ATOM 3606 C8 X 1 30.659 7.215 20.312 0.00 0.00 C -ATOM 3607 O1 X 1 29.820 7.398 19.069 0.00 0.00 O -ATOM 3608 C9 X 1 30.270 7.831 17.679 0.00 0.00 C -ATOM 3609 C10 X 1 29.779 6.871 16.534 0.00 0.00 C -ATOM 3610 O2 X 1 30.554 6.361 15.743 0.00 0.00 O -ATOM 3611 N1 X 1 28.459 6.581 16.396 0.00 0.00 N -ATOM 3612 C11 X 1 27.854 5.271 16.726 0.00 0.00 C -ATOM 3613 C12 X 1 26.462 5.174 17.434 0.00 0.00 C -ATOM 3614 O3 X 1 25.536 5.616 16.789 0.00 0.00 O -ATOM 3615 N2 X 1 26.298 4.611 18.734 0.00 0.00 N -ATOM 3616 C13 X 1 25.163 4.754 19.876 0.00 0.00 C -ATOM 3617 C14 X 1 24.546 3.945 21.397 0.00 0.00 C -ATOM 3618 C15 X 1 25.109 6.311 19.932 0.00 0.00 C -ATOM 3619 C16 X 1 26.525 6.942 19.981 0.00 0.00 C -ATOM 3620 N3 X 1 27.053 7.626 18.772 0.00 0.00 N -ATOM 3621 C17 X 1 26.795 9.102 18.904 0.00 0.00 C -ATOM 3622 C18 X 1 27.702 9.441 20.049 0.00 0.00 C -ATOM 3623 C19 X 1 28.036 9.898 18.669 0.00 0.00 C -ATOM 3624 C20 X 1 25.434 9.676 18.739 0.00 0.00 C -ATOM 3625 C21 X 1 24.508 9.628 19.796 0.00 0.00 C -ATOM 3626 C22 X 1 23.230 10.183 19.671 0.00 0.00 C -ATOM 3627 C23 X 1 22.913 10.847 18.482 0.00 0.00 C -ATOM 3628 C24 X 1 23.837 10.945 17.425 0.00 0.00 C -ATOM 3629 C25 X 1 25.082 10.292 17.530 0.00 0.00 C -ATOM 3630 C26 X 1 23.467 11.779 16.195 0.00 0.00 C -ATOM 3631 C27 X 1 24.537 11.731 15.095 0.00 0.00 C -ATOM 3632 C28 X 1 22.140 11.316 15.573 0.00 0.00 C -ATOM 3633 C29 X 1 23.308 13.253 16.601 0.00 0.00 C -ATOM 3634 O4 X 1 24.536 6.812 18.728 0.00 0.00 O -ATOM 3635 C30 X 1 27.683 4.691 15.325 0.00 0.00 C -ATOM 3636 C31 X 1 27.567 7.560 15.812 0.00 0.00 C -ATOM 3637 H20 X 1 27.079 4.040 18.968 0.00 0.00 H -ATOM 3638 H27 X 1 26.626 7.239 17.924 0.00 0.00 H -ATOM 3639 H28 X 1 28.034 7.393 18.680 0.00 0.00 H -ATOM 3640 H46 X 1 25.283 6.980 18.107 0.00 0.00 H -ENDMDL diff --git a/examples/example1/output_example/rec2-lig2-pointspr.json b/examples/example1/output_example/rec2-lig2-pointspr.json deleted file mode 100644 index 3f32d7c..0000000 --- a/examples/example1/output_example/rec2-lig2-pointspr.json +++ /dev/null @@ -1,46 +0,0 @@ -[ - { - "START": { - "VDW": -10.712793348262151, - "VDW03": 8.9554937663497522, - "Bonds": 6.9575267759003001, - "Angles": 26.363759089568976, - "Torsions": 19.251403632036915, - "Impropers": 19.391964271509487, - "Pointsprings": 20460.807504, - "Total": 20531.014858187104 - }, - "FINAL": { - "VDW": -22.67963372391641, - "VDW03": 8.420070911510722, - "Bonds": 1.8455440232369673, - "Angles": 7.5692031968194327, - "Torsions": 21.895492525378845, - "Impropers": 0.015353386571680252, - "Pointsprings": 195.57878915545103, - "Total": 212.64481947505226 - } - }, - { - "START": { - "VDW": -10.712793348262151, - "VDW03": 8.9554937663497522, - "Bonds": 6.9575267759003001, - "Angles": 26.363759089568976, - "Torsions": 19.251403632036915, - "Impropers": 19.391964271509487, - "Pointsprings": 20460.807504, - "Total": 20531.014858187104 - }, - "FINAL": { - "VDW": -22.67963372391641, - "VDW03": 8.420070911510722, - "Bonds": 1.8455440232369673, - "Angles": 7.5692031968194327, - "Torsions": 21.895492525378845, - "Impropers": 0.015353386571680252, - "Pointsprings": 195.57878915545103, - "Total": 212.64481947505226 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec2-lig2-pointspr.pdb b/examples/example1/output_example/rec2-lig2-pointspr.pdb deleted file mode 100644 index 0840abe..0000000 --- a/examples/example1/output_example/rec2-lig2-pointspr.pdb +++ /dev/null @@ -1,7318 +0,0 @@ -MODEL 1 -REMARK START VDW: -10.713 -REMARK START VDW03: 8.955 -REMARK START Bonds 6.958 -REMARK START Angles: 26.364 -REMARK START Torsions: 19.251 -REMARK START Impropers: 19.392 -REMARK START Pointsprings: 20460.808 -REMARK START Total: 20531.015 -REMARK -REMARK FINAL VDW: -22.680 -REMARK FINAL VDW03: 8.420 -REMARK FINAL Bonds 1.846 -REMARK FINAL Angles: 7.569 -REMARK FINAL Torsions: 21.895 -REMARK FINAL Impropers: 0.015 -REMARK FINAL Pointsprings: 195.579 -REMARK FINAL Total: 212.645 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.673 4.150 20.223 0.00 0.00 C -ATOM 3600 C2 X 1 23.671 5.334 20.112 0.00 0.00 C -ATOM 3601 C3 X 1 24.247 6.486 19.260 0.00 0.00 C -ATOM 3602 C4 X 1 24.027 7.855 19.939 0.00 0.00 C -ATOM 3603 C5 X 1 23.737 8.967 18.915 0.00 0.00 C -ATOM 3604 C6 X 1 22.283 9.473 19.005 0.00 0.00 C -ATOM 3605 C7 X 1 21.978 10.524 17.922 0.00 0.00 C -ATOM 3606 C8 X 1 20.598 10.310 17.266 0.00 0.00 C -ATOM 3607 O1 X 1 20.409 8.911 16.950 0.00 0.00 O -ATOM 3608 C9 X 1 19.398 8.650 15.948 0.00 0.00 C -ATOM 3609 C10 X 1 18.143 8.071 16.577 0.00 0.00 C -ATOM 3610 O2 X 1 17.198 8.774 16.866 0.00 0.00 O -ATOM 3611 N1 X 1 18.105 6.737 16.809 0.00 0.00 N -ATOM 3612 C11 X 1 19.157 5.807 16.375 0.00 0.00 C -ATOM 3613 C12 X 1 19.942 5.215 17.518 0.00 0.00 C -ATOM 3614 O3 X 1 20.099 4.020 17.663 0.00 0.00 O -ATOM 3615 N2 X 1 20.445 6.144 18.356 0.00 0.00 N -ATOM 3616 C13 X 1 21.186 5.897 19.593 0.00 0.00 C -ATOM 3617 C14 X 1 22.316 4.850 19.554 0.00 0.00 C -ATOM 3618 C15 X 1 20.329 5.974 20.871 0.00 0.00 C -ATOM 3619 C16 X 1 20.106 7.471 21.178 0.00 0.00 C -ATOM 3620 N3 X 1 18.742 7.903 21.656 0.00 0.00 N -ATOM 3621 C17 X 1 18.454 9.367 21.366 0.00 0.00 C -ATOM 3622 C18 X 1 18.005 9.372 19.939 0.00 0.00 C -ATOM 3623 C19 X 1 16.990 9.364 21.043 0.00 0.00 C -ATOM 3624 C20 X 1 19.170 10.503 22.041 0.00 0.00 C -ATOM 3625 C21 X 1 20.094 10.270 23.074 0.00 0.00 C -ATOM 3626 C22 X 1 20.752 11.326 23.720 0.00 0.00 C -ATOM 3627 C23 X 1 20.471 12.636 23.312 0.00 0.00 C -ATOM 3628 C24 X 1 19.560 12.902 22.273 0.00 0.00 C -ATOM 3629 C25 X 1 18.910 11.825 21.640 0.00 0.00 C -ATOM 3630 C26 X 1 19.285 14.344 21.829 0.00 0.00 C -ATOM 3631 C27 X 1 17.795 14.557 21.499 0.00 0.00 C -ATOM 3632 C28 X 1 19.671 15.395 22.890 0.00 0.00 C -ATOM 3633 C29 X 1 20.115 14.650 20.572 0.00 0.00 C -ATOM 3634 O4 X 1 19.073 5.316 20.661 0.00 0.00 O -ATOM 3635 C30 X 1 18.719 4.751 15.344 0.00 0.00 C -ATOM 3636 C31 X 1 16.975 6.127 17.524 0.00 0.00 C -ATOM 3637 H20 X 1 20.299 7.113 18.123 0.00 0.00 H -ATOM 3638 H27 X 1 18.644 7.732 22.670 0.00 0.00 H -ATOM 3639 H28 X 1 18.032 7.321 21.182 0.00 0.00 H -ATOM 3640 H46 X 1 18.520 5.416 21.458 0.00 0.00 H -ENDMDL -MODEL 2 -REMARK START VDW: -10.713 -REMARK START VDW03: 8.955 -REMARK START Bonds 6.958 -REMARK START Angles: 26.364 -REMARK START Torsions: 19.251 -REMARK START Impropers: 19.392 -REMARK START Pointsprings: 20460.808 -REMARK START Total: 20531.015 -REMARK -REMARK FINAL VDW: -22.680 -REMARK FINAL VDW03: 8.420 -REMARK FINAL Bonds 1.846 -REMARK FINAL Angles: 7.569 -REMARK FINAL Torsions: 21.895 -REMARK FINAL Impropers: 0.015 -REMARK FINAL Pointsprings: 195.579 -REMARK FINAL Total: 212.645 -ATOM 1 N GLU A 1 52.336 3.436 32.478 1.00 0.00 A0 N -ATOM 2 H GLU A 1 51.426 3.033 32.573 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 52.198 4.833 32.052 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.429 5.265 31.253 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.747 5.106 32.016 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.978 5.324 31.141 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 56.030 4.763 30.020 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.902 6.045 31.582 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.937 5.061 31.203 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.498 6.200 31.024 1.00 0.00 A0 O -ATOM 11 N MET A 2 50.354 3.981 30.687 1.00 0.00 A0 N -ATOM 12 H MET A 2 50.611 3.018 30.767 0.00 0.00 A0 H -ATOM 13 CA MET A 2 49.153 4.086 29.862 1.00 0.00 A0 C -ATOM 14 CB MET A 2 49.311 3.225 28.602 1.00 0.00 A0 C -ATOM 15 CG MET A 2 50.501 3.624 27.743 1.00 0.00 A0 C -ATOM 16 SD MET A 2 50.659 2.654 26.219 1.00 0.00 A0 S -ATOM 17 CE MET A 2 51.896 1.500 26.654 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.887 3.694 30.618 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.780 3.870 30.109 1.00 0.00 A0 O -ATOM 20 N VAL A 3 48.031 3.158 31.829 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.846 2.935 32.363 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.845 2.794 32.598 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.216 2.085 33.927 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 45.944 1.814 34.750 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.937 0.769 33.628 1.00 0.00 A0 C -ATOM 26 C VAL A 3 46.089 4.088 32.900 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.704 5.120 33.183 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.762 4.040 32.802 1.00 0.00 A0 N -ATOM 29 H ASP A 4 44.179 3.264 32.563 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.921 5.208 33.051 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 44.112 5.707 34.493 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.604 4.715 35.527 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.793 4.969 36.738 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 43.008 3.682 35.134 1.00 0.00 A0 O -ATOM 35 C ASP A 4 44.136 6.384 32.088 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.811 7.519 32.437 1.00 0.00 A0 O -ATOM 37 N ASN A 5 44.669 6.137 30.888 1.00 0.00 A0 N -ATOM 38 H ASN A 5 44.982 5.285 30.470 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 44.874 7.236 29.942 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 46.009 6.929 28.950 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 45.737 5.696 28.089 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 44.697 5.046 28.212 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 46.682 5.374 27.213 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 47.431 6.033 27.285 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 46.397 4.557 26.712 0.00 0.00 A0 H -ATOM 46 C ASN A 5 43.612 7.633 29.169 1.00 0.00 A0 C -ATOM 47 O ASN A 5 43.676 8.507 28.317 1.00 0.00 A0 O -ATOM 48 N LEU A 6 42.474 7.010 29.474 1.00 0.00 A0 N -ATOM 49 H LEU A 6 42.304 6.288 30.145 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 41.213 7.341 28.797 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 40.534 6.091 28.210 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 41.297 5.156 27.272 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 40.327 4.095 26.693 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 41.918 5.967 26.160 1.00 0.00 A0 C -ATOM 55 C LEU A 6 40.198 7.981 29.742 1.00 0.00 A0 C -ATOM 56 O LEU A 6 40.114 7.621 30.919 1.00 0.00 A0 O -ATOM 57 N ARG A 7 39.408 8.904 29.199 1.00 0.00 A0 N -ATOM 58 H ARG A 7 39.421 9.249 28.260 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 38.350 9.583 29.940 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 38.812 10.971 30.407 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 39.876 10.940 31.506 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.313 10.345 32.803 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.255 10.435 33.924 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.180 11.051 34.708 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.359 9.697 34.055 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.682 8.794 33.137 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.534 8.346 33.407 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.988 8.799 32.417 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.150 9.868 35.108 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 42.922 9.236 35.041 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 41.766 10.584 35.691 0.00 0.00 A0 H -ATOM 72 C ARG A 7 37.178 9.743 28.985 1.00 0.00 A0 C -ATOM 73 O ARG A 7 37.339 9.595 27.774 1.00 0.00 A0 O -ATOM 74 N GLY A 8 36.002 10.048 29.520 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.726 10.182 30.472 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.850 10.243 28.662 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.585 10.479 29.453 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.610 10.494 30.681 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.478 10.678 28.748 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.361 10.716 27.756 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.184 10.883 29.386 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.611 12.264 29.064 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.339 13.441 29.693 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.614 14.736 29.341 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.283 15.954 29.950 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.486 17.174 29.644 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.937 17.968 30.051 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.429 17.285 28.652 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.569 17.069 30.029 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.266 9.829 28.803 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.364 9.504 27.611 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.375 9.307 29.637 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.215 9.512 30.603 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.438 8.281 29.210 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.388 8.045 30.295 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.450 7.065 29.879 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.776 6.930 30.605 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.739 8.649 27.904 1.00 0.00 A0 C -ATOM 99 O SER A 10 27.151 9.720 27.786 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.816 7.756 26.925 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.274 6.868 26.891 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.168 8.002 25.651 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.893 8.992 24.768 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.363 9.395 23.741 1.00 0.00 A0 O -ATOM 105 N GLN A 12 29.106 9.379 25.151 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.648 9.116 25.949 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.860 10.334 24.361 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.932 11.677 25.104 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.545 12.268 25.341 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.572 13.709 25.842 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.602 14.368 25.811 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.421 14.200 26.292 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.717 13.493 26.226 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.561 15.148 26.578 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.244 9.834 23.990 1.00 0.00 A0 C -ATOM 116 O GLN A 12 32.105 10.608 23.562 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.445 8.531 24.148 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.830 7.826 24.500 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.714 7.917 23.790 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.856 8.063 24.783 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.716 8.697 25.828 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.988 7.455 24.441 1.00 0.00 A0 N -ATOM 123 H TYR A 14 35.169 6.914 23.620 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 36.193 7.492 25.260 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 36.652 6.077 25.619 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.730 5.364 26.567 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 34.564 4.767 26.112 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.714 4.116 26.977 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 36.022 5.295 27.925 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 35.176 4.646 28.803 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 34.024 4.055 28.323 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.194 3.381 29.186 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.569 3.439 30.111 0.00 0.00 A0 H -ATOM 134 C TYR A 14 37.282 8.158 24.454 1.00 0.00 A0 C -ATOM 135 O TYR A 14 37.476 7.828 23.285 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.008 9.086 25.071 1.00 0.00 A0 N -ATOM 137 H TYR A 15 37.972 9.432 26.009 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 39.065 9.782 24.349 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.690 11.258 24.120 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.430 12.058 25.388 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.480 12.622 26.117 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 39.233 13.363 27.275 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 37.134 12.250 25.852 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.880 12.984 27.013 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.933 13.535 27.715 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.672 14.239 28.869 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 36.684 14.257 29.023 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.401 9.702 25.056 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.469 9.483 26.267 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.457 9.875 24.271 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.475 10.043 23.285 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.819 9.842 24.769 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 43.615 8.657 24.183 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 43.775 8.819 22.671 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.980 8.567 24.856 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.481 11.134 24.334 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.128 11.714 23.300 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.448 11.586 25.122 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.822 11.207 25.969 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.145 12.813 24.808 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 45.749 13.408 26.081 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.496 14.697 25.844 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.000 15.318 27.134 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.167 15.762 27.955 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.228 15.359 27.326 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.236 12.575 23.783 1.00 0.00 A0 C -ATOM 167 O GLU A 17 46.950 11.570 23.837 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.356 13.495 22.836 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.823 14.326 22.675 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.388 13.388 21.813 1.00 0.00 A0 C -ATOM 171 CB MET A 18 46.818 12.770 20.520 1.00 0.00 A0 C -ATOM 172 CG MET A 18 46.233 11.358 20.682 1.00 0.00 A0 C -ATOM 173 SD MET A 18 45.659 10.629 19.107 1.00 0.00 A0 S -ATOM 174 CE MET A 18 47.155 10.102 18.390 1.00 0.00 A0 C -ATOM 175 C MET A 18 47.929 14.779 21.497 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.397 15.784 21.956 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.004 14.831 20.729 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.569 14.098 20.350 0.00 0.00 A0 H -ATOM 179 CA THR A 19 49.542 16.111 20.304 1.00 0.00 A0 C -ATOM 180 CB THR A 19 50.823 16.517 21.070 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 51.891 15.629 20.724 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.714 15.899 21.224 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.583 16.479 22.570 1.00 0.00 A0 C -ATOM 184 C THR A 19 49.886 15.933 18.841 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.288 14.843 18.413 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.701 16.997 18.070 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.350 17.904 18.303 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 50.020 16.964 16.655 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.737 16.895 15.779 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 47.920 15.659 16.141 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.900 18.135 15.984 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.799 18.223 16.289 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.549 19.295 16.838 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.758 18.082 15.382 1.00 0.00 A0 N -ATOM 195 H GLY A 21 52.082 17.267 14.902 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.529 19.229 14.939 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.686 19.677 15.815 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.932 19.132 16.897 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.395 20.694 15.328 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.254 21.185 14.468 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.543 21.268 16.020 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.847 20.790 15.369 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.775 19.422 14.992 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.643 19.154 14.574 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.458 22.790 15.898 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.466 23.331 14.789 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.345 23.498 17.032 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.349 24.970 17.071 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.278 22.941 18.388 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.362 24.181 19.276 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.738 25.251 18.418 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.998 22.136 18.626 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.965 22.386 18.006 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.060 21.156 19.537 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.289 20.790 20.264 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.952 20.266 19.909 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.537 19.460 21.071 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.987 19.372 20.708 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.644 20.950 20.296 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.610 21.779 21.201 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.570 20.602 19.593 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.498 19.974 18.818 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.249 21.141 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.535 21.574 18.604 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.081 22.867 17.983 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.227 16.677 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.159 23.306 16.615 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.175 23.450 15.626 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.129 23.331 15.902 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.606 23.678 14.836 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.493 19.999 20.564 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.393 18.908 20.008 1.00 0.00 A0 O -ATOM 233 N THR A 26 47.961 20.251 21.753 1.00 0.00 A0 N -ATOM 234 H THR A 26 47.957 21.103 22.277 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.253 19.225 22.510 1.00 0.00 A0 C -ATOM 236 CB THR A 26 47.363 19.489 24.025 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 48.740 19.464 24.408 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 48.808 19.636 25.391 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 46.597 18.424 24.820 1.00 0.00 A0 C -ATOM 240 C THR A 26 45.782 19.106 22.156 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.058 20.104 22.123 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.343 17.878 21.895 1.00 0.00 A0 N -ATOM 243 H LEU A 27 45.843 17.012 21.885 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 43.943 17.624 21.560 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 43.750 17.609 20.039 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.031 18.925 19.309 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 44.199 18.663 17.811 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 42.891 19.911 19.582 1.00 0.00 A0 C -ATOM 249 C LEU A 27 43.479 16.289 22.132 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.262 15.352 22.232 1.00 0.00 A0 O -ATOM 251 N ASN A 28 42.209 16.213 22.517 1.00 0.00 A0 N -ATOM 252 H ASN A 28 41.500 16.918 22.517 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 41.645 14.971 23.035 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 40.624 15.254 24.130 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 41.280 15.642 25.439 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 42.420 15.260 25.702 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 40.559 16.386 26.276 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 39.671 16.577 25.859 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 41.095 16.558 27.102 0.00 0.00 A0 H -ATOM 260 C ASN A 28 40.992 14.290 21.836 1.00 0.00 A0 C -ATOM 261 O ASN A 28 40.173 14.888 21.129 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.374 13.041 21.610 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.994 12.467 22.144 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.901 12.287 20.464 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 42.098 11.818 19.630 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 41.613 11.139 18.367 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 43.007 13.011 19.303 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 42.357 14.035 18.361 1.00 0.00 A0 C -ATOM 269 C ILE A 29 40.070 11.069 20.826 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.496 10.245 21.642 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.893 10.948 20.206 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.464 11.551 19.534 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.008 9.812 20.460 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.644 10.026 19.796 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.629 8.961 20.231 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.607 9.595 21.154 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.955 8.327 19.016 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.633 8.513 19.935 1.00 0.00 A0 C -ATOM 279 O LEU A 30 39.157 8.478 18.825 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.582 7.458 20.748 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.181 7.396 21.662 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.146 6.156 20.385 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.666 5.429 21.653 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 40.105 4.018 21.320 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 40.830 6.208 22.239 1.00 0.00 A0 C -ATOM 286 C VAL A 31 38.058 5.328 19.699 1.00 0.00 A0 C -ATOM 287 O VAL A 31 37.083 4.945 20.324 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.240 5.043 18.411 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.015 5.254 17.815 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.225 4.313 17.637 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.552 5.309 16.668 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.469 4.672 15.799 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.930 3.602 16.162 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.144 5.268 14.749 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.739 3.104 16.857 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.386 3.252 15.814 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.440 1.903 17.345 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.942 1.626 18.167 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.871 0.710 16.627 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.944 -0.541 17.553 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.639 -0.865 18.043 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.704 -1.669 18.635 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.890 -0.279 18.748 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.917 0.401 15.451 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.123 -0.562 14.715 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.878 1.216 15.283 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.587 2.017 15.806 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 34.942 1.000 14.185 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.198 1.821 12.914 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.842 12.011 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.337 2.509 12.835 1.00 0.00 A0 N -ATOM 312 H SER A 35 37.080 2.594 13.499 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.667 3.303 11.643 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.094 4.726 11.721 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.717 5.503 12.727 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.308 6.415 12.734 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.174 3.350 11.491 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.900 2.845 12.356 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.666 3.952 10.410 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.227 4.447 9.660 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.106 3.940 10.192 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.437 2.882 9.135 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.809 1.652 9.477 1.00 0.00 A0 O -ATOM 324 HG SER A 36 40.031 0.969 8.781 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.755 5.249 9.813 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.263 9.333 1.00 0.00 A0 O -ATOM 327 N ASN A 37 40.046 6.348 10.019 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.121 6.472 10.379 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.610 7.650 9.703 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.616 8.494 8.895 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.597 8.124 7.413 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.956 7.156 6.998 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.320 8.890 6.617 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.751 9.610 7.161 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.245 8.548 5.680 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.979 8.422 10.966 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.224 8.436 11.939 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.152 9.041 10.949 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.868 9.040 10.251 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.574 9.878 12.059 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.823 12.242 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.613 10.721 13.346 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.870 11.286 13.265 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.832 11.005 14.452 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.335 12.121 14.266 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.293 11.836 15.456 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.540 12.395 15.366 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.157 11.274 11.592 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.622 11.737 10.547 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.279 11.936 12.342 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.830 11.675 13.196 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.824 13.271 11.953 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.523 13.165 11.135 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.607 14.178 13.161 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.211 13.717 14.230 1.00 0.00 A0 O -ATOM 356 N VAL A 40 40.874 15.469 12.984 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.208 15.942 12.169 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.695 16.441 14.058 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.055 16.841 14.694 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.784 15.604 15.209 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 42.914 17.558 13.667 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.017 17.726 13.586 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.205 18.166 12.443 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.222 18.327 14.465 1.00 0.00 A0 N -ATOM 365 H GLY A 41 38.950 18.076 15.394 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.585 19.580 14.108 1.00 0.00 A0 C -ATOM 367 C GLY A 41 39.716 20.532 13.745 1.00 0.00 A0 C -ATOM 368 O GLY A 41 40.695 20.637 14.493 1.00 0.00 A0 O -ATOM 369 N ALA A 42 39.613 21.205 12.599 1.00 0.00 A0 N -ATOM 370 H ALA A 42 38.890 21.205 11.908 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 40.673 22.125 12.180 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 41.460 21.535 11.034 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.117 23.478 11.776 1.00 0.00 A0 C -ATOM 374 O ALA A 42 40.783 24.261 11.101 1.00 0.00 A0 O -ATOM 375 N ALA A 43 38.888 23.739 12.192 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.275 23.161 12.731 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.219 24.992 11.898 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.492 24.905 10.546 1.00 0.00 A0 C -ATOM 379 C ALA A 43 37.223 25.204 13.021 1.00 0.00 A0 C -ATOM 380 O ALA A 43 36.719 24.244 13.603 1.00 0.00 A0 O -ATOM 381 N PRO A 44 36.933 26.470 13.347 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 37.523 27.685 12.751 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 35.988 26.809 14.413 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 35.820 28.318 14.252 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 37.182 28.747 13.776 1.00 0.00 A0 C -ATOM 386 C PRO A 44 34.667 26.062 14.277 1.00 0.00 A0 C -ATOM 387 O PRO A 44 34.196 25.798 13.170 1.00 0.00 A0 O -ATOM 388 N HIS A 45 34.084 25.712 15.416 1.00 0.00 A0 N -ATOM 389 H HIS A 45 34.405 25.862 16.351 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 32.807 25.012 15.460 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 33.002 23.496 15.249 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 31.719 22.724 15.165 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 30.937 22.452 16.268 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 31.399 22.792 17.087 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 31.046 22.230 14.098 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 29.877 21.686 14.571 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 29.835 21.832 15.883 1.00 0.00 A0 C -ATOM 398 C HIS A 45 32.258 25.312 16.842 1.00 0.00 A0 C -ATOM 399 O HIS A 45 33.012 25.417 17.804 1.00 0.00 A0 O -ATOM 400 N SER A 46P 56.615 -1.034 29.957 1.00 0.00 A0 N -ATOM 401 H SER A 46P 57.241 -1.621 30.471 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 56.137 0.070 30.850 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 57.078 1.274 30.777 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 56.561 2.346 31.548 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 57.188 3.122 31.488 0.00 0.00 A0 H -ATOM 406 C SER A 46P 54.726 0.520 30.490 1.00 0.00 A0 C -ATOM 407 O SER A 46P 54.495 1.682 30.130 1.00 0.00 A0 O -ATOM 408 N PRO A 46 30.937 25.479 16.954 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 29.983 25.385 15.835 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 30.240 25.782 18.207 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 28.769 25.711 17.807 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 28.792 26.130 16.374 1.00 0.00 A1 C -ATOM 413 C PRO A 46 30.549 24.858 19.387 1.00 0.00 A1 C -ATOM 414 O PRO A 46 30.561 25.297 20.539 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 53.778 -0.399 30.614 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 53.836 -1.354 30.905 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 52.401 -0.085 30.298 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 51.617 -1.369 30.023 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 52.198 -2.215 28.931 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 52.629 -1.643 27.748 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 52.282 -3.586 29.074 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 53.130 -2.426 26.725 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 52.781 -4.369 28.054 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 53.203 -3.788 26.881 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 51.724 0.693 31.420 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 50.654 1.271 31.215 1.00 0.00 A1 O -ATOM 427 N PHE A 47 30.800 23.585 19.106 1.00 0.00 A2 N -ATOM 428 H PHE A 47 31.652 24.051 18.868 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 31.065 22.626 20.173 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 30.339 21.312 19.869 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 28.853 21.466 19.679 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 28.121 20.487 19.027 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 28.189 22.583 20.157 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 26.754 20.619 18.851 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 26.823 22.722 19.986 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 26.102 21.738 19.331 1.00 0.00 A2 C -ATOM 437 C PHE A 47 32.545 22.343 20.424 1.00 0.00 A2 C -ATOM 438 O PHE A 47 32.882 21.538 21.293 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 52.335 0.716 32.606 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 52.963 0.029 32.973 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 51.716 1.429 33.710 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 52.551 1.335 35.028 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 53.839 2.175 34.929 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 51.694 1.793 36.190 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 51.492 2.893 33.348 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 50.554 3.515 33.833 1.00 0.00 A2 O -ATOM 447 N LEU A 48 33.429 22.999 19.677 1.00 0.00 A3 N -ATOM 448 H LEU A 48 33.252 23.983 19.641 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 34.861 22.780 19.838 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.549 22.769 18.465 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 35.291 21.524 17.608 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 36.031 21.612 16.276 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.753 20.301 18.381 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.550 23.789 20.758 1.00 0.00 A3 C -ATOM 455 O LEU A 48 35.536 24.996 20.504 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.157 23.278 21.826 1.00 0.00 A3 N -ATOM 457 H HIS A 49 36.217 22.321 22.111 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 36.868 24.108 22.794 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.130 23.315 24.077 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 35.886 22.929 24.815 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.873 21.959 25.796 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.795 21.585 25.897 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.616 23.393 24.727 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.867 22.701 25.649 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.649 21.842 26.280 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.196 24.550 22.202 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.804 25.514 22.663 1.00 0.00 A3 O -ATOM 468 N ARG A 50 38.643 23.823 21.185 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.218 23.026 20.756 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 39.902 24.109 20.511 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.080 23.755 21.421 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 40.974 22.371 22.053 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.146 22.063 22.997 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.011 20.735 23.598 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.265 20.088 23.438 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 42.876 20.196 24.454 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 43.960 20.867 24.827 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.485 20.307 25.468 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 43.966 21.756 24.369 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.660 18.976 24.936 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.405 18.735 25.558 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.809 18.619 24.550 0.00 0.00 A3 H -ATOM 483 C ARG A 50 39.967 23.278 19.239 1.00 0.00 A3 C -ATOM 484 O ARG A 50 39.088 22.458 18.979 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.000 23.499 18.441 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.759 24.144 18.531 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 41.163 22.746 17.209 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 40.162 23.208 16.134 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 40.242 24.662 15.717 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.169 25.089 14.772 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.214 26.413 14.365 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 39.365 25.603 16.250 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 39.404 26.928 15.854 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.327 27.327 14.910 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.358 28.645 14.509 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.653 29.153 15.004 0.00 0.00 A3 H -ATOM 497 C TYR A 51 42.581 22.822 16.691 1.00 0.00 A3 C -ATOM 498 O TYR A 51 43.408 23.571 17.212 1.00 0.00 A3 O -ATOM 499 N TYR A 52 42.851 22.016 15.670 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.225 21.389 15.207 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.161 21.923 15.046 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.216 20.608 14.269 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.449 20.347 13.442 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.722 20.609 13.931 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.244 13.212 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.341 19.723 12.209 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.452 19.353 11.490 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.703 19.611 11.995 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.800 19.201 11.279 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.492 18.767 10.432 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.410 23.115 14.129 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.611 23.389 13.231 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.514 23.823 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.208 23.679 15.076 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.882 24.997 13.572 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.160 26.188 14.486 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.939 26.681 15.230 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.289 27.680 16.317 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.969 27.345 17.291 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.828 28.915 16.157 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.307 28.960 15.305 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.123 29.476 16.931 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.115 24.682 12.745 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.243 24.816 13.214 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.886 24.255 11.509 1.00 0.00 A3 N -ATOM 526 H ARG A 54 46.008 24.135 11.047 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.960 23.877 10.595 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.361 23.451 9.254 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.645 22.103 9.289 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.733 21.939 8.082 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.535 22.764 8.216 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.274 23.313 9.010 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.608 22.897 7.274 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.744 22.257 6.122 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 42.962 22.470 5.537 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.593 21.729 6.141 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.542 23.664 7.485 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.960 23.643 6.672 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.603 24.061 8.401 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.023 24.946 10.356 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.208 24.630 10.224 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.603 26.205 10.303 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.682 26.578 10.415 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.532 27.301 10.050 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.762 28.622 9.897 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.094 29.118 11.180 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.635 28.708 11.299 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.287 27.533 11.180 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.773 29.687 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.271 30.552 11.601 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.852 29.302 11.607 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.595 27.450 11.144 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.674 27.991 10.897 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.292 26.963 12.344 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.464 26.494 12.651 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.221 27.066 13.461 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.447 27.259 14.766 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.470 28.434 14.782 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.877 28.592 16.172 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.200 29.706 14.368 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.145 25.860 13.596 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.925 25.772 14.545 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.067 24.930 12.653 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.493 24.876 11.836 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.914 23.744 12.718 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.069 22.473 12.669 1.00 0.00 A3 C -ATOM 567 OG SER A 57 52.907 21.333 12.614 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.338 20.512 12.582 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.936 23.707 11.598 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.580 23.598 10.423 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.209 23.771 11.972 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.596 23.830 12.892 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.293 23.763 11.001 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.617 24.151 11.679 1.00 0.00 A3 C -ATOM 575 OG SER A 58 58.012 23.190 12.645 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.874 23.481 13.060 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.466 22.427 10.296 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.139 22.351 9.269 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.866 21.373 10.838 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.293 21.306 11.655 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.991 20.047 10.234 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.308 18.982 11.309 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.592 19.286 12.512 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.803 18.592 13.201 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.805 18.955 11.611 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.758 19.621 9.442 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.725 18.539 8.851 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.738 20.470 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.629 21.358 9.878 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.524 20.165 8.678 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.474 21.257 8.880 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.372 21.198 7.849 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.461 20.150 7.836 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.488 20.064 6.864 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.271 22.163 6.855 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.301 22.082 5.881 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.414 21.032 5.890 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.447 20.955 4.920 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.543 21.735 4.302 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.819 20.053 7.184 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.594 20.837 6.642 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.202 19.082 6.520 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.573 18.380 6.853 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.389 18.909 5.083 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.294 17.714 4.790 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.725 17.865 5.272 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.532 16.637 4.891 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.895 16.682 5.410 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.368 17.478 5.788 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.712 15.634 5.448 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.305 14.454 4.998 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 58.046 13.791 5.105 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.364 14.538 4.670 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.936 15.764 5.937 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.402 14.881 5.886 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.071 16.711 6.228 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.037 18.685 4.420 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.372 17.683 4.681 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.631 19.619 3.565 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.085 20.465 3.285 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.349 19.511 2.865 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.004 20.859 2.214 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.662 20.848 1.489 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.837 19.944 1.740 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.431 21.765 0.669 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.419 18.415 1.807 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.356 18.373 1.023 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.440 17.515 1.792 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.635 17.418 2.378 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.437 16.447 0.801 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.854 15.156 1.388 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.808 14.333 2.266 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.077 13.112 2.823 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.019 13.891 1.437 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.653 16.863 -0.442 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.539 16.102 -1.397 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.110 18.074 -0.415 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.125 18.759 0.314 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.356 18.603 -1.550 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.313 18.929 -2.702 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.636 19.527 -2.253 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.379 20.183 -3.410 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.761 21.453 -3.776 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.320 21.683 -4.644 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.704 22.508 -2.969 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.233 22.440 -1.751 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.100 23.317 -1.289 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.626 21.530 -1.617 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.116 23.628 -3.374 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.169 24.307 -2.641 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.775 23.498 -4.305 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.297 17.613 -2.025 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.184 17.320 -3.216 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.520 17.102 -1.080 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.522 17.277 -0.095 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.476 16.139 -1.387 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.080 14.733 -1.428 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.182 13.688 -2.029 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.936 12.386 -2.264 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.997 11.322 -2.823 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.645 9.986 -3.006 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.971 9.345 -3.373 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.410 10.080 -3.644 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.977 9.661 -2.120 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.387 16.237 -0.319 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.680 16.395 0.878 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.134 16.170 -0.761 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.783 16.059 -1.691 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 40.016 16.260 0.159 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.617 14.907 0.722 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.095 13.865 0.270 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.745 14.920 1.722 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.302 15.688 2.184 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.286 13.675 2.325 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.339 13.122 3.344 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.557 14.135 4.464 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 38.866 11.777 3.933 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.984 13.917 3.060 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.724 15.022 3.543 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.152 12.885 3.132 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.236 11.971 2.735 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.901 12.968 3.866 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.750 13.464 2.966 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.287 12.485 1.905 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.260 11.586 2.158 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.834 10.689 1.181 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.880 12.463 0.651 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.466 11.574 -0.326 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.444 10.690 -0.057 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.041 9.799 -1.030 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.590 9.945 -1.853 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.606 11.577 4.415 1.00 0.00 A3 C -ATOM 693 O TYR A 68 35.010 10.571 3.832 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.937 11.519 5.559 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.588 12.245 6.152 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.601 10.229 6.141 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.549 9.847 7.333 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.069 8.537 7.975 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 35.992 9.663 6.842 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.176 10.230 6.649 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.815 11.039 7.504 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.330 9.347 6.093 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.538 8.727 4.773 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.931 9.227 6.501 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.207 8.998 5.172 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.160 8.133 4.443 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.832 8.012 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.074 6.887 7.014 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.519 8.244 8.714 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.340 9.110 9.180 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.388 7.150 9.676 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.795 7.630 11.085 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.232 8.115 11.190 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.275 7.232 11.421 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.586 7.676 11.491 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.541 9.457 11.029 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.837 9.904 11.089 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.856 9.019 11.319 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.149 9.492 11.359 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.138 10.481 11.215 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.921 6.721 9.684 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.113 7.261 8.939 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.570 5.761 10.531 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.119 5.227 11.174 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.180 5.333 10.624 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.027 4.206 11.652 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.718 3.050 11.160 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.625 2.308 11.824 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.541 3.864 11.872 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.359 6.553 11.030 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.242 6.757 10.565 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.926 7.368 11.907 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.800 7.283 12.385 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.279 8.607 12.319 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.594 8.467 13.679 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.321 7.630 13.664 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.827 7.287 15.064 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.796 8.142 15.946 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.428 6.031 15.270 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.539 5.511 14.423 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.122 5.938 16.218 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.404 9.621 12.406 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.391 9.395 13.106 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.264 10.719 11.669 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.524 10.991 11.054 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.279 11.758 11.675 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.261 11.647 10.526 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.483 10.565 9.985 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.861 12.771 10.148 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.762 13.700 10.504 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.830 12.780 9.062 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.105 12.606 7.715 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 28.013 13.641 7.478 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.239 13.363 6.189 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.955 14.174 6.160 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.114 13.822 4.991 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.282 14.376 5.010 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.628 14.006 4.153 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.878 12.851 5.040 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.603 14.091 9.066 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.168 15.071 9.654 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.757 14.098 8.419 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.222 13.357 7.934 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.566 15.306 8.328 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.565 15.432 9.511 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.451 14.217 9.762 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.615 13.816 9.016 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.078 12.607 9.579 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.307 14.358 7.926 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.270 13.261 10.723 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.242 12.292 10.620 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.092 11.604 11.330 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.190 11.927 9.087 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.417 13.681 7.437 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.847 12.478 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.335 15.284 7.024 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.437 14.255 6.358 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.885 16.430 6.658 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.867 17.334 7.086 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.669 16.499 5.446 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.818 17.057 4.291 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.538 18.547 4.382 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.623 19.051 3.258 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.625 20.268 2.992 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.884 18.242 2.655 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.839 17.414 5.754 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.750 18.266 6.637 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.944 17.226 5.048 1.00 0.00 A3 N -ATOM 789 H GLY A 78 37.171 16.569 4.329 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.086 18.076 5.286 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.204 17.911 4.283 1.00 0.00 A3 C -ATOM 792 O GLY A 78 38.998 17.445 3.164 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.405 18.285 4.708 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.667 18.637 5.606 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.584 18.227 3.860 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.125 19.652 3.693 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.436 19.790 2.920 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.319 19.430 1.441 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.215 19.581 0.859 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.349 19.014 0.863 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.652 17.314 4.447 1.00 0.00 A3 C -ATOM 802 O GLU A 79 42.948 17.388 5.633 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.224 16.450 3.611 1.00 0.00 A3 N -ATOM 804 H LEU A 80 43.042 16.308 2.638 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.272 15.526 4.038 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.350 14.324 3.098 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.163 13.375 3.183 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.195 12.427 2.020 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.207 12.629 4.521 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.646 16.184 4.092 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.929 17.142 3.365 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.492 15.644 4.963 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.347 14.872 5.583 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.839 16.144 5.140 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.538 15.239 6.133 1.00 0.00 A3 C -ATOM 816 O GLY A 81 47.972 14.224 6.560 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.767 15.586 6.501 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.329 16.361 6.211 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.515 14.794 7.471 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.622 13.955 6.800 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.616 14.824 6.236 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.327 14.269 5.805 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.038 13.075 5.708 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.169 15.708 8.496 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.346 16.910 8.259 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.511 15.142 9.645 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.384 14.200 9.956 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.177 15.900 10.691 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.216 16.889 11.356 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.926 18.152 11.843 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.118 18.057 12.211 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.297 19.236 11.872 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.718 14.920 11.722 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.447 13.712 11.651 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.494 15.438 12.668 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.785 16.385 12.804 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.065 14.613 13.715 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.334 15.266 14.277 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.440 15.441 13.229 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.688 16.026 13.890 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.758 14.094 12.581 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.016 14.462 14.798 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.345 15.425 15.164 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.872 13.247 15.302 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.364 12.403 15.089 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.881 12.970 16.328 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.690 12.169 15.740 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.617 11.976 16.801 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.124 12.894 14.524 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.489 12.158 17.462 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.334 11.293 17.233 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.055 12.446 18.682 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.393 13.139 18.968 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.527 11.730 19.854 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.651 12.504 20.555 1.00 0.00 A3 C -ATOM 856 OG SER A 86 54.786 12.641 19.714 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.495 13.149 20.204 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.374 11.552 20.830 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.394 12.306 20.808 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.500 10.546 21.683 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.239 9.877 21.761 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 50.499 10.265 22.695 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 49.978 8.824 22.548 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 48.931 8.528 23.622 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 49.403 8.638 21.139 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 48.861 7.251 20.868 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.237 10.433 24.023 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.058 9.598 24.384 1.00 0.00 A3 O -ATOM 869 N PRO A 88 50.961 11.522 24.759 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 49.972 12.578 24.490 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 51.638 11.757 26.042 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 50.892 12.960 26.611 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.465 13.698 25.379 1.00 0.00 A3 C -ATOM 874 C PRO A 88 51.599 10.545 26.973 1.00 0.00 A3 C -ATOM 875 O PRO A 88 52.635 10.111 27.484 1.00 0.00 A3 O -ATOM 876 N HIS A 89 50.407 9.997 27.185 1.00 0.00 A3 N -ATOM 877 H HIS A 89 49.510 10.261 26.831 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.254 8.830 28.045 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 48.997 8.967 28.889 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 48.979 10.211 29.713 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.884 10.443 30.727 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.472 9.641 30.829 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.213 11.324 29.629 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.669 12.202 30.581 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.677 11.647 31.230 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.189 7.575 27.194 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.233 6.806 27.259 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.224 7.389 26.387 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.040 7.952 26.256 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.302 6.238 25.516 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.759 5.958 25.234 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.631 6.382 25.995 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.062 5.256 24.138 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.139 4.767 23.104 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.449 4.940 23.794 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.323 4.288 22.416 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.966 3.686 22.447 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.289 6.212 23.751 1.00 0.00 A3 C -ATOM 899 O PRO A 91 54.783 7.289 23.426 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.568 6.085 24.075 1.00 0.00 A3 N -ATOM 901 H ASN A 92 57.082 5.273 24.352 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.463 7.230 24.064 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.588 7.022 25.081 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.555 8.186 25.125 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.157 9.333 25.346 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.838 7.899 24.914 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 60.930 6.916 24.757 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.373 8.742 24.968 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.045 7.429 22.671 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.259 7.403 22.485 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.169 7.622 21.690 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.170 7.655 21.726 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.601 7.828 20.315 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.482 6.526 19.469 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.473 5.479 19.957 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.067 5.981 19.552 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.783 8.911 19.616 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.745 9.352 20.106 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.282 9.339 18.465 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.131 9.057 18.017 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.624 10.338 17.644 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.409 11.659 17.623 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.341 12.272 18.916 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.853 13.131 18.897 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.827 12.611 16.585 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.607 9.744 16.246 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.558 9.079 15.845 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.528 9.959 15.507 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.688 10.466 15.702 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.447 9.406 14.161 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.696 8.054 14.158 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.409 7.058 15.074 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.263 8.256 14.599 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.737 10.343 13.200 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.887 11.136 13.610 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.103 10.271 11.925 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.796 9.714 11.466 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.441 11.109 10.940 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.354 11.429 9.754 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.652 12.260 8.666 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.640 12.935 7.728 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.354 14.025 8.387 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.273 13.979 8.778 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.870 15.254 8.561 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.660 15.576 8.119 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.476 16.533 8.342 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.250 14.776 7.680 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.597 16.165 9.193 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.083 17.022 9.232 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.468 15.756 9.464 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.237 10.315 10.467 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.374 9.222 9.913 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.054 10.863 10.699 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.817 11.732 11.132 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.836 10.184 10.305 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.089 9.719 11.549 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.920 11.051 9.459 1.00 0.00 A3 C -ATOM 958 O ALA A 97 50.028 12.286 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 49.013 10.384 8.760 1.00 0.00 A3 N -ATOM 960 H ASN A 98 48.868 9.397 8.684 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 48.033 11.067 7.948 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.307 10.077 7.036 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.186 9.571 5.924 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.865 10.355 5.266 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.175 8.265 5.698 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.555 7.827 6.349 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.789 8.061 4.936 0.00 0.00 A3 H -ATOM 968 C ASN A 98 47.038 11.686 8.908 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.691 11.091 9.939 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.584 12.881 8.570 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.803 13.452 7.778 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.617 13.571 9.395 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.267 14.606 10.316 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.188 15.230 11.199 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.353 13.949 11.162 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 47.980 14.887 12.181 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.632 14.322 8.529 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.018 15.062 7.618 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.356 14.139 8.827 1.00 0.00 A3 N -ATOM 980 H ALA A 100 42.934 13.566 9.530 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.318 14.820 8.090 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.134 13.889 7.881 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.906 16.042 8.900 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.398 15.915 10.009 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.158 17.229 8.361 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.604 17.464 7.497 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.770 18.454 9.042 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.606 19.630 8.534 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.295 18.682 8.742 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.928 19.001 7.608 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.447 18.515 9.753 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.639 18.271 10.703 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 38.007 18.682 9.587 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.247 18.093 10.788 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.758 18.369 10.652 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.504 16.589 10.875 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.831 15.935 12.072 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.590 20.142 9.416 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.788 20.965 10.311 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.005 20.460 8.263 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.787 19.886 7.474 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.569 21.828 7.991 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.993 22.276 6.581 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.553 21.306 5.630 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.829 21.599 4.715 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.506 22.421 6.492 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.058 21.992 8.126 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.577 23.072 8.445 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.312 20.924 7.864 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.595 20.012 7.566 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.856 20.953 7.990 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.164 21.164 6.627 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.310 22.562 6.030 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.293 22.845 4.912 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.462 23.866 4.210 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.322 22.068 4.736 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.396 19.628 8.568 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.949 18.579 8.260 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.365 19.670 9.392 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.808 20.436 9.715 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.873 18.443 9.990 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.599 18.182 11.315 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.285 19.195 12.259 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.768 19.005 13.114 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.386 18.585 10.225 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.861 19.695 10.298 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.717 17.452 10.362 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.062 16.513 10.349 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.279 17.425 10.565 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.615 17.104 9.222 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.103 17.054 9.299 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.479 16.711 8.273 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.535 17.350 10.371 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.940 16.345 11.603 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.134 15.159 11.349 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.440 16.766 12.760 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.255 17.704 13.053 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.066 15.848 13.836 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.810 15.067 13.431 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.562 15.959 13.288 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.301 15.142 12.989 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.296 14.572 11.572 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.124 15.624 10.519 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.129 15.188 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.253 16.092 10.666 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.878 16.278 10.586 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.203 14.886 14.216 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.973 13.711 14.488 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.428 15.404 14.216 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.709 16.338 13.996 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.612 14.621 14.563 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.723 14.861 13.536 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.982 14.092 13.814 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 32.009 12.710 13.691 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.132 14.750 14.228 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 33.161 11.996 13.975 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.287 14.043 14.516 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.302 12.664 14.389 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.079 15.038 15.963 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.006 14.252 16.917 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.540 16.278 16.090 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.650 16.995 15.402 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.986 16.789 17.385 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.667 18.146 17.220 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.901 18.094 16.381 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.962 18.767 15.170 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.997 17.340 16.786 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 34.092 18.690 14.374 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 35.131 17.255 15.998 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 35.182 17.932 14.787 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.790 16.903 18.323 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.668 17.178 17.889 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 30.037 16.680 19.610 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.908 16.463 20.051 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.991 16.726 20.623 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.983 15.418 21.439 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.877 15.460 22.503 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.796 14.229 20.490 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.845 12.886 21.177 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 29.172 17.899 21.584 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 30.259 18.120 22.110 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 28.096 18.639 21.823 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.166 18.545 21.469 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.149 19.789 22.718 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.738 20.340 22.934 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.735 21.818 23.294 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.760 22.384 23.700 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.575 22.452 23.150 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.891 21.806 22.812 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.691 23.409 23.417 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.763 19.430 24.081 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.213 18.615 24.815 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 20.035 24.393 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.446 20.683 23.854 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.579 19.808 25.667 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.105 18.414 25.952 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 31.096 17.981 27.105 1.00 0.00 A3 O -ATOM 1098 N SER A 113 31.591 17.718 24.926 1.00 0.00 A3 N -ATOM 1099 H SER A 113 31.682 17.982 23.966 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.099 16.355 25.096 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.090 15.631 23.760 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 33.077 16.209 22.934 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 33.079 15.739 22.051 0.00 0.00 A3 H -ATOM 1104 C SER A 113 33.521 16.294 25.653 1.00 0.00 A3 C -ATOM 1105 O SER A 113 33.868 15.361 26.389 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 34.333 17.268 25.257 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 34.106 18.028 24.648 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 35.733 17.385 25.664 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 35.965 16.808 27.065 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.162 17.432 27.758 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 37.621 16.949 28.797 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 37.671 18.523 27.191 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.148 18.735 26.365 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.443 18.845 27.739 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 36.731 16.765 24.676 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 37.938 16.773 24.926 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 36.245 16.198 23.571 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 35.305 16.045 23.265 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 37.166 15.673 22.561 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 36.969 14.170 22.272 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.575 13.701 21.989 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 34.907 13.692 20.715 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.650 13.084 20.908 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.253 14.134 19.434 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.715 13.125 22.873 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.558 12.746 22.234 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.944 12.320 22.898 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.732 12.910 19.868 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.337 13.958 18.397 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.093 13.351 18.624 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.013 16.493 21.287 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 35.930 17.008 20.997 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.100 16.618 20.533 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.011 16.224 20.658 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.093 17.419 19.321 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 39.039 18.611 19.501 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.668 19.494 20.674 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.210 18.980 21.996 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 38.477 19.071 22.999 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.365 18.497 22.037 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 38.481 16.672 18.056 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 38.637 17.285 16.996 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.645 15.358 18.162 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 38.555 14.748 18.949 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 39.020 14.574 16.997 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.709 13.098 17.165 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 38.110 12.693 18.168 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 39.124 12.288 16.194 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.628 12.494 15.355 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.863 10.860 16.250 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.552 10.502 15.477 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.647 10.966 14.022 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.281 9.002 15.562 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.875 8.597 15.089 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 40.032 10.061 15.702 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.679 10.468 14.736 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.325 8.940 16.359 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.885 8.557 17.171 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.410 8.059 15.947 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.377 7.819 17.117 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.561 6.872 16.899 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.483 7.443 15.835 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.321 6.685 18.213 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.798 6.734 15.502 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.380 5.928 16.335 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.711 6.518 14.192 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 40.974 7.085 13.411 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.148 5.266 13.701 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.226 4.211 13.837 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.296 4.354 13.248 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 40.961 3.163 14.615 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.129 2.947 15.126 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 41.943 2.105 14.836 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.947 1.714 16.327 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.456 2.826 17.263 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.102 2.526 18.715 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.966 2.963 17.082 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.764 0.851 13.979 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.531 -0.112 14.115 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.766 0.855 13.095 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.081 1.552 12.882 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.545 -0.305 12.241 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.087 -0.378 11.800 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.493 -0.285 11.042 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.355 0.583 10.950 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.327 -1.231 10.122 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.631 -1.946 10.058 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.234 -1.347 8.982 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.298 -2.798 8.518 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.629 -3.770 9.619 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.622 -4.348 10.374 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.906 -5.284 11.348 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.947 -4.144 9.877 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.243 -5.086 10.859 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.214 -5.653 11.584 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.470 -6.616 12.533 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.457 -6.769 12.584 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.020 -0.461 7.758 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.940 0.100 7.527 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.081 -0.373 6.969 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.966 -0.825 7.080 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.112 0.439 5.761 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.438 0.209 5.019 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.949 0.199 4.809 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.497 1.123 4.139 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.457 -1.031 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.710 -1.856 5.261 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.365 -1.347 3.848 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 39.960 -2.812 4.026 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.067 -3.342 2.935 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.053 -4.863 2.890 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.236 -5.425 2.133 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.866 -5.498 3.604 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.141 -0.434 3.972 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.422 -0.231 2.991 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.881 0.124 5.154 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.338 0.067 6.042 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.725 1.004 5.271 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.766 0.554 6.400 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.149 -0.792 6.034 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.508 0.452 7.735 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.599 -0.019 8.894 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.083 2.477 5.463 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.244 3.292 5.854 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.332 2.818 5.187 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 40.106 2.261 4.887 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.763 4.204 5.304 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.288 4.273 5.319 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.222 4.998 4.107 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.036 4.439 3.028 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.953 6.285 4.313 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.017 6.812 5.161 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.491 7.166 3.238 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.284 8.010 3.679 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 35.997 7.245 3.928 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.677 6.332 2.762 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.371 5.687 2.890 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.169 4.848 3.396 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.249 6.141 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.260 7.250 1.612 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.334 7.432 1.282 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.192 7.613 1.586 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.114 5.474 2.497 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.382 5.957 2.017 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.289 4.663 3.056 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.670 8.098 2.923 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.446 8.460 3.826 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.802 8.534 1.653 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.858 9.475 1.233 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.905 8.220 0.533 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.310 9.239 -0.531 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.766 9.418 -0.286 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.998 6.786 0.044 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 38.055 6.268 -0.551 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.138 6.152 0.281 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.970 6.491 0.721 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.338 4.761 -0.103 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.644 4.635 -1.608 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.860 5.435 -2.040 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.948 5.241 -1.462 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.725 6.254 -2.973 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.456 4.142 0.742 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 42.108 4.841 1.526 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.674 2.839 0.576 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.227 2.206 -0.056 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.669 2.111 1.353 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.523 0.606 1.130 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.959 0.174 -0.257 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.617 0.971 -0.961 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.653 -0.972 -0.642 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.130 2.481 1.168 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.002 1.807 1.719 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.414 3.523 0.392 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.824 4.136 -0.134 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.800 3.927 0.209 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.023 4.516 -1.193 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.254 5.684 -1.393 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.427 6.034 -2.313 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.170 4.946 1.293 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.331 5.331 1.435 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.182 5.383 2.068 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.201 5.187 2.073 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.482 6.324 3.135 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.304 7.267 3.399 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.400 4.371 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.509 9.442 3.647 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.393 9.031 4.922 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.781 5.483 4.376 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.872 5.003 5.062 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.065 5.298 4.647 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.862 5.646 4.153 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.520 4.504 5.785 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.049 4.489 5.794 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.673 3.678 6.910 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.178 3.593 6.769 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.657 2.663 6.087 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.880 4.465 7.325 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 46.980 4.998 7.134 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.166 6.154 7.510 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.278 4.121 7.868 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.856 2.769 7.459 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.713 4.477 9.175 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.884 3.247 9.543 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.555 2.626 8.194 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.814 4.760 10.209 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.936 4.292 10.070 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.479 5.507 11.254 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.597 5.918 11.485 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.449 5.851 12.290 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.774 6.617 13.435 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.702 6.920 14.585 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.601 7.973 14.512 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.715 6.113 15.712 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.502 8.217 15.541 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.348 16.746 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.507 7.402 16.659 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.195 4.657 12.884 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.422 4.668 12.956 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.471 3.623 13.304 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.489 3.438 13.283 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.152 2.498 13.927 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.166 1.468 14.479 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.731 0.667 15.609 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.869 1.232 16.874 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.186 -0.625 15.403 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.455 0.515 17.913 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.776 -1.348 16.435 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.911 -0.784 17.684 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.144 1.813 13.006 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.195 1.363 13.454 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.810 1.721 11.724 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.984 2.017 11.245 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.108 10.768 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.044 0.991 9.393 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.911 -0.023 9.383 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.167 -1.194 9.028 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.769 0.346 9.747 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 50.999 1.944 10.657 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.086 1.390 10.557 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.877 3.272 10.674 1.00 0.00 A3 N -ATOM 1341 H SER A 139 50.066 3.853 10.741 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.068 4.123 10.585 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.679 5.600 10.452 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.874 5.819 9.303 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.641 6.790 9.249 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.929 3.940 11.841 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.156 3.852 11.761 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.268 3.875 12.995 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.282 3.925 13.155 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.949 3.709 14.273 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.929 3.642 15.409 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.541 3.370 16.786 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.352 4.580 17.211 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.444 3.068 17.808 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.805 2.447 14.295 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 54.982 2.485 14.649 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.197 1.327 13.928 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.249 1.188 13.641 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.893 0.052 13.894 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.912 -1.095 13.570 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.680 -2.372 13.258 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.977 -1.322 14.761 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.015 0.059 12.856 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.099 -0.481 13.087 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.766 0.687 11.716 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.955 1.184 11.407 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.771 0.722 10.667 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.133 1.180 9.354 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.713 0.501 8.126 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 54.947 0.869 6.862 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.569 0.204 5.637 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.908 0.618 4.362 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.355 0.153 3.598 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.942 0.363 4.398 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.995 1.609 4.257 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 56.970 1.613 11.009 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.108 1.271 10.685 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.717 2.736 11.678 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.838 3.075 12.012 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.767 3.694 12.040 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.188 5.119 12.016 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.822 5.603 10.614 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.014 6.896 10.604 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.336 7.853 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 54.961 6.928 9.791 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.886 6.049 9.321 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.521 7.823 9.864 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.486 3.471 13.381 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.516 4.096 13.640 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.958 2.596 14.230 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.145 2.021 14.143 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.580 2.349 15.536 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.778 3.041 16.662 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.546 2.346 16.875 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.037 2.802 17.605 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.460 4.473 16.272 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.681 0.857 15.850 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.430 0.019 14.991 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.059 0.524 17.079 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.309 1.099 17.858 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.163 -0.879 17.470 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.459 -1.111 18.255 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.214 17.387 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.938 -0.873 17.826 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 62.878 -0.551 18.771 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.825 -1.641 16.109 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.163 -1.549 15.804 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.812 -1.083 16.857 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.952 -1.322 18.289 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.929 -2.415 18.856 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.942 -0.463 18.347 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 56.858 0.448 17.943 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.722 -0.772 19.073 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.721 0.393 18.949 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.353 -0.027 19.456 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.243 1.596 19.725 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.104 -2.038 18.478 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.872 -2.106 17.277 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.854 -3.065 19.310 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.177 -3.167 20.743 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.260 -4.316 18.813 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.149 -5.178 20.070 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.276 -4.668 20.931 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.893 -4.047 18.166 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.192 -3.099 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.528 -4.897 17.211 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.007 -5.709 16.878 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.286 -4.742 16.469 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.427 -5.406 15.090 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.270 -5.069 14.148 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.620 -4.018 14.281 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.022 -5.957 13.177 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.663 -6.720 13.262 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.261 -5.626 12.620 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.036 -5.242 17.175 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.427 -6.233 16.769 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.667 -4.547 18.247 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.119 -3.766 18.678 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.459 -4.863 18.989 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.549 -6.234 19.666 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.370 -6.421 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 49.006 -7.769 21.570 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.856 -6.349 20.612 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.204 -3.804 20.037 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.108 -3.072 20.423 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.957 -3.699 20.465 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.138 -4.193 20.174 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.597 -2.763 21.510 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.223 -1.371 20.947 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.022 -1.366 20.027 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.170 -1.586 18.664 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.746 -1.142 20.530 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.067 -1.583 17.813 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.639 -1.138 19.686 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.804 -1.360 18.326 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.430 -3.388 22.249 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.780 -4.312 21.745 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.187 -2.916 23.462 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.661 -2.206 23.983 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 44.092 -3.429 24.253 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.609 -4.365 25.369 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.793 -3.877 25.974 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 46.083 -4.517 26.685 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.299 -2.270 24.830 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.831 -1.175 25.050 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 42.018 -2.508 25.052 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.492 -3.346 24.905 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 41.141 -1.488 25.584 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 40.113 -1.042 24.529 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.671 -0.186 23.387 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.571 0.047 22.326 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 41.175 1.152 23.950 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.407 -1.973 26.809 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.765 -3.028 26.794 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.527 -1.188 27.873 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.067 -0.351 27.966 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.846 -1.455 29.130 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.828 -1.463 30.308 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 40.116 -1.542 31.658 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.975 -1.062 32.827 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.662 -0.037 32.737 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.924 -1.796 33.935 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.311 -2.572 33.784 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.512 -1.380 34.629 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.910 -0.264 29.278 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.330 0.792 29.747 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.661 -0.427 28.855 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.232 -1.233 28.448 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.678 0.641 28.939 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.751 0.607 27.711 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.458 0.729 26.360 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.401 0.893 25.250 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.407 1.933 26.372 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.872 0.440 30.207 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.286 -0.621 30.415 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.832 1.462 31.053 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.227 2.379 30.991 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.120 1.338 32.316 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.075 1.682 33.464 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.609 0.688 33.483 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.861 2.202 32.394 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.800 3.293 31.829 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.854 1.699 33.095 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.775 0.831 33.585 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.614 2.440 33.243 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.740 3.476 34.345 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.805 4.078 34.521 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.658 3.682 35.089 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.758 3.251 35.025 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.647 4.646 36.187 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.218 5.088 36.476 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.274 4.042 37.443 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.330 4.488 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.756 11.306 33.607 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.697 11.021 33.422 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.110 10.299 34.433 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.590 10.301 34.173 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.270 10.230 32.789 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.276 10.235 32.684 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.695 8.896 34.230 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.671 8.076 35.150 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.224 8.619 33.037 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.298 9.192 32.221 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.818 7.311 32.757 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 33.167 6.629 31.531 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.696 6.402 31.789 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 33.369 7.475 30.282 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.315 7.416 32.495 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.846 8.501 32.254 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.995 6.276 32.536 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.687 5.341 32.714 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.427 6.265 32.299 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.882 4.910 31.796 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 37.075 3.996 31.653 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.174 4.768 31.529 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.942 5.405 31.590 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.660 3.486 31.055 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.089 3.547 30.579 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.785 4.544 30.768 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.544 2.480 29.942 1.00 0.00 A4 N -ATOM 1541 H SER A 173 41.111 1.613 29.696 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.911 2.472 29.476 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.791 1.592 30.385 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.478 1.756 31.751 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.075 1.166 32.295 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.031 1.923 28.067 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.306 1.000 27.681 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.951 2.499 27.309 1.00 0.00 A4 N -ATOM 1549 H MET A 174 44.533 3.291 27.492 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 44.248 1.991 25.989 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 44.027 3.025 24.880 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 44.608 2.558 23.558 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 44.147 3.597 22.146 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.077 5.085 22.477 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.723 1.655 26.078 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.575 2.541 26.114 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 46.024 0.368 26.146 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 45.430 -0.437 26.155 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.409 -0.065 26.224 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.531 -1.394 27.000 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.999 -1.780 27.142 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.855 -1.257 28.367 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 47.441 -0.143 29.214 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.918 -0.267 24.803 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.500 -1.205 24.106 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.821 0.614 24.390 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 49.214 1.383 24.894 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.400 0.576 23.059 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.711 2.012 22.584 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.276 1.998 21.164 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.427 2.843 22.659 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.644 4.325 22.588 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.669 -0.270 23.024 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.643 0.025 23.714 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.632 -1.343 22.238 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.892 -1.693 21.664 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.780 -2.216 22.112 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.747 -3.473 22.968 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.710 -4.226 22.992 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.658 -3.723 23.675 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.785 -3.247 23.783 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.647 -4.918 24.490 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.439 -5.149 25.366 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.373 -4.553 25.176 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.634 -6.046 26.326 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.482 -6.542 26.511 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.624 -6.462 27.284 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.343 -7.973 27.121 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.435 -8.472 28.232 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.715 -8.240 25.748 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.631 -9.714 25.414 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.171 -6.222 28.694 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.288 -6.638 29.010 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.394 -5.536 29.525 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.493 -5.133 29.366 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.802 -5.261 30.903 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.554 -3.785 31.264 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.092 -3.427 32.648 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.559 -2.285 32.847 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.041 -4.293 33.536 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.978 -6.187 31.789 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.773 -6.003 31.952 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.648 -7.184 32.356 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.627 -7.381 32.305 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.002 -8.196 33.187 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.025 -9.278 33.535 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.501 -10.032 32.334 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.810 -11.105 31.813 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 48.058 -11.339 32.430 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.507 -9.776 31.465 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.396 -10.680 30.438 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.366 -11.472 30.672 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.279 -7.730 34.438 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.425 -8.446 34.960 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.587 -6.534 34.917 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.231 -5.830 34.616 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.902 -6.069 36.116 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.735 -4.982 36.811 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.790 -3.809 36.022 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.337 -3.121 36.499 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.514 -5.531 35.786 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.730 -5.247 36.681 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.188 -5.420 34.500 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.696 -5.653 33.671 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.882 -4.874 34.122 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 44.017 -4.025 32.848 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 45.011 -2.858 32.919 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.971 -2.056 31.617 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.677 -1.970 34.116 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.755 -5.892 33.949 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.632 -5.517 33.629 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.028 -7.176 34.165 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 43.873 -7.641 34.429 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 41.965 -8.170 34.015 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.866 -8.648 32.550 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.023 -9.510 32.086 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.179 -8.938 31.570 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.228 -9.722 31.119 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.949 -10.901 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.998 -11.700 31.692 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.130 -11.100 31.179 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.170 -11.867 30.722 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.938 -12.833 30.837 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.187 -9.378 34.911 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.282 -9.582 35.420 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.139 -10.171 35.100 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.205 -10.084 34.754 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.234 -11.380 35.913 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.336 -11.303 37.167 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.966 -11.182 36.766 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.391 -11.133 37.583 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.720 -10.100 38.031 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.776 -12.577 35.094 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.029 -12.428 34.116 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.202 -13.766 35.505 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.789 -14.019 36.274 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.811 -14.973 34.790 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.561 -15.135 33.485 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.622 -14.540 33.292 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.020 -15.935 32.572 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.172 -16.464 32.584 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.696 -16.149 31.297 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.572 -17.613 30.853 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 41.948 -18.500 31.893 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.855 -19.441 31.568 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.173 -15.284 30.164 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.003 -14.892 30.137 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.072 -14.999 29.233 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.043 -15.236 29.217 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.747 -14.255 28.031 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 43.003 -13.595 27.460 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.268 -12.148 27.877 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.649 -11.722 27.437 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.200 -11.247 27.262 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.230 -15.298 27.037 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.856 -16.340 26.851 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.076 -15.035 26.435 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.468 -14.250 26.553 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.500 -15.938 25.439 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.074 -16.321 25.836 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.065 -17.352 26.904 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.164 -18.768 26.718 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.216 -19.358 27.996 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.218 -19.597 25.589 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.055 -17.142 28.255 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.148 -18.343 28.918 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.142 -18.172 29.903 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.319 -20.730 28.181 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.320 -20.962 25.772 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.369 -21.517 27.057 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.521 -15.232 24.081 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 39.075 -14.085 23.961 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.043 -15.915 23.066 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.396 -16.850 23.038 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.175 -15.318 21.742 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.613 -15.476 21.227 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.638 -14.695 22.015 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.296 -15.266 23.107 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.267 -14.558 23.817 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.968 -13.394 21.655 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.934 -12.677 22.351 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.579 -13.267 23.427 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.558 -12.574 24.088 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.649 -11.667 23.677 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.232 -15.777 20.641 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.874 -16.960 20.538 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.833 -14.808 19.822 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.047 -13.832 19.856 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 37.967 -15.064 18.683 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.612 -14.332 18.845 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.680 -14.836 17.880 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.808 -14.359 17.990 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.772 -12.824 18.659 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.738 -14.553 17.452 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.372 -13.487 17.491 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.701 -15.301 16.341 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 37.944 -16.528 16.066 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.434 -14.848 15.151 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.285 -16.022 14.164 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.793 -17.185 15.022 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.889 -13.564 14.535 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.692 -13.310 14.590 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.769 -12.754 13.962 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.767 -12.804 13.918 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.320 -11.560 13.249 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.453 -10.547 13.085 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 40.055 -9.457 12.064 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.775 -9.928 14.455 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.907 -8.913 14.412 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 38.981 -12.190 11.884 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 39.860 -12.725 11.212 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.717 -12.162 11.490 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 36.905 -11.756 11.908 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.333 -12.811 10.234 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.819 -12.769 10.053 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.313 -13.695 8.942 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.874 -13.383 8.583 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.349 -14.338 7.612 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.732 -15.233 7.384 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.260 -14.136 6.882 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.006 7.014 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.795 -13.024 6.393 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 32.027 -12.433 7.700 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.855 -15.065 6.022 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.026 -14.745 5.564 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.486 -15.840 6.059 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.003 -12.235 8.989 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.456 -12.967 8.119 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.067 -10.917 8.917 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.741 -10.232 9.568 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.671 -10.242 7.784 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.601 -9.984 6.718 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 38.006 -9.075 5.571 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.790 -8.908 4.653 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.851 -7.723 3.806 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.650 -7.150 3.622 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.804 -7.234 3.142 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.615 -7.828 3.228 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.958 -7.324 2.667 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.691 -8.622 3.831 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.936 -6.148 2.391 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.053 -5.932 1.974 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.883 -5.832 2.440 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.168 -8.937 8.341 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.526 -8.356 9.207 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.299 -8.469 7.840 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.896 -8.844 7.131 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.860 -7.223 8.317 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.386 -7.290 8.223 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.964 -8.421 9.068 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.292 -8.936 8.539 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.323 -9.427 7.388 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.303 -8.847 9.266 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.342 -5.971 7.609 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 40.948 -5.495 6.657 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.200 -5.463 8.065 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.599 -5.818 8.781 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.634 -4.228 7.539 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.610 -4.494 6.403 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.450 -5.373 6.682 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.161 -5.261 6.082 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.371 -6.322 6.581 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.593 -4.359 5.169 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.404 -6.475 7.501 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.149 -7.050 7.443 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 35.129 -7.849 8.044 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.044 -6.509 6.192 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.279 -4.546 4.788 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.517 -5.612 5.301 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.076 -3.619 8.817 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.745 -2.785 9.417 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.885 -4.010 9.251 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.189 -4.591 8.829 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.408 -3.571 10.566 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.890 -3.738 10.710 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.048 -2.805 9.872 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.766 -1.515 10.307 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.982 -0.667 9.559 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.521 -3.218 8.650 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.732 -2.369 7.885 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.466 -1.096 8.350 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.676 -0.239 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.386 -0.697 6.784 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.061 -4.696 11.389 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.725 -5.574 10.805 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.908 -4.680 12.715 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.484 -4.011 13.325 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.417 -5.793 13.510 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.763 -5.352 14.948 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.094 -4.638 14.994 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.164 -3.255 15.117 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.387 -2.595 15.083 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.279 -5.346 14.838 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.504 -4.698 14.794 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.550 -3.325 14.918 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.765 -2.684 14.872 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.488 -3.364 14.749 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.226 -6.744 13.492 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.412 -6.771 14.422 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.111 -7.497 12.401 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.717 -7.554 11.607 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.989 -8.414 12.210 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.723 -8.650 10.705 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.465 -9.487 10.480 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.239 -9.903 9.029 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.042 -9.522 8.150 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.243 -10.618 8.779 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.140 -9.759 12.889 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.180 -10.405 12.782 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.185 13.572 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.192 -9.737 13.697 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.068 -11.453 14.276 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.149 -11.236 15.814 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.395 -10.415 16.150 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.895 -10.525 16.324 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.794 -12.224 13.927 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.917 -11.712 13.234 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.695 -13.453 14.419 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.335 -13.961 14.995 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.533 -14.286 14.154 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.928 -15.546 13.326 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.735 -16.502 13.216 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.409 -15.132 11.934 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.948 -16.286 11.103 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.885 -14.752 15.450 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.535 -15.394 16.280 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.606 -14.418 15.610 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.037 -13.876 14.992 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.811 -14.811 16.764 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.746 -13.736 17.065 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.806 -14.217 18.164 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.443 -12.423 17.460 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.495 -11.226 17.537 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.125 -16.124 16.370 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.446 -16.189 15.335 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.294 -17.157 17.191 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.779 -17.202 18.065 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.739 -18.475 16.886 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.823 -19.588 17.040 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 30.002 -19.273 16.143 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.295 -19.688 18.496 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.517 -18.893 17.682 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.888 -19.913 17.373 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.164 -18.107 18.692 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.576 -17.258 19.024 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 25.013 -18.428 19.518 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.327 -19.653 20.389 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.196 -20.129 21.299 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.635 -21.345 22.152 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.143 -22.438 21.316 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 25.064 -22.489 20.320 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.784 -23.524 21.758 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.019 -23.710 23.060 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.506 -24.575 23.183 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.647 -22.936 23.572 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.220 -24.423 20.881 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.673 -25.166 21.374 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 25.981 -24.121 19.958 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.657 -17.245 20.409 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.523 -16.455 20.808 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.375 -17.113 20.705 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.583 -17.650 20.416 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.928 -16.048 21.586 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.246 -14.891 20.809 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.704 -13.882 21.804 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.249 -14.232 19.848 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.912 -16.622 22.556 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 21.028 -17.376 22.150 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.050 -16.281 23.835 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.749 -15.711 24.267 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.110 -16.741 24.859 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.728 -17.802 25.775 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.302 -19.008 25.091 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.823 -20.019 26.095 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.518 -19.611 27.054 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.548 -21.222 25.918 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.729 -15.568 25.733 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.542 -14.675 25.973 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.500 -15.588 26.229 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.779 -16.267 26.092 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 19.004 -14.542 27.106 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.895 -13.738 26.397 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.276 -12.726 27.365 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.509 -13.040 25.173 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.548 -12.185 24.382 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.494 -15.254 28.359 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.543 -16.026 28.304 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.140 -14.982 29.487 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.882 -14.332 29.653 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.815 -15.663 30.739 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.425 -15.282 31.259 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.485 -14.123 32.240 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.570 -13.639 32.553 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.331 -13.676 32.730 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.582 -14.213 32.341 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.515 -12.921 33.359 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.909 -17.175 30.543 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.059 -17.922 31.014 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.945 -17.608 29.818 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.664 -17.085 29.360 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.171 -19.029 29.587 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.304 -19.713 28.538 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.421 -20.919 28.323 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.441 -18.948 27.883 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.275 -17.966 27.974 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.551 -19.487 26.863 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.151 -18.881 27.023 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.047 -19.587 26.246 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.084 -20.344 27.153 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.087 -20.900 26.685 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.378 -20.366 28.461 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.224 -19.855 28.613 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.675 -20.887 28.944 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.088 -19.169 25.467 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.311 -18.012 25.125 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.282 -20.205 24.665 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.127 -21.176 24.847 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.785 -20.051 23.309 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.984 -21.436 22.684 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 19.954 -21.427 21.513 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 19.829 -20.567 20.617 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.845 -22.300 21.488 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.773 -19.262 22.474 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.580 -19.544 22.521 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.237 -18.271 21.720 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.164 -17.913 21.606 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.324 -17.506 20.874 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 18.009 -16.262 20.299 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 18.025 -14.979 21.130 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.464 -13.831 20.241 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.637 -14.683 21.686 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.866 -18.410 19.726 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.865 -18.142 19.071 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.616 -19.481 19.496 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.446 -19.770 19.973 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.311 -20.445 18.447 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 16.088 -21.277 18.837 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.406 -22.416 19.785 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.248 -23.390 19.859 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.743 -24.786 20.221 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.781 -25.265 19.255 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.079 -26.180 19.525 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.384 -25.293 18.338 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.557 -24.635 19.272 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 17.098 -19.874 17.051 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.115 -20.194 16.390 1.00 0.00 A4 O -ATOM 1967 N MET A 215 18.011 -19.026 16.601 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.833 -18.663 17.039 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.901 -18.468 15.265 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.077 -16.943 15.279 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 16.948 -16.190 15.961 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.119 -14.386 15.850 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.708 -14.130 14.123 1.00 0.00 A4 C -ATOM 1974 C MET A 215 19.008 -19.088 14.438 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.921 -19.717 14.978 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.905 -18.938 13.125 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.179 -18.510 12.587 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.935 -19.425 12.226 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.526 -19.150 10.781 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.540 -19.656 9.780 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.755 -19.488 10.020 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.117 -20.214 8.743 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.108 -18.526 12.623 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 21.002 -17.304 12.532 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.219 -19.106 13.059 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.468 -20.070 13.154 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.334 -18.282 13.501 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.485 -19.159 14.027 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.350 -20.210 12.822 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 23.812 -17.265 12.465 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.482 -16.294 12.815 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.443 -17.455 11.201 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 22.912 -18.194 10.786 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.816 -16.497 10.163 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.394 -16.989 8.777 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.493 -17.660 7.990 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.085 -17.837 6.527 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.127 -18.635 5.770 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.177 -20.027 6.286 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.869 -20.539 5.776 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.415 -20.006 7.257 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.280 -20.452 6.164 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.129 -15.161 10.422 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.657 -14.107 10.075 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.943 -15.214 11.023 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.432 -16.017 11.331 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.171 -14.009 11.336 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.836 -14.391 11.990 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.903 -15.265 11.126 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.326 -14.523 9.920 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.403 -13.274 9.879 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.777 -15.192 9.016 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.941 -13.071 12.282 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.802 -11.842 12.210 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.740 -13.660 13.170 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.909 -14.637 13.299 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.533 -12.907 14.143 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.186 -13.875 15.138 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.188 -14.735 15.886 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.502 -16.033 16.259 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.599 -16.815 16.955 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.937 -14.236 16.230 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 21.026 -15.002 16.926 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.356 -16.290 17.287 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.432 -17.054 17.964 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.606 -16.510 18.112 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.622 -12.084 13.471 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.054 -11.056 13.999 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.057 -12.536 12.300 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.752 -13.332 11.777 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.124 -11.871 11.571 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.282 -12.841 11.399 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.674 -13.501 12.706 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.212 -12.854 13.615 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.378 -14.787 12.821 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.953 -15.100 11.972 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.658 -15.106 13.727 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.697 -11.345 10.200 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.494 -11.324 9.267 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.446 -10.916 10.089 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.724 -10.887 10.780 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.923 -10.386 8.831 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.505 -10.926 8.603 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.799 -10.336 7.398 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.286 -10.533 6.111 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.640 -9.981 5.008 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.651 -9.575 7.556 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.001 -9.021 6.470 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.496 -9.225 5.199 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.830 -8.660 4.132 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.036 -8.157 4.473 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.887 -8.863 8.895 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.065 -8.312 9.616 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.723 -8.170 8.121 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.808 -7.174 8.091 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.669 -8.758 7.172 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.689 -7.905 5.896 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.040 -6.448 6.167 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.133 -6.051 7.351 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.214 -5.689 5.189 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.105 -8.923 7.685 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.993 -9.326 6.928 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.338 -8.585 8.950 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.704 -8.205 9.623 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.663 -8.738 9.573 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.672 -7.744 8.987 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.288 -6.286 9.230 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.315 -5.336 8.648 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.827 -3.897 8.685 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.675 -3.675 7.767 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.391 -2.718 7.826 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.958 -3.889 6.832 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.921 -4.272 8.041 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.499 -8.434 11.045 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.457 -7.932 11.454 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.517 -8.752 11.837 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.380 -9.204 11.610 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.498 -8.452 13.269 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.339 -9.719 14.106 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 28.058 -10.275 13.925 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.980 -11.101 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.836 -7.815 13.570 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.882 -8.364 13.209 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.669 14.243 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 30.056 -6.137 14.615 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.058 -5.990 14.543 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.239 -4.773 13.602 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 31.955 -5.185 12.134 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.252 -3.661 13.965 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.524 -2.343 13.170 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.195 -5.520 16.006 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.207 -5.416 16.730 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.435 -5.258 16.424 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.289 -5.351 15.913 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.736 -4.768 17.770 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.928 -5.509 18.378 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.236 -4.941 19.780 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.600 -7.005 18.465 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.075 -3.299 17.517 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.072 -2.981 16.852 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.246 -2.410 18.057 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.483 -2.547 18.689 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.367 -0.981 17.758 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.289 -0.679 16.696 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.193 0.781 16.317 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.017 1.599 16.771 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.265 1.098 15.542 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.247 -0.038 18.956 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.152 0.243 19.438 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.384 0.466 19.421 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.325 0.335 19.110 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.384 1.368 20.565 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.809 1.540 21.096 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.647 2.205 20.169 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.562 2.292 20.562 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.769 2.733 20.237 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.455 3.505 21.138 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.586 3.019 18.948 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.790 2.482 18.129 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 33.002 4.291 18.548 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.484 4.289 18.514 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.863 5.313 18.233 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.878 3.138 18.777 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.274 2.244 18.987 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.417 3.028 18.793 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.943 1.850 17.898 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.158 2.195 16.526 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.853 1.438 15.948 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.469 1.538 18.112 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.020 2.804 20.245 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.645 2.005 20.956 1.00 0.00 A4 O -ATOM 2132 N THR A 232 28.001 3.523 20.704 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.413 4.191 20.249 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.586 3.394 22.090 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.624 4.531 22.492 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.295 5.789 22.378 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.664 6.519 22.640 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.149 4.347 23.920 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.891 2.082 22.436 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.292 1.371 23.364 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.855 1.771 21.671 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.519 2.258 20.865 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.013 0.612 21.909 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.614 0.876 21.339 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.947 2.101 21.938 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.472 2.735 22.851 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.778 2.434 21.423 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.545 1.786 20.698 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.435 3.247 21.894 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.439 -0.732 21.348 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.406 -0.859 20.596 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.681 -1.742 21.760 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 23.960 -1.752 22.453 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.819 -3.068 21.207 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.291 -4.124 22.167 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 23.919 -5.446 21.471 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.144 -6.041 20.828 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.314 -6.426 22.473 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.804 -2.883 20.054 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.646 -2.559 20.306 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.226 -3.024 18.806 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.128 -3.236 18.431 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.277 -2.859 17.702 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.805 -1.833 16.694 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.158 -0.476 17.335 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.592 0.554 16.285 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.454 1.030 15.501 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.156 0.688 14.610 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.640 2.012 15.883 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.624 2.364 15.107 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.123 3.110 15.545 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.626 1.791 14.288 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.852 2.661 17.031 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.144 3.358 17.147 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.663 2.281 17.475 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.083 -4.231 17.061 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 24.053 -4.941 16.815 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.825 -4.599 16.817 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 20.984 -4.078 16.965 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.484 -5.905 16.262 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.704 -6.712 17.305 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.323 -6.904 18.688 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.245 -7.390 19.648 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.492 -7.893 18.611 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.647 -5.875 14.986 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.765 -5.032 14.831 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.909 -6.818 14.063 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 21.926 -7.883 14.167 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.168 -6.911 12.798 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.645 -8.239 12.209 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.068 -8.343 12.726 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -6.957 13.178 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.333 -7.514 14.219 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.843 -6.367 12.342 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.047 -5.909 11.477 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.302 12.588 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -5.985 11.275 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.142 -5.939 11.371 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.512 -5.725 9.985 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 12.017 -5.412 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.230 -6.507 10.698 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.266 -6.243 10.721 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.342 -7.342 10.159 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.566 -6.654 11.628 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.780 -7.548 13.219 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.141 -7.473 14.262 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 15.973 -8.695 12.586 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.490 -8.890 11.752 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.393 -9.935 13.085 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.688 -11.068 12.103 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.778 -12.275 12.255 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.741 -13.081 10.960 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.670 -14.161 10.997 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.421 -14.741 9.637 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.713 -15.444 9.707 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.118 -14.012 9.023 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.270 -15.145 9.295 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.867 -10.318 14.478 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.076 -10.774 15.307 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.159 -10.147 14.736 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.892 -9.802 14.150 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.713 -10.479 16.043 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.260 -10.465 16.006 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.822 -10.889 17.362 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.754 -11.402 14.902 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.218 -9.485 17.090 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 16.873 -9.868 18.211 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.183 -8.207 16.716 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.447 -7.802 15.841 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.717 -7.149 17.608 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.745 -5.794 16.886 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.202 -4.654 17.711 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 16.936 -4.133 18.768 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.949 -4.123 17.444 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.431 -3.105 19.546 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.433 -3.097 18.215 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.173 -2.584 19.270 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.287 -7.426 18.077 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.968 -7.279 19.260 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.424 -7.830 17.148 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.555 -8.003 16.172 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.031 -8.095 17.495 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.224 -8.396 16.226 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.319 -7.279 15.196 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.535 -7.553 13.920 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.732 -8.631 13.311 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.732 -6.678 13.519 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.923 -9.241 18.492 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.223 -9.139 19.504 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.631 -10.329 18.215 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.231 -10.532 17.441 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.608 -11.479 19.113 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.426 -12.628 18.521 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.154 -11.101 20.487 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.579 -11.458 21.514 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.253 -10.359 20.512 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.798 -9.981 19.763 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.855 -9.969 21.781 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.209 -9.301 21.534 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 14.955 -9.053 22.607 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.777 -9.266 23.806 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.391 -8.031 21.972 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.458 -7.752 21.014 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.516 -7.101 22.678 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.020 -5.968 21.757 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 11.966 -5.142 22.478 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.183 -5.092 21.349 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.299 -7.829 23.220 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.871 -7.600 24.356 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.736 -8.701 22.392 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 11.980 -8.953 21.456 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.575 -9.469 22.801 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.143 -10.416 21.680 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 9.073 -11.394 22.115 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.631 -12.288 20.973 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.746 -13.418 21.485 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.304 -14.314 20.380 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.728 -15.038 20.759 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.784 -13.778 19.714 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.110 -14.713 19.942 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.909 -10.270 24.056 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.111 -10.341 24.991 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.098 -10.861 24.081 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.829 -10.861 23.399 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.517 -11.661 25.227 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.765 -12.471 24.866 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.272 -13.147 25.996 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.084 -13.665 25.728 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.788 -10.808 26.458 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.423 -11.178 27.571 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.420 -9.656 26.264 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.760 -9.240 25.421 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.721 -8.772 27.385 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.670 -7.638 26.942 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.804 -6.592 28.045 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 16.037 -8.227 26.580 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.989 -7.217 25.978 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.436 -8.178 27.982 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.341 -7.996 29.200 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.452 -7.885 27.128 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.421 -7.986 26.134 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.175 -7.326 27.592 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.254 -6.977 26.413 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.604 -5.728 25.638 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.540 -5.456 24.572 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.868 -4.219 23.751 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.837 -3.935 22.703 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.104 -3.115 22.197 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.781 -4.716 22.081 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.953 -3.789 23.147 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.444 -8.337 28.468 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.893 -7.993 29.512 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.429 -9.587 28.022 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.834 -9.974 27.193 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.756 -10.645 28.758 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.836 -11.950 27.981 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.395 -10.816 30.121 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.704 -10.951 31.132 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.723 -10.804 30.148 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.378 -10.684 29.402 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.452 -10.982 31.394 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.957 -11.044 31.119 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.151 -9.878 32.399 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.086 -10.128 33.601 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.966 -8.659 31.905 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.982 -8.349 30.954 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.691 -7.516 32.773 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.568 -6.339 32.343 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.234 -5.942 31.012 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.815 -5.173 30.746 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.218 -7.086 32.723 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.883 -5.969 33.121 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.348 -7.975 32.253 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.512 -8.912 31.945 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.926 -7.672 32.116 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.205 -8.804 31.378 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.134 -9.974 32.172 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.658 -10.688 31.658 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.168 -7.372 33.403 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.945 -7.270 33.377 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.865 -7.240 34.527 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.845 -7.321 34.709 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.177 -6.921 35.770 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.819 -7.616 36.992 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.237 -7.416 36.979 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.637 -7.871 37.775 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.496 -9.106 36.977 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.171 -5.412 35.982 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.602 -4.910 36.950 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.822 -4.699 35.066 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.337 -5.024 34.272 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.874 -3.242 35.102 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.296 -2.739 35.352 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.909 -3.207 36.661 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.061 37.528 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.831 -1.027 36.975 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.357 -2.201 38.767 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.732 33.754 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.267 -3.494 32.792 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.073 -1.442 33.683 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.143 -0.727 34.379 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.552 -0.858 32.453 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.186 -0.223 32.744 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.309 0.028 31.526 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.909 0.475 31.955 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.984 0.655 30.762 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.714 29.848 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.847 1.803 29.079 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.531 2.578 30.348 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.388 1.458 29.515 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.508 0.182 31.880 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.941 1.093 32.587 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.839 0.039 30.599 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.557 -0.658 29.940 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.743 0.978 29.941 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.058 0.303 29.558 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.702 -0.454 30.669 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.344 -1.762 30.928 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.674 0.138 31.450 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.948 -2.470 31.943 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.281 -0.568 32.469 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.916 -1.874 32.714 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.152 1.572 28.670 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.519 0.871 27.879 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.363 2.878 28.452 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 8.070 3.854 29.298 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.832 3.511 27.244 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.343 4.945 27.352 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.485 5.154 28.832 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.435 2.784 26.043 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.541 2.251 26.134 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.724 2.757 24.923 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.825 3.140 24.713 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.242 2.085 23.739 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.188 2.064 22.635 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.426 0.956 21.632 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.294 -0.229 22.016 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.752 1.266 20.466 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.492 2.813 23.249 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.369 2.217 22.618 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.562 4.109 23.548 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.914 4.689 24.043 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.703 4.910 23.149 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 10.960 4.483 23.885 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.078 4.729 23.430 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.780 3.846 25.035 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.937 3.605 25.516 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.919 3.376 25.809 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.474 2.809 27.153 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.568 2.090 27.887 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.604 2.797 28.479 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.579 0.707 27.953 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.632 2.136 29.122 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.602 0.039 28.594 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.630 0.752 29.179 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.655 2.283 25.041 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.878 2.308 24.941 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.899 1.330 24.500 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.904 1.232 24.511 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.477 0.215 23.762 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.424 -0.880 23.549 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.871 -1.445 24.842 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.573 -2.235 25.815 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.671 -2.502 26.866 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.876 -2.743 25.900 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.608 -1.275 25.333 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.481 -1.904 26.544 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.551 -1.767 26.886 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.027 -3.249 27.991 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.231 -3.487 27.019 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.309 -3.732 28.048 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.100 0.624 22.425 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.855 -0.144 21.825 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.791 1.836 21.970 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.188 2.525 22.373 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.339 2.356 20.721 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.276 3.160 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.095 2.349 19.435 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 10.011 3.290 18.958 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.553 1.448 18.300 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.554 3.236 21.004 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.154 3.800 20.089 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.912 3.349 22.278 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.506 2.955 23.103 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.063 4.149 22.654 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.783 5.637 22.640 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.707 6.447 22.619 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.505 5.999 22.658 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.687 5.425 22.681 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.102 7.398 22.645 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.827 7.551 21.817 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.003 7.152 20.361 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.691 7.103 19.606 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.724 6.898 18.374 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.626 7.263 20.242 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.881 7.946 24.053 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.688 8.731 24.555 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.786 7.530 24.684 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.076 6.902 24.365 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.456 7.975 26.035 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.990 7.670 26.356 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 9.981 8.138 25.315 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.551 7.783 25.699 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.052 8.219 26.740 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.885 6.984 24.863 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.478 6.754 24.091 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 6.968 6.824 25.227 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.336 7.262 27.062 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.780 6.135 26.842 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.582 7.920 28.188 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.292 8.833 28.475 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.387 7.325 29.244 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.439 8.318 29.752 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.963 9.660 30.316 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.147 10.416 30.905 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.304 10.480 29.216 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.469 6.906 30.385 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.352 7.404 30.506 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.935 5.977 31.211 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.811 5.495 31.200 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.148 5.504 32.342 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.867 3.988 32.238 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.171 3.211 32.279 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.952 3.553 33.366 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.900 5.791 33.636 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.124 5.676 33.686 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.170 6.185 34.674 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.183 6.326 34.750 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.792 6.489 35.955 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.680 7.980 36.285 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.218 9.197 35.035 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.144 5.704 37.089 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 12.025 5.206 36.967 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.867 5.613 38.196 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.778 5.987 38.371 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.407 4.912 39.384 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 13.958 3.483 39.411 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.205 2.509 38.559 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.627 1.959 37.306 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.612 1.082 36.873 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.764 2.122 36.511 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.984 1.961 38.826 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.620 1.101 37.818 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.725 0.709 38.032 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.701 0.370 35.679 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.850 1.413 35.326 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.824 0.548 34.922 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.951 5.671 40.577 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 14.927 6.412 40.447 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.326 5.490 41.735 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.525 4.933 41.953 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.785 6.152 42.945 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 12.932 5.715 44.137 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.577 5.956 45.488 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.722 5.447 46.635 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.186 5.346 47.773 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.463 5.128 46.342 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 11.305 5.287 45.367 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 11.005 4.813 47.173 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.242 5.765 43.170 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.585 4.587 43.145 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.092 6.761 43.383 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.907 7.743 43.430 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.518 6.536 43.592 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.142 7.759 44.253 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.848 5.287 44.405 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.599 5.230 45.610 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.417 4.285 43.741 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.659 4.201 42.774 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.791 3.064 44.430 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.750 1.963 44.426 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.923 0.948 45.100 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.671 2.151 43.673 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.423 2.925 43.091 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.615 1.145 43.602 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.242 1.751 43.961 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.889 2.756 43.002 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.999 3.140 43.246 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.290 2.370 45.345 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.498 0.472 42.232 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.538 -0.249 41.977 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.466 0.708 41.349 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.286 1.275 41.423 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.430 0.093 40.024 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.725 0.360 39.237 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.979 1.771 39.188 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.822 1.932 38.675 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.596 -0.175 37.806 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.265 -1.418 40.202 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.065 -2.067 40.880 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.217 -1.992 39.597 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.217 -1.296 38.764 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.922 -3.427 39.678 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.447 -3.478 39.312 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.381 -2.450 38.208 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.781 -4.254 38.718 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.262 -4.897 37.814 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.093 -4.230 38.922 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.615 -3.751 39.628 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.018 -4.966 38.063 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.423 -4.905 38.649 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 19.996 -3.514 38.726 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.332 -2.658 37.622 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.909 -1.491 38.161 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.202 -2.769 36.232 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.367 -2.843 39.856 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.919 -1.629 39.523 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.188 -1.153 40.360 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.358 -0.442 37.360 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.648 -1.726 35.438 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.219 -0.577 36.006 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.625 -6.427 37.831 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.736 -6.938 36.716 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.151 -7.090 38.880 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.001 -6.769 39.815 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.756 -8.492 38.789 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.209 -8.969 40.139 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.899 -8.297 40.507 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.820 -8.896 40.410 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.986 -7.038 40.926 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.947 -6.760 40.926 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.068 -6.699 41.132 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.744 -8.831 37.698 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.722 -9.962 37.212 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.912 -7.873 37.298 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 14.830 -6.917 37.578 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.904 -8.159 36.277 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.682 -7.217 36.408 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.349 -7.014 37.881 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.975 -5.856 35.776 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.774 -4.912 35.802 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.438 -8.090 34.846 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.731 -8.427 33.890 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.681 -7.645 34.696 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.336 -7.322 35.379 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.298 -7.569 33.371 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.974 -6.218 33.195 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.998 -5.089 33.044 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.338 -4.884 31.841 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.694 -4.268 34.119 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.389 -3.880 31.716 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.744 -3.261 34.003 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.091 -3.068 32.803 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.292 -8.722 33.227 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.173 -8.916 34.063 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.156 -9.502 32.154 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.274 31.051 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.012 -10.657 31.872 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.261 -11.356 30.749 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.726 -10.195 29.967 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.452 -10.371 31.484 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.811 -9.244 31.112 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.283 -11.403 31.592 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 20.121 -12.329 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.674 -11.286 31.180 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.621 -12.192 32.006 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.517 -11.845 33.491 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.280 -13.652 31.774 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.644 -11.781 29.743 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.803 -12.613 29.392 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.535 -11.254 28.911 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.233 -10.561 29.092 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.615 -11.655 27.507 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.492 -10.430 26.554 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.712 -10.868 25.111 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.106 -9.798 26.693 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.952 -8.484 25.962 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 23.957 -12.319 27.234 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.007 -11.725 27.480 1.00 0.00 A4 O -ATOM 2630 N SER A 284 23.932 -13.552 26.743 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.169 -14.158 26.519 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.187 -14.237 26.442 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.177 -15.670 26.990 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.210 -15.674 28.401 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.202 -16.620 28.724 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.449 -14.282 24.940 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.605 -14.736 24.170 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.614 -13.784 24.537 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.331 -13.352 25.083 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.028 -13.805 23.144 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.525 -12.417 22.704 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.518 -11.254 22.800 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.172 -9.957 22.320 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.280 -11.557 21.942 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.173 -14.823 23.047 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.181 -14.701 23.749 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 28.000 -15.835 22.204 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.214 -16.047 21.624 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.030 -16.855 22.002 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.416 -18.242 21.811 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.803 -18.817 23.060 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.656 -18.260 23.610 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.080 -18.786 24.759 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.373 -19.924 23.693 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.808 -20.459 24.839 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.660 -19.886 25.364 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.075 -20.427 26.478 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.619 -21.208 26.784 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.811 -16.494 20.754 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.230 -16.234 19.694 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.129 -16.473 20.888 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.686 -16.666 21.696 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.001 -16.138 19.783 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.945 -15.013 20.200 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.212 -13.725 20.589 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.175 -12.711 21.184 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.567 -13.160 19.335 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.809 -17.349 19.346 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.140 -18.215 20.160 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.111 -17.397 18.052 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.850 -16.757 17.329 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 33.918 -18.461 17.474 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.166 -18.193 15.989 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.110 -19.210 15.324 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.410 -18.810 13.557 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.994 -19.518 12.834 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.265 -18.477 18.198 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.878 -17.422 18.412 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.736 -19.668 18.541 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.361 -20.583 18.395 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.003 -19.783 19.253 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.214 -20.006 18.373 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.148 -19.784 17.167 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.311 -20.460 18.977 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.429 -20.698 19.941 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.572 -20.688 18.272 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.767 -20.298 19.165 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.867 -18.796 19.487 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.146 -18.433 20.245 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.239 -18.727 21.469 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 44.060 -17.862 19.599 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.796 -22.110 17.772 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.627 -22.324 16.894 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.092 -23.087 18.335 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.408 -23.076 19.065 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.276 -24.456 17.878 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.788 -25.406 19.028 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.002 -24.777 19.705 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.698 -25.696 20.038 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.972 -24.980 17.287 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.911 -24.375 17.463 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.069 -26.108 16.593 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.886 -26.662 16.431 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.937 -26.731 15.934 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.359 -28.068 15.296 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.422 -27.825 14.367 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.697 -28.693 13.952 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.177 -28.708 14.556 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.743 -26.968 16.840 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.881 -27.461 17.962 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.568 -26.608 16.324 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.395 -26.212 15.422 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.299 -26.746 17.034 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.877 -28.218 17.070 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.574 -28.770 15.681 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.235 -28.024 14.769 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.677 -30.073 15.527 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.965 -30.481 16.393 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.440 -30.309 14.585 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.303 -26.160 18.456 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.554 -26.602 19.320 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.126 -25.143 18.688 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.764 -24.667 18.082 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.193 -24.538 20.020 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.601 -24.735 20.603 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.907 -23.970 21.901 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.563 -22.622 21.651 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.469 -22.502 20.817 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.126 -21.600 22.388 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.396 -21.922 22.990 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.643 -20.779 22.145 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.831 -23.052 20.024 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.275 -22.276 19.169 1.00 0.00 A4 O -ATOM 2734 N SER A 295 34.006 -22.670 20.986 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.564 -23.223 21.692 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.606 -21.285 21.152 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.157 -21.084 20.671 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.252 -21.811 21.476 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.323 -21.660 21.139 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.711 -20.935 22.635 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.147 -21.757 23.452 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.317 -19.706 22.970 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 32.986 -18.973 22.376 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.318 -19.236 24.347 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.697 -18.683 24.741 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.069 -17.396 24.050 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.724 -16.171 24.596 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.790 -17.413 22.866 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.096 -14.985 23.973 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.166 -16.229 22.234 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.021 22.781 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.255 -18.148 24.410 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.808 -17.639 23.374 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.824 -17.795 25.609 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.069 -18.100 26.529 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.799 -16.776 25.708 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.482 -17.392 26.188 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.446 -17.735 27.669 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.149 -18.459 28.073 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.108 -18.694 29.516 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.665 -18.225 30.202 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.317 -19.573 30.127 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.476 -20.332 29.427 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.971 -20.924 30.056 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.569 -20.111 28.456 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.369 -19.696 31.453 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.714 -20.395 31.741 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 28.049 -19.057 31.813 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.160 -15.632 26.618 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 31.991 -15.761 27.523 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.556 -14.488 26.339 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.954 -14.239 25.581 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.723 -13.342 27.203 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.341 -12.127 26.490 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.719 -12.495 25.939 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.418 -11.627 25.382 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 30.955 -10.362 24.703 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.288 -13.054 27.636 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.342 -13.080 26.826 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.117 -12.818 28.921 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.780 -12.784 29.669 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.798 -12.552 29.448 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.508 -13.471 30.650 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.407 -14.830 30.190 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.219 -15.425 30.971 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.192 -13.077 31.324 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.677 -11.080 29.824 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.517 -10.534 30.552 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.625 -10.460 29.287 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.928 -10.882 28.707 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.309 -9.044 29.457 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.811 -8.447 28.111 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.688 -6.937 28.208 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.784 -8.809 26.990 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.156 -8.221 27.173 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.204 -8.840 30.492 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.144 -9.461 30.411 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.451 -7.958 31.450 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.269 -7.401 31.597 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.479 -7.662 32.501 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.199 -7.340 33.821 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 25.980 -8.453 34.535 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.821 -7.850 35.666 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.023 -9.490 35.084 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.457 32.112 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 24.027 -5.645 31.271 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.447 -6.325 32.722 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.785 -7.246 33.662 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.585 -5.183 32.400 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.319 -5.461 33.210 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.809 -6.334 34.348 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.245 -3.856 32.755 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.920 -2.826 32.175 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.875 33.714 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.497 -4.633 34.277 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.877 -2.659 34.092 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.776 -2.903 35.306 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.008 -3.022 36.622 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.500 -4.426 36.884 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.514 -5.281 35.996 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.044 -4.669 38.110 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.128 -3.838 38.659 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.737 -5.619 38.161 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.727 -2.149 32.922 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.229 -1.021 32.940 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 24.907 -2.993 31.911 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.593 -3.935 31.793 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.666 -2.595 30.734 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.429 -3.786 30.154 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.798 -4.030 30.758 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.345 -5.397 30.385 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 27.958 -6.415 30.968 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.233 -5.429 29.399 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.397 -4.496 29.078 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.505 -6.377 29.236 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.721 -2.043 29.674 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.950 -0.959 29.147 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.644 -2.768 29.380 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.311 -3.633 29.756 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.722 -2.314 28.345 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.152 -3.509 27.566 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.229 -4.437 28.319 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.925 -4.072 28.597 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.044 -4.950 29.212 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.644 -5.710 28.683 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.778 -6.600 29.300 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.477 -6.217 29.559 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.596 -7.105 30.140 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 19.073 -7.964 30.323 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.613 -1.346 28.768 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.743 -0.998 27.964 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.644 -0.916 30.027 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.251 -1.188 30.774 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.709 0.100 30.518 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.366 31.745 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.854 -1.461 31.516 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.000 -1.607 32.765 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.973 -1.130 30.320 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.689 1.197 30.905 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.202 1.227 32.027 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.972 2.075 29.944 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.598 2.115 29.017 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.925 3.168 30.120 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.289 3.752 28.751 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.401 4.792 28.774 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.831 5.137 27.349 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.803 5.867 26.610 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.182 5.505 25.914 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.555 7.163 26.780 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.260 7.858 27.663 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 23.943 8.806 27.659 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.923 7.251 28.100 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.624 7.767 26.055 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.580 8.730 26.319 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.211 7.100 25.434 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.414 4.279 31.029 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.341 4.838 30.801 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.178 4.613 32.077 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.450 4.012 32.517 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.750 5.676 32.993 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.693 5.506 34.181 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.953 5.028 33.536 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.861 7.059 32.346 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.879 7.388 31.731 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.805 7.856 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 20.938 7.682 32.949 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.779 9.202 31.916 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.727 9.311 30.795 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.082 8.373 29.657 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.351 8.985 31.341 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.467 10.257 32.981 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.663 10.020 33.885 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.110 11.418 32.864 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.777 11.693 32.172 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.911 12.527 33.802 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.803 13.713 33.412 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.301 13.432 33.485 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.838 13.444 34.909 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.233 12.783 35.783 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.871 14.107 35.152 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.449 12.983 33.834 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.865 13.302 32.797 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.868 13.014 35.032 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.258 12.781 35.923 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.477 13.425 35.214 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.104 13.366 36.700 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.606 13.478 36.935 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.992 14.445 36.436 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.043 12.600 37.625 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.277 14.845 34.690 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.661 15.818 35.342 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.670 14.955 33.511 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.316 14.232 32.918 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.424 16.250 32.882 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.572 16.094 31.594 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.472 17.429 30.868 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.187 15.036 30.686 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.715 17.220 33.828 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.873 18.438 33.717 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.937 16.674 34.758 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.744 15.708 34.931 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.205 17.486 35.725 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.785 16.952 35.887 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.921 17.492 37.072 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.054 17.963 37.183 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.252 16.967 38.094 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.337 16.565 38.113 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.824 16.908 39.434 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.734 17.073 40.514 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.212 18.407 40.465 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.507 18.507 41.167 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.306 16.801 41.898 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.552 15.589 39.672 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.930 14.526 39.720 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.669 39.814 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.458 16.479 39.783 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.700 14.492 40.052 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.183 14.883 40.074 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.589 15.433 38.830 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.558 15.675 38.882 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.315 13.849 41.379 1.00 0.00 A4 C -ATOM 2942 O SER A 315 18.995 14.025 42.391 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.218 13.099 41.364 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.611 12.890 40.597 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.720 12.431 42.559 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.441 13.118 43.032 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.837 12.523 44.285 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.459 13.078 44.570 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.834 12.737 45.575 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.975 13.939 43.681 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.648 14.068 42.953 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.065 14.232 43.974 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.433 10.961 42.263 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.244 10.152 43.175 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.404 10.622 40.978 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.550 11.189 40.168 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.130 9.256 40.557 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.740 9.172 39.925 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.646 9.598 40.873 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.589 9.051 41.995 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.842 10.474 40.493 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.155 8.755 39.553 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.680 9.527 38.753 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.460 39.596 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.105 6.742 40.206 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.378 6.879 38.652 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.901 5.534 39.160 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.689 5.665 40.454 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.580 6.542 40.533 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.425 4.884 41.391 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.611 6.697 37.352 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.580 6.022 37.317 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.107 7.324 36.291 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.925 7.895 36.220 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.463 7.251 34.981 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.169 8.654 34.468 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.129 9.685 35.554 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.353 6.528 33.976 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.575 6.644 34.032 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.736 5.805 33.044 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.759 5.667 32.880 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.497 5.050 32.049 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.687 3.595 32.500 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.094 3.402 33.942 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.156 3.473 34.967 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.519 3.263 36.286 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.410 3.122 34.278 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.781 2.914 35.592 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.831 2.984 36.590 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.198 2.774 37.898 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.179 2.586 37.935 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.867 5.006 30.667 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.660 5.196 30.502 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.708 4.737 29.675 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.699 4.606 29.708 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.256 4.586 28.302 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.967 5.569 27.367 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.339 6.955 27.295 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.695 7.622 25.967 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.031 8.984 25.809 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.565 9.999 26.768 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.094 10.868 26.618 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.404 9.681 27.702 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.546 10.111 26.611 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.578 3.152 27.869 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.597 2.587 28.267 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.694 2.568 27.071 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.832 2.937 26.723 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.873 1.215 26.558 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.570 0.759 25.898 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.547 -0.697 25.514 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.872 -1.679 26.436 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.169 -1.079 24.232 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.818 -3.024 26.088 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.112 -2.422 23.875 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.436 -3.395 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 19.009 1.321 25.532 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.855 1.953 24.487 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.150 0.715 25.837 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.389 0.160 26.633 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.302 0.799 24.955 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.591 0.977 25.785 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.468 -0.341 23.952 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.587 -0.721 23.611 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.345 -0.872 23.485 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.401 -0.664 23.741 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.341 -1.908 22.459 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.741 -3.241 22.969 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.679 -4.254 21.831 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.599 -3.804 24.104 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.076 -5.123 24.668 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.436 -1.346 21.360 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.300 -0.975 21.633 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.936 -1.247 20.131 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.477 19.777 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.116 -0.731 19.038 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.440 0.742 18.736 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.827 1.027 18.758 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.963 1.997 18.555 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.213 -1.556 17.765 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.114 -2.388 17.597 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.262 -1.328 16.869 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.499 -0.682 16.898 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.213 -2.060 15.620 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.802 -1.980 15.043 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.653 -2.635 13.699 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.220 -2.601 13.212 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 14.962 -2.719 12.020 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.280 -2.447 14.138 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.716 -2.371 15.035 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.383 -2.447 13.695 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.232 -1.552 14.607 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.515 -0.359 14.535 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.783 -2.477 13.830 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.617 -3.463 13.819 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.775 -2.153 12.817 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.139 -2.713 13.218 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.070 -2.610 12.151 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.948 -2.985 12.448 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.397 -2.737 11.462 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.718 -3.760 11.378 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.854 -2.084 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.392 -1.243 10.352 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.600 -2.565 9.057 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.809 -1.524 8.254 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.509 -0.289 8.199 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.970 0.367 7.671 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.940 -2.826 8.391 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.003 -2.989 7.175 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.008 -2.859 9.192 1.00 0.00 A4 N -ATOM 3071 H THR A 329 23.053 -2.733 10.183 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.362 -3.104 8.679 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.169 -1.771 8.536 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.257 -1.107 9.806 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.775 -0.259 9.695 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.475 -0.835 7.530 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.167 -4.097 9.534 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.399 -4.018 9.622 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.461 -5.037 10.159 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.474 -5.199 10.173 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.114 -6.038 10.977 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.160 -5.733 12.465 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.765 -4.659 12.920 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.640 -6.704 13.230 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.971 -7.611 12.969 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.755 -6.554 14.677 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 25.998 -7.931 15.350 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.813 -8.729 15.232 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 24.973 -9.615 15.667 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.366 -7.770 16.827 1.00 0.00 A4 C -ATOM 3091 C THR A 331 26.918 -5.630 15.015 1.00 0.00 A4 C -ATOM 3092 O THR A 331 27.973 -5.657 14.361 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.723 -4.784 16.012 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.918 -4.611 16.580 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.803 -3.904 16.439 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.536 -2.416 16.106 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.703 -1.584 16.583 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.342 -2.226 14.594 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.961 -4.039 17.952 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.062 -3.661 18.710 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.082 -4.618 18.379 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.837 -5.006 17.851 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.370 -4.770 19.804 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.329 -5.957 20.028 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.626 -7.318 19.831 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.708 -8.787 19.768 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.232 -8.896 21.456 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.014 -3.451 20.198 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.227 -3.286 20.098 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.181 -2.510 20.625 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.190 -2.538 20.756 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.668 -1.193 20.989 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.244 -1.063 22.389 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.457 -2.055 23.094 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.480 0.184 22.783 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.313 1.031 22.278 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.047 0.511 24.079 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.115 2.025 24.239 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.359 -0.114 25.294 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.041 -0.562 26.220 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.030 -0.168 25.312 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.332 0.117 24.655 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.372 -0.744 26.487 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.845 -0.534 26.489 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.528 0.955 26.461 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.210 -1.283 25.327 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.641 -2.234 26.631 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.518 -2.786 27.722 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 29.000 -2.875 25.525 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.104 -2.512 24.599 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.312 -4.294 25.514 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.144 -4.895 24.086 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.730 -6.305 24.029 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.659 -4.937 23.714 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.793 -5.722 24.696 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.761 -4.470 25.973 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.065 -5.362 26.770 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.649 -3.603 25.486 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.514 -2.835 24.860 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.069 -3.681 25.846 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.903 -2.784 24.935 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.864 -3.182 23.436 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.701 -1.976 22.372 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.444 -2.244 22.811 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.328 -3.301 27.307 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.282 -3.785 27.907 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.486 -2.436 27.870 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.688 -1.983 27.472 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.635 -2.004 29.258 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.493 -1.057 29.650 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.602 0.343 29.057 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.372 1.202 29.346 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.270 2.313 28.774 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.511 0.764 30.144 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.655 -3.189 30.226 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.812 -4.081 30.160 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.612 -3.191 31.138 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.350 -2.548 31.340 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.684 -4.299 32.068 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.527 -5.451 31.538 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.814 -6.390 32.282 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.901 -5.406 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.689 -4.740 29.542 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.760 -6.446 29.699 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.126 -7.096 28.458 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.886 -7.887 28.750 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.654 -7.466 28.283 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.944 -9.027 29.525 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.501 -8.165 28.592 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.793 -9.731 29.838 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.575 -9.300 29.373 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.088 -5.828 29.294 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.169 -4.637 29.012 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.147 -6.625 29.307 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 38.251 -7.577 29.596 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.427 -6.130 28.843 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.556 -6.673 29.715 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.927 -6.177 29.321 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.194 -4.822 29.231 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.460 -4.362 28.937 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.971 -7.062 29.095 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.246 -6.607 28.797 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.483 -5.257 28.723 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.750 -4.792 28.443 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.363 -5.572 28.317 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.451 -6.731 27.426 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.272 -7.948 27.255 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.637 -5.890 26.413 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.811 -4.905 26.413 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.604 -6.369 25.028 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.466 -5.674 24.239 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.284 -6.336 22.849 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.183 -5.765 25.028 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.909 -6.175 24.308 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.409 -5.052 24.146 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.484 -7.287 23.876 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.186 -8.240 23.929 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.767 -7.229 23.196 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.681 -8.367 23.665 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.039 -8.235 23.022 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.794 -8.340 25.193 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.582 -7.332 21.696 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 41.997 -8.296 21.203 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 43.064 -6.318 20.985 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.517 -5.492 21.320 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 42.995 -6.265 19.525 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.677 -4.831 19.088 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.275 -4.410 19.443 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.243 -4.539 18.520 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 40.969 -3.995 20.741 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.935 -4.275 18.882 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.669 -3.729 21.112 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.640 -3.868 20.184 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.359 -6.739 19.036 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.253 -5.945 18.742 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.502 -8.059 18.983 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.818 -8.758 19.191 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.749 -8.714 18.591 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.787 -10.126 19.208 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.170 -10.765 19.149 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.057 -10.230 18.443 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.361 -11.813 19.809 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.902 -8.784 17.072 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.727 -9.835 16.464 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.231 -7.649 16.472 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.403 -6.750 16.875 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.397 -7.561 15.030 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.118 14.641 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.625 -5.120 14.955 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.141 -3.702 15.150 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.844 -3.191 13.973 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.807 -3.335 13.747 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.283 -2.449 13.023 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 45.000 -2.123 13.103 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.755 -1.568 12.308 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.615 -2.518 13.937 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 47.012 -2.015 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.429 -1.478 11.389 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.952 -2.340 12.107 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.460 -8.531 14.525 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.278 -9.181 13.494 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.560 -8.644 15.262 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.807 -8.191 16.119 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.646 -9.534 14.865 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.779 -9.489 15.901 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.193 -10.973 14.665 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.709 -11.663 13.794 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.246 -11.439 15.472 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.744 -10.998 16.216 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.782 -12.822 15.338 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.931 -13.562 16.678 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.380 -13.628 17.177 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.516 -14.469 18.446 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 49.001 -15.820 18.232 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.512 -16.147 17.424 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.820 19.103 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.735 -16.628 20.263 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.725 -17.482 20.783 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.048 -15.680 20.312 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.609 -18.016 18.813 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.787 -18.639 19.575 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.183 -17.979 17.909 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.343 -12.934 14.831 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.714 -13.989 14.943 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.829 -11.844 14.272 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.249 -10.945 14.146 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.470 -11.817 13.724 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.423 -12.572 12.385 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.388 -12.007 11.357 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.272 -12.691 9.998 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.290 -12.106 9.008 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.163 -12.703 7.638 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.846 -12.288 7.037 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.315 -13.690 7.697 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.245 -12.520 7.287 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.426 -12.396 14.661 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.683 -13.316 14.289 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.366 -11.859 15.878 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 43.916 -11.131 16.286 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.392 -12.319 16.853 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.935 -13.542 17.614 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.256 -13.278 18.348 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.537 19.011 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.936 -14.201 19.909 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.399 -13.318 19.983 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.489 -15.055 20.771 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.305 20.848 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.565 -16.798 21.541 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.293 -16.423 20.193 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.472 -14.653 21.582 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.759 -15.423 22.152 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.664 -13.687 21.407 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.069 -11.192 17.825 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.826 -10.227 17.949 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.320 18.489 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.254 -12.055 18.419 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.470 -10.349 19.471 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.147 -9.681 19.033 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.611 -8.780 20.159 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.379 -8.858 17.762 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.133 -8.190 17.253 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.219 -11.136 20.749 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.489 -12.126 20.728 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.834 -10.704 21.848 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.455 -9.932 21.984 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.645 -11.389 23.116 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.756 -10.669 24.117 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.730 -9.437 24.176 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 39.023 -11.451 24.905 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 38.974 -12.450 24.911 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.135 -10.926 25.932 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.660 -11.228 25.610 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.155 -10.592 24.338 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.502 -11.113 23.094 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.330 -9.476 24.391 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.025 -10.524 21.918 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.849 -8.878 23.215 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.200 -9.406 21.980 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.437 -11.576 27.294 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.672 -12.787 27.374 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.414 -10.765 28.351 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.278 -9.774 28.363 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.596 -11.240 29.729 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 40.074 -11.252 30.119 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.830 -10.274 30.640 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.586 -9.110 30.280 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.439 -10.764 31.807 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.559 -11.686 32.174 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.727 -9.956 32.782 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.335 -10.816 34.006 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.668 -9.943 35.090 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.390 -11.943 33.557 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.698 -8.844 33.195 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.851 -9.099 33.558 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.234 -7.609 33.100 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.331 -7.295 32.807 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.053 -6.448 33.441 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.418 -5.199 32.817 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 37.910 -4.012 33.404 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.470 -3.227 32.968 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.216 -6.220 34.956 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.377 -6.643 35.752 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.292 -5.539 35.337 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 40.046 -5.178 34.788 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.522 -5.205 36.737 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.879 -4.517 36.907 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.394 -4.257 37.158 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 38.013 -4.213 38.328 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.858 -3.501 36.200 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.090 -3.438 35.229 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.758 -2.584 36.487 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 37.003 -1.215 35.823 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 36.934 -1.181 33.986 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.447 -3.187 35.979 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.649 -2.512 35.332 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.227 -4.462 36.277 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.789 -5.104 36.798 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 34.015 -5.143 35.832 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.091 -6.640 36.136 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.081 -6.959 37.596 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.171 -6.748 38.411 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 35.927 -6.396 37.859 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.098 -7.435 38.395 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.608 -7.498 39.668 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.860 -7.079 39.650 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.753 -4.573 36.468 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.800 -3.955 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.623 -4.801 35.800 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.497 -5.304 34.945 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.328 -4.314 36.259 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.309 -4.296 35.093 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.051 -3.568 35.514 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 29.927 -3.623 33.874 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.790 -5.185 37.394 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.769 -6.413 37.293 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.350 -4.542 38.471 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.305 -3.559 38.647 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.832 -5.256 39.633 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.211 -4.518 40.922 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.682 -4.506 41.204 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.390 -5.648 41.512 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.766 -6.429 41.506 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.577 -3.489 41.227 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.799 -4.032 41.547 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.658 -5.335 41.714 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.326 -5.483 39.630 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.560 -4.740 39.015 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.921 -6.532 40.335 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.488 -7.184 40.838 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.522 -6.905 40.486 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.032 -7.686 39.262 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.549 -8.035 39.336 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.193 -9.000 40.041 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.735 -7.341 38.690 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.495 -7.767 41.741 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.455 -8.480 42.033 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.407 -7.692 42.491 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.566 -7.169 42.356 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.302 -8.445 43.732 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.983 -8.121 44.442 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.791 -6.656 44.796 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.667 -6.455 45.799 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.805 -6.939 46.944 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.648 -5.821 45.446 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.411 -9.955 43.578 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.223 -10.598 44.242 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.596 -10.521 42.697 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 22.925 -10.112 42.078 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.590 -11.964 42.515 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.172 -12.492 42.758 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.164 -12.049 41.725 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.643 -12.954 40.807 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.709 -10.740 41.692 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.685 -12.561 39.880 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.750 -10.341 40.765 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.238 -11.255 39.860 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.087 -12.460 41.163 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.001 -13.650 40.872 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.597 -11.560 40.334 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.731 -10.575 40.441 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.072 -11.961 39.024 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.007 -11.640 37.969 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.667 -12.320 38.233 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.592 -11.862 37.259 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.371 -10.429 37.373 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 21.864 -9.802 37.977 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.469 -9.742 36.680 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.683 -10.351 35.804 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.076 -9.675 35.386 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.904 -11.326 35.792 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.356 -8.434 36.873 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.637 -8.078 36.277 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 21.020 -8.148 37.564 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.382 -11.270 38.676 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.742 -10.245 39.266 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.106 -11.837 37.720 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.948 -12.662 37.177 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.363 -11.238 37.314 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.540 -11.785 38.156 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.779 -11.298 37.620 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.534 -11.656 38.169 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.546 -13.295 38.163 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.674 -11.433 35.840 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.398 -12.482 35.260 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.225 -10.393 35.232 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.438 -9.485 35.593 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.622 -10.453 33.840 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.165 -9.112 33.396 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.721 -11.514 33.816 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.444 -11.699 34.807 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.845 -12.221 32.705 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.345 -12.181 31.840 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.856 -13.265 32.620 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.336 -14.542 33.289 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.262 -13.584 31.193 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.565 -13.220 30.241 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.411 -14.251 31.079 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.040 -14.502 31.814 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 33.945 -14.735 29.811 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.244 -14.010 29.394 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.624 -14.433 27.960 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.043 -12.501 29.456 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.243 -16.190 30.159 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.154 -16.485 30.941 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.448 -17.093 29.603 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.704 -16.969 28.946 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.575 -18.507 29.912 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.337 -18.957 30.686 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.197 -18.291 32.051 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.830 -18.510 32.689 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.744 -18.475 33.934 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.835 -18.696 31.954 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.416 28.711 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.217 -19.199 27.632 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.592 -20.445 28.927 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.084 -20.702 29.759 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.888 -21.412 27.885 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.549 -22.635 28.487 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.878 -22.644 29.685 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.760 -23.690 27.684 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.601 -24.849 28.042 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.389 -23.736 26.267 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.467 -24.628 25.675 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.606 -25.680 26.758 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 34.020 -24.354 26.085 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.562 -25.098 26.941 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.366 -24.030 24.977 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.628 -23.393 24.252 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.073 -24.613 24.651 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.979 -23.552 24.493 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.483 -22.994 25.790 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.151 -21.959 26.413 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.357 -23.532 26.396 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.704 -21.460 27.642 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.900 -23.043 27.618 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.581 -22.002 28.243 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.246 -25.309 23.316 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.073 -24.894 22.498 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.483 -26.374 23.096 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.807 -26.827 23.677 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.563 -27.075 21.831 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.341 -28.596 21.980 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.040 -28.865 22.698 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.316 -29.245 20.597 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.459 -26.492 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.341 -26.303 21.440 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.790 -26.181 19.729 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.671 -26.276 19.265 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.825 -25.611 18.801 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.864 -24.068 18.834 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.650 -23.622 20.177 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.676 -22.623 20.196 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.774 -23.482 17.933 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.190 -26.104 17.409 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.249 -25.772 16.870 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.307 -26.908 16.835 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.424 -27.233 17.174 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.541 -27.467 15.514 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.713 -28.741 15.351 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.748 -29.704 16.545 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.876 -30.920 16.231 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.177 -30.130 16.852 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.186 -26.494 14.391 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.361 -25.597 14.572 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.837 -26.675 13.244 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.561 -27.334 13.041 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.565 -25.884 12.046 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.192 -26.291 11.494 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.115 -27.773 11.159 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.115 -28.425 11.531 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.058 -28.288 10.519 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.605 -24.368 12.209 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.788 -23.663 11.626 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.561 -23.859 12.975 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.299 -24.305 13.481 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.645 -22.418 13.184 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.729 -22.095 14.203 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.434 -22.652 15.576 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.690 -22.165 16.749 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.098 -23.065 16.131 1.00 0.00 A4 C -ATOM 3541 C MET A 379 30.894 -21.630 11.907 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.495 -20.471 11.805 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.548 -22.254 10.934 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.922 -23.181 10.896 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.823 -21.579 9.671 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.625 -22.489 8.738 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.106 -22.555 9.070 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.723 -21.173 9.216 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.417 -20.289 8.386 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.520 -20.971 10.157 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.543 -21.138 8.973 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.521 -20.105 8.296 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.479 -21.915 9.148 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.388 -22.759 9.677 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.197 -21.601 8.532 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.238 -22.785 8.674 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.788 -24.060 8.057 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.243 -24.008 6.893 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.762 -25.117 8.732 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.546 -20.359 9.132 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.563 -19.854 8.590 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.080 -19.864 10.247 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.868 -20.168 10.783 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.499 -18.680 10.883 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.902 -18.600 12.358 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.321 -20.018 13.337 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.898 -17.387 10.192 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.240 -16.359 10.351 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.432 9.437 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.615 -18.183 9.237 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.430 -16.245 8.735 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.556 -15.994 7.519 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.144 -16.935 6.835 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.258 -14.726 7.256 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.516 -13.895 7.749 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.440 -14.361 6.105 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.635 -13.096 6.402 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.838 -12.579 5.225 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.770 -13.302 4.711 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 24.037 -12.827 3.630 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.156 -11.364 4.628 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.432 -10.880 3.551 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.373 -11.615 3.057 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.648 -11.131 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.031 -10.251 1.711 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.351 -14.120 4.909 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.434 -13.551 5.054 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.912 -14.563 3.732 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.061 -15.040 3.515 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.689 -14.391 2.503 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.041 -15.754 1.900 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.867 -16.611 2.836 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.961 -16.223 3.246 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.346 -17.787 3.180 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.458 -17.893 2.733 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.980 -18.256 3.795 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.918 -13.577 1.463 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.682 -13.452 1.605 1.00 0.00 A4 O -ATOM 3599 C1 X 1 24.673 4.150 20.223 0.00 0.00 C -ATOM 3600 C2 X 1 23.671 5.334 20.112 0.00 0.00 C -ATOM 3601 C3 X 1 24.247 6.486 19.260 0.00 0.00 C -ATOM 3602 C4 X 1 24.027 7.855 19.939 0.00 0.00 C -ATOM 3603 C5 X 1 23.737 8.967 18.915 0.00 0.00 C -ATOM 3604 C6 X 1 22.283 9.473 19.005 0.00 0.00 C -ATOM 3605 C7 X 1 21.978 10.524 17.922 0.00 0.00 C -ATOM 3606 C8 X 1 20.598 10.310 17.266 0.00 0.00 C -ATOM 3607 O1 X 1 20.409 8.911 16.950 0.00 0.00 O -ATOM 3608 C9 X 1 19.398 8.650 15.948 0.00 0.00 C -ATOM 3609 C10 X 1 18.143 8.071 16.577 0.00 0.00 C -ATOM 3610 O2 X 1 17.198 8.774 16.866 0.00 0.00 O -ATOM 3611 N1 X 1 18.105 6.737 16.809 0.00 0.00 N -ATOM 3612 C11 X 1 19.157 5.807 16.375 0.00 0.00 C -ATOM 3613 C12 X 1 19.942 5.215 17.518 0.00 0.00 C -ATOM 3614 O3 X 1 20.099 4.020 17.663 0.00 0.00 O -ATOM 3615 N2 X 1 20.445 6.144 18.356 0.00 0.00 N -ATOM 3616 C13 X 1 21.186 5.897 19.593 0.00 0.00 C -ATOM 3617 C14 X 1 22.316 4.850 19.554 0.00 0.00 C -ATOM 3618 C15 X 1 20.329 5.974 20.871 0.00 0.00 C -ATOM 3619 C16 X 1 20.106 7.471 21.178 0.00 0.00 C -ATOM 3620 N3 X 1 18.742 7.903 21.656 0.00 0.00 N -ATOM 3621 C17 X 1 18.454 9.367 21.366 0.00 0.00 C -ATOM 3622 C18 X 1 18.005 9.372 19.939 0.00 0.00 C -ATOM 3623 C19 X 1 16.990 9.364 21.043 0.00 0.00 C -ATOM 3624 C20 X 1 19.170 10.503 22.041 0.00 0.00 C -ATOM 3625 C21 X 1 20.094 10.270 23.074 0.00 0.00 C -ATOM 3626 C22 X 1 20.752 11.326 23.720 0.00 0.00 C -ATOM 3627 C23 X 1 20.471 12.636 23.312 0.00 0.00 C -ATOM 3628 C24 X 1 19.560 12.902 22.273 0.00 0.00 C -ATOM 3629 C25 X 1 18.910 11.825 21.640 0.00 0.00 C -ATOM 3630 C26 X 1 19.285 14.344 21.829 0.00 0.00 C -ATOM 3631 C27 X 1 17.795 14.557 21.499 0.00 0.00 C -ATOM 3632 C28 X 1 19.671 15.395 22.890 0.00 0.00 C -ATOM 3633 C29 X 1 20.115 14.650 20.572 0.00 0.00 C -ATOM 3634 O4 X 1 19.073 5.316 20.661 0.00 0.00 O -ATOM 3635 C30 X 1 18.719 4.751 15.344 0.00 0.00 C -ATOM 3636 C31 X 1 16.975 6.127 17.524 0.00 0.00 C -ATOM 3637 H20 X 1 20.299 7.113 18.123 0.00 0.00 H -ATOM 3638 H27 X 1 18.644 7.732 22.670 0.00 0.00 H -ATOM 3639 H28 X 1 18.032 7.321 21.182 0.00 0.00 H -ATOM 3640 H46 X 1 18.520 5.416 21.458 0.00 0.00 H -ENDMDL diff --git a/examples/example1/output_example/rec2-min.json b/examples/example1/output_example/rec2-min.json deleted file mode 100644 index ddacbc6..0000000 --- a/examples/example1/output_example/rec2-min.json +++ /dev/null @@ -1,42 +0,0 @@ -[ - { - "START": { - "VDW": 327422.19621518848, - "VDW03": 569.43453601221233, - "Bonds": 1222102.8280694862, - "Angles": 2390.1215425698833, - "Torsions": 734.52218169377102, - "Impropers": 190.29625423682947, - "Total": 1553409.3987991873 - }, - "FINAL": { - "VDW": -2234.3930757823114, - "VDW03": 357.34578808308618, - "Bonds": 518.45168063291953, - "Angles": 1465.3455723916738, - "Torsions": 978.71131186319951, - "Impropers": 225.99460354058783, - "Total": 1311.4558807291555 - } - }, - { - "START": { - "VDW": 327422.19621518848, - "VDW03": 569.43453601221233, - "Bonds": 1222102.8280694862, - "Angles": 2390.1215425698833, - "Torsions": 734.52218169377102, - "Impropers": 190.29625423682947, - "Total": 1553409.3987991873 - }, - "FINAL": { - "VDW": -2234.3930757823114, - "VDW03": 357.34578808308618, - "Bonds": 518.45168063291953, - "Angles": 1465.3455723916738, - "Torsions": 978.71131186319951, - "Impropers": 225.99460354058783, - "Total": 1311.4558807291555 - } - } -] \ No newline at end of file diff --git a/examples/example1/output_example/rec2-min.pdb b/examples/example1/output_example/rec2-min.pdb deleted file mode 100644 index fb9bdcc..0000000 --- a/examples/example1/output_example/rec2-min.pdb +++ /dev/null @@ -1,7230 +0,0 @@ -MODEL 1 -REMARK START VDW: 327422.196 -REMARK START VDW03: 569.435 -REMARK START Bonds 1222102.828 -REMARK START Angles: 2390.122 -REMARK START Torsions: 734.522 -REMARK START Impropers: 190.296 -REMARK START Total: 1553409.399 -REMARK -REMARK FINAL VDW: -2234.393 -REMARK FINAL VDW03: 357.346 -REMARK FINAL Bonds 518.452 -REMARK FINAL Angles: 1465.346 -REMARK FINAL Torsions: 978.711 -REMARK FINAL Impropers: 225.995 -REMARK FINAL Total: 1311.456 -ATOM 1 N GLU A 1 52.110 4.112 30.265 1.00 0.00 A0 N -ATOM 2 H GLU A 1 52.146 3.300 30.846 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 51.954 5.408 30.914 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.235 6.178 30.827 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.363 5.453 31.564 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.640 6.243 31.399 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 55.863 6.863 30.362 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.420 6.255 32.334 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.845 6.222 30.369 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.897 7.427 30.151 1.00 0.00 A0 O -ATOM 11 N MET A 2 49.812 5.436 30.117 1.00 0.00 A0 N -ATOM 12 H MET A 2 49.926 4.447 29.974 0.00 0.00 A0 H -ATOM 13 CA MET A 2 48.581 6.140 29.807 1.00 0.00 A0 C -ATOM 14 CB MET A 2 48.483 6.285 28.274 1.00 0.00 A0 C -ATOM 15 CG MET A 2 49.167 7.312 27.348 1.00 0.00 A0 C -ATOM 16 SD MET A 2 48.675 7.465 25.608 1.00 0.00 A0 S -ATOM 17 CE MET A 2 49.603 6.101 24.859 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.321 5.523 30.451 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.264 6.127 30.352 1.00 0.00 A0 O -ATOM 20 N VAL A 3 47.466 4.326 31.108 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.280 3.763 31.064 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.452 3.716 31.990 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.111 2.688 32.967 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 46.184 2.095 34.050 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.758 1.569 32.147 1.00 0.00 A0 C -ATOM 26 C VAL A 3 45.579 4.724 32.717 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.053 5.541 33.498 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.304 4.648 32.295 1.00 0.00 A0 N -ATOM 29 H ASP A 4 43.960 3.780 31.951 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.335 5.718 32.359 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 43.156 6.231 33.804 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.273 5.147 34.912 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.882 5.434 35.961 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 42.763 4.028 34.720 1.00 0.00 A0 O -ATOM 35 C ASP A 4 43.399 6.794 31.201 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.536 7.979 31.465 1.00 0.00 A0 O -ATOM 37 N ASN A 5 43.179 6.398 29.855 1.00 0.00 A0 N -ATOM 38 H ASN A 5 43.739 5.614 29.548 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 42.496 7.339 28.855 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 41.718 6.978 27.457 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 41.924 6.211 26.097 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 41.627 5.034 25.991 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 42.304 6.862 24.961 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 41.881 6.386 24.186 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 43.067 7.502 24.700 0.00 0.00 A0 H -ATOM 46 C ASN A 5 41.185 7.711 29.507 1.00 0.00 A0 C -ATOM 47 O ASN A 5 40.879 8.799 29.999 1.00 0.00 A0 O -ATOM 48 N LEU A 6 40.448 6.572 29.499 1.00 0.00 A0 N -ATOM 49 H LEU A 6 40.891 5.704 29.731 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 39.021 6.578 29.318 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 38.597 5.127 28.949 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 39.341 4.628 27.665 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 39.921 3.249 27.728 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 38.653 4.549 26.338 1.00 0.00 A0 C -ATOM 55 C LEU A 6 38.625 7.174 30.623 1.00 0.00 A0 C -ATOM 56 O LEU A 6 39.027 6.771 31.695 1.00 0.00 A0 O -ATOM 57 N ARG A 7 38.046 8.335 30.409 1.00 0.00 A0 N -ATOM 58 H ARG A 7 38.036 8.633 29.444 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 37.031 8.669 31.366 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 37.220 10.058 32.030 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 38.606 10.502 32.567 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.000 9.924 33.919 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.222 10.535 34.451 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.216 11.402 34.955 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.335 9.777 34.425 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.466 8.814 33.519 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.266 8.218 33.535 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.777 8.682 32.808 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.306 9.972 35.312 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 43.120 9.390 35.292 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 42.216 10.685 36.008 0.00 0.00 A0 H -ATOM 72 C ARG A 7 35.919 8.507 30.362 1.00 0.00 A0 C -ATOM 73 O ARG A 7 35.779 7.467 29.740 1.00 0.00 A0 O -ATOM 74 N GLY A 8 35.237 9.586 30.099 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.531 10.522 30.261 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.251 9.500 29.063 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.276 10.476 29.563 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.287 10.848 30.730 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.393 10.836 28.652 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.531 10.746 27.663 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.103 10.904 29.293 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.464 12.261 29.057 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.297 13.399 29.648 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.596 14.729 29.410 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.302 15.926 30.038 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.490 17.116 29.752 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.967 17.965 30.115 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.374 17.197 28.724 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.547 17.024 30.182 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.297 9.748 28.778 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.547 9.245 27.690 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.329 9.344 29.618 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.308 9.707 30.549 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.375 8.325 29.180 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.387 8.039 30.312 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.497 6.987 29.933 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.828 6.944 30.603 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.633 8.687 27.900 1.00 0.00 A0 C -ATOM 99 O SER A 10 26.991 9.725 27.796 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.778 7.764 26.927 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.341 6.958 27.107 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.151 7.960 25.617 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.821 8.964 24.695 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.304 9.317 23.642 1.00 0.00 A0 O -ATOM 105 N GLN A 12 28.999 9.418 25.152 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.440 9.016 25.952 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.747 10.379 24.359 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.823 11.721 25.085 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.403 12.250 25.316 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.438 13.608 25.972 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.472 14.213 26.145 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.249 14.100 26.320 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.413 13.564 26.249 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.213 15.038 26.662 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.110 9.845 24.012 1.00 0.00 A0 C -ATOM 116 O GLN A 12 31.997 10.580 23.621 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.231 8.515 24.164 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.525 7.980 24.621 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.446 7.868 23.710 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.587 8.008 24.696 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.534 8.658 25.735 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.619 7.308 24.242 1.00 0.00 A0 N -ATOM 123 H TYR A 14 34.494 6.816 23.392 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 35.889 7.139 24.885 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 35.945 5.666 25.248 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.088 5.148 26.413 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 33.849 4.525 26.129 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.151 3.856 27.151 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 35.570 5.191 27.745 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 34.880 4.521 28.774 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 33.688 3.846 28.451 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.016 3.150 29.428 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.429 3.305 30.262 0.00 0.00 A0 H -ATOM 134 C TYR A 14 36.950 7.570 23.849 1.00 0.00 A0 C -ATOM 135 O TYR A 14 36.668 7.662 22.665 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.147 7.860 24.383 1.00 0.00 A0 N -ATOM 137 H TYR A 15 38.513 7.286 25.112 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 38.850 9.139 24.509 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.532 8.960 26.018 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.230 9.912 27.129 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.223 10.146 28.068 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 38.934 10.876 29.210 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 36.959 10.434 27.288 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.670 11.225 28.412 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.682 11.476 29.324 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.495 12.397 30.313 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 37.658 13.242 29.921 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.278 8.655 23.888 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.386 7.483 23.622 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.393 9.426 23.561 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.045 10.268 23.359 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.936 9.346 23.380 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 42.934 8.490 22.064 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 42.193 8.866 20.825 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.222 7.820 21.822 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.772 10.831 23.345 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.224 11.402 22.430 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.771 11.523 24.284 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.335 11.410 25.190 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.635 12.886 24.457 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 46.147 13.205 25.992 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.906 14.627 26.430 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.296 15.313 27.843 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.382 15.719 28.545 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.473 15.517 28.219 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.813 13.633 23.607 1.00 0.00 A0 C -ATOM 167 O GLU A 17 47.936 13.592 24.076 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.659 14.305 22.377 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.848 14.886 22.205 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.764 14.252 21.331 1.00 0.00 A0 C -ATOM 171 CB MET A 18 47.865 13.563 19.814 1.00 0.00 A0 C -ATOM 172 CG MET A 18 47.308 13.193 18.387 1.00 0.00 A0 C -ATOM 173 SD MET A 18 46.657 11.496 18.351 1.00 0.00 A0 S -ATOM 174 CE MET A 18 46.922 10.282 17.019 1.00 0.00 A0 C -ATOM 175 C MET A 18 48.326 15.566 21.066 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.705 16.614 21.058 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.558 15.372 20.638 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.971 14.464 20.527 0.00 0.00 A0 H -ATOM 179 CA THR A 19 50.111 16.506 19.989 1.00 0.00 A0 C -ATOM 180 CB THR A 19 51.361 16.819 20.732 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 52.074 15.614 20.994 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.917 15.889 21.313 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.922 17.470 22.044 1.00 0.00 A0 C -ATOM 184 C THR A 19 50.245 16.153 18.563 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.691 15.103 18.117 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.735 17.153 17.885 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.328 17.915 18.387 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 49.997 17.158 16.476 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.700 17.023 15.684 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 48.048 15.663 15.927 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.749 18.149 16.022 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.763 18.420 16.200 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.516 19.480 16.763 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.755 18.227 15.332 1.00 0.00 A0 N -ATOM 195 H GLY A 21 51.927 17.324 14.942 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.544 19.392 14.976 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.730 19.713 15.851 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.984 19.124 16.896 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.433 20.726 15.321 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.145 21.073 14.428 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.600 21.300 15.981 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.880 20.808 15.303 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.868 19.381 15.208 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.570 19.144 14.617 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.529 22.815 15.892 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.647 23.367 14.808 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.327 23.502 17.048 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.223 24.959 17.063 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.225 22.914 18.392 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.372 24.157 19.284 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.771 25.301 18.474 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.929 22.148 18.637 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.890 22.429 18.051 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.056 21.132 19.535 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.282 20.721 20.220 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.925 20.271 19.890 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.511 19.429 21.020 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.990 19.314 20.715 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.659 20.991 20.292 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.616 21.785 21.225 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.623 20.651 19.515 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.712 19.947 18.812 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.322 21.162 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.506 21.563 18.675 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.181 22.757 18.011 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.171 16.801 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.170 23.270 16.830 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.155 23.397 15.725 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.151 23.331 15.781 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.728 23.634 14.854 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.636 20.107 20.678 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.274 19.051 20.173 1.00 0.00 A0 O -ATOM 233 N THR A 26 48.509 20.469 21.972 1.00 0.00 A0 N -ATOM 234 H THR A 26 48.492 21.435 22.212 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.844 19.544 22.858 1.00 0.00 A0 C -ATOM 236 CB THR A 26 48.001 19.809 24.341 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 49.383 19.847 24.649 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 49.450 19.704 25.581 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 47.305 18.748 25.207 1.00 0.00 A0 C -ATOM 240 C THR A 26 46.432 19.737 22.489 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.817 20.792 22.591 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.993 18.625 21.917 1.00 0.00 A0 N -ATOM 243 H LEU A 27 46.528 17.776 21.877 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 44.594 18.634 21.600 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 44.551 18.049 20.218 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.922 19.172 19.277 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 45.137 18.608 17.906 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 43.960 20.324 19.383 1.00 0.00 A0 C -ATOM 249 C LEU A 27 44.127 17.857 22.767 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.612 18.229 23.835 1.00 0.00 A0 O -ATOM 251 N ASN A 28 43.287 16.803 22.499 1.00 0.00 A0 N -ATOM 252 H ASN A 28 42.537 17.238 22.042 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 43.222 15.367 22.839 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 43.786 15.629 24.324 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 43.507 15.822 25.880 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 44.180 15.198 26.697 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 42.474 16.560 26.367 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 41.739 16.996 25.811 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 42.641 16.653 27.384 0.00 0.00 A0 H -ATOM 260 C ASN A 28 41.980 14.795 21.924 1.00 0.00 A0 C -ATOM 261 O ASN A 28 41.371 15.772 21.487 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.652 13.410 21.488 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.578 12.792 22.256 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.829 12.723 20.293 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 41.610 11.913 19.123 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 40.981 10.776 18.418 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 42.408 12.376 17.859 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 41.630 12.925 16.826 1.00 0.00 A0 C -ATOM 269 C ILE A 29 39.860 11.514 20.767 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.216 10.934 21.759 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.712 11.048 20.097 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.304 11.605 19.385 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.000 9.714 20.284 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.591 9.697 19.584 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.585 8.538 19.872 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.610 8.913 20.972 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.795 8.008 18.678 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.629 8.353 19.805 1.00 0.00 A0 C -ATOM 279 O LEU A 30 38.947 8.162 18.634 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.710 7.371 20.756 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.357 7.555 21.672 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.049 5.995 20.331 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.729 5.159 21.443 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 39.733 3.627 21.284 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 41.189 5.549 21.458 1.00 0.00 A0 C -ATOM 286 C VAL A 31 37.911 5.226 19.691 1.00 0.00 A0 C -ATOM 287 O VAL A 31 36.878 4.931 20.281 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.197 4.907 18.417 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.063 5.207 18.018 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.183 4.258 17.598 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.550 5.311 16.679 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.371 4.787 15.870 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.797 3.766 16.231 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.029 5.409 14.869 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.732 3.093 16.801 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.367 3.273 15.771 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.412 1.887 17.309 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.862 1.822 18.142 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.821 0.686 16.577 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.953 -0.518 17.518 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.685 -0.880 18.071 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.823 -1.663 18.587 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.968 -0.259 18.629 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.973 0.314 15.365 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.260 -0.655 14.675 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.921 1.125 15.133 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.735 1.904 15.730 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 35.074 0.853 13.971 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.203 1.818 12.802 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.849 11.920 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.318 2.579 12.816 1.00 0.00 A0 N -ATOM 312 H SER A 35 36.920 2.579 13.615 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.680 3.349 11.622 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.121 4.778 11.669 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.781 5.548 12.677 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.324 6.377 12.724 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.181 3.344 11.432 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.891 2.751 12.231 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.642 4.019 10.358 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.022 4.454 9.707 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.087 3.982 10.122 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.408 2.924 9.076 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.867 1.687 9.535 1.00 0.00 A0 O -ATOM 324 HG SER A 36 39.961 1.060 8.835 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.752 5.304 9.786 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.349 9.330 1.00 0.00 A0 O -ATOM 327 N ASN A 37 39.986 6.382 10.042 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.069 6.286 10.424 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.553 7.703 9.797 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.595 8.578 8.990 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.537 8.093 7.560 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.880 7.113 7.233 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.262 8.850 6.720 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.787 9.636 7.047 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.287 8.633 5.746 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.942 8.434 11.057 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.197 8.533 12.025 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.165 8.975 10.954 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.706 8.834 10.126 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.606 9.932 11.955 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.703 12.237 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.670 10.669 13.253 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.948 11.217 13.014 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.938 11.010 14.411 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.481 12.156 13.916 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.473 11.954 15.304 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.722 12.545 15.036 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.297 11.327 11.461 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.816 11.785 10.454 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.389 11.952 12.219 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.998 11.528 13.030 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.919 13.261 11.841 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.566 13.196 11.150 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.746 14.073 13.073 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.280 13.654 14.115 1.00 0.00 A0 O -ATOM 356 N VAL A 40 41.177 15.304 12.873 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.409 15.656 11.979 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.868 16.355 13.792 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.099 16.881 14.492 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.868 15.598 14.796 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 43.218 17.376 13.621 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.354 17.378 12.895 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.901 17.624 11.840 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.295 17.937 13.431 1.00 0.00 A0 N -ATOM 365 H GLY A 41 39.027 17.336 14.181 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.925 19.324 13.248 1.00 0.00 A0 C -ATOM 367 C GLY A 41 40.131 20.233 13.250 1.00 0.00 A0 C -ATOM 368 O GLY A 41 41.033 20.136 14.058 1.00 0.00 A0 O -ATOM 369 N ALA A 42 40.111 21.113 12.265 1.00 0.00 A0 N -ATOM 370 H ALA A 42 39.193 21.228 11.878 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 41.209 22.066 12.057 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 42.122 21.575 10.928 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.577 23.408 11.706 1.00 0.00 A0 C -ATOM 374 O ALA A 42 41.181 24.377 11.241 1.00 0.00 A0 O -ATOM 375 N ALA A 43 39.261 23.345 11.996 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.815 22.645 11.427 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.739 23.577 13.344 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.499 24.370 12.816 1.00 0.00 A0 C -ATOM 379 C ALA A 43 38.580 22.247 14.320 1.00 0.00 A0 C -ATOM 380 O ALA A 43 37.471 21.718 14.186 1.00 0.00 A0 O -ATOM 381 N PRO A 44 39.284 22.018 15.623 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 38.802 23.247 16.216 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 40.199 21.080 16.663 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 39.315 21.559 17.759 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 38.228 22.572 17.467 1.00 0.00 A0 C -ATOM 386 C PRO A 44 41.161 19.868 17.546 1.00 0.00 A0 C -ATOM 387 O PRO A 44 41.262 20.267 18.647 1.00 0.00 A0 O -ATOM 388 N HIS A 45 41.906 18.547 17.476 1.00 0.00 A0 N -ATOM 389 H HIS A 45 42.486 18.423 16.705 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 42.043 17.278 18.526 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 40.662 16.698 18.534 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 39.584 17.412 17.776 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 38.525 18.047 18.281 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 38.086 17.971 19.129 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 39.434 17.572 16.430 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 38.310 18.308 16.196 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 37.742 18.612 17.353 1.00 0.00 A0 C -ATOM 398 C HIS A 45 43.087 15.749 18.626 1.00 0.00 A0 C -ATOM 399 O HIS A 45 43.371 15.488 17.496 1.00 0.00 A0 O -ATOM 400 N SER A 46P 43.685 14.678 19.591 1.00 0.00 A0 N -ATOM 401 H SER A 46P 43.853 15.292 20.287 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 44.481 13.269 19.843 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 44.956 12.815 21.153 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 46.199 11.962 21.319 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 46.329 11.656 22.232 0.00 0.00 A0 H -ATOM 406 C SER A 46P 44.295 11.668 19.659 1.00 0.00 A0 C -ATOM 407 O SER A 46P 44.626 10.563 20.062 1.00 0.00 A0 O -ATOM 408 N PRO A 46 42.552 12.468 25.830 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 41.662 13.601 25.624 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 41.789 11.367 25.794 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 41.317 12.000 24.350 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 40.685 13.212 24.608 1.00 0.00 A1 C -ATOM 413 C PRO A 46 42.508 10.061 26.513 1.00 0.00 A1 C -ATOM 414 O PRO A 46 41.702 9.899 27.385 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 43.673 9.083 26.533 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 43.475 8.433 27.251 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 44.935 8.234 26.270 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 44.802 6.658 25.977 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 45.515 5.504 26.613 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 46.597 5.122 25.829 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 45.118 4.862 27.810 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 47.416 4.124 26.345 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 45.955 3.835 28.280 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 47.137 3.508 27.584 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 45.825 8.472 27.389 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 45.734 8.167 28.538 1.00 0.00 A1 O -ATOM 427 N PHE A 47 35.176 12.233 26.332 1.00 0.00 A2 N -ATOM 428 H PHE A 47 35.512 11.314 26.078 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 36.226 13.249 26.062 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 35.270 14.331 25.399 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 35.204 15.191 24.029 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 34.176 15.004 23.112 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 35.883 16.415 23.798 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 33.486 16.116 22.614 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 35.249 17.602 23.456 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 33.905 17.380 23.099 1.00 0.00 A2 C -ATOM 437 C PHE A 47 37.210 13.578 27.234 1.00 0.00 A2 C -ATOM 438 O PHE A 47 36.471 14.039 28.077 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 38.689 13.394 27.383 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 38.614 12.723 26.651 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 39.816 13.633 28.560 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 41.519 13.502 28.748 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 42.167 14.089 30.116 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 42.465 12.318 28.769 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 39.631 14.841 29.355 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 38.828 14.808 30.260 1.00 0.00 A2 O -ATOM 447 N LEU A 48 36.052 22.721 19.108 1.00 0.00 A3 N -ATOM 448 H LEU A 48 36.621 23.559 19.150 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 35.170 22.401 20.172 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.474 20.956 20.518 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 34.735 19.831 19.866 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 34.502 19.850 18.326 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.332 18.703 20.619 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.530 23.402 21.256 1.00 0.00 A3 C -ATOM 455 O LEU A 48 34.873 24.413 21.466 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.669 23.104 21.889 1.00 0.00 A3 N -ATOM 457 H HIS A 49 37.159 22.247 21.752 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 37.197 24.087 22.811 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.336 23.444 24.194 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 36.032 22.983 24.819 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.993 21.977 25.710 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.773 21.450 25.990 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.740 23.500 24.663 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.920 22.792 25.478 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.688 21.855 26.125 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.526 24.722 22.399 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.947 25.644 23.095 1.00 0.00 A3 O -ATOM 468 N ARG A 50 39.176 24.163 21.315 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.665 23.637 20.625 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 40.599 24.463 21.035 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.486 24.410 22.293 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 41.325 23.173 23.185 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.614 22.403 23.474 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.226 21.079 23.955 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.380 20.644 23.643 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 43.007 20.325 24.739 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 44.223 20.723 25.115 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.786 20.110 25.669 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 44.586 21.616 24.845 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.540 19.140 25.122 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.105 18.533 25.682 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.635 18.829 24.835 0.00 0.00 A3 H -ATOM 483 C ARG A 50 41.256 23.549 20.003 1.00 0.00 A3 C -ATOM 484 O ARG A 50 41.392 22.367 20.268 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.682 24.149 18.855 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.308 25.065 18.788 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 42.222 23.466 17.648 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 41.905 24.053 16.269 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 41.445 25.429 15.930 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.529 25.667 14.546 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.063 26.876 14.032 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 40.935 26.365 16.846 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 40.434 27.570 16.326 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.506 27.802 14.932 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.005 28.974 14.410 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.544 29.452 15.086 0.00 0.00 A3 H -ATOM 497 C TYR A 51 43.590 22.899 17.266 1.00 0.00 A3 C -ATOM 498 O TYR A 51 44.659 23.284 17.711 1.00 0.00 A3 O -ATOM 499 N TYR A 52 43.443 22.035 16.213 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.561 21.601 16.041 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.428 21.935 15.138 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.245 20.639 14.349 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.445 20.348 13.470 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.742 20.699 13.905 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.356 13.114 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.226 19.700 12.239 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.329 19.339 11.455 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.620 19.667 11.907 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.691 19.295 11.130 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.389 18.764 10.405 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.446 23.121 14.183 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.578 23.352 13.352 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.552 23.845 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.152 23.543 15.106 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.916 24.991 13.547 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.155 26.199 14.453 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.914 26.602 15.251 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.298 27.583 16.337 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.961 27.240 17.308 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.841 28.830 16.128 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.296 29.053 15.320 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.043 29.554 16.788 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.165 24.689 12.737 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.287 24.806 13.215 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.903 24.286 11.477 1.00 0.00 A3 N -ATOM 526 H ARG A 54 45.948 24.231 11.186 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.963 23.877 10.546 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.323 23.469 9.225 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.593 22.136 9.342 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.632 21.895 8.184 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.499 22.808 8.283 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.342 23.325 9.124 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.599 22.905 7.286 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.755 22.250 6.134 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 43.062 22.338 5.419 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.556 21.672 5.976 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.530 23.672 7.469 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.846 23.758 6.746 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.412 24.163 8.333 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.072 24.883 10.289 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.234 24.530 10.127 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.638 26.160 10.280 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.658 26.323 10.370 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.552 27.290 10.110 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.770 28.602 9.912 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.052 29.197 11.139 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.622 28.703 11.296 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.302 27.525 11.211 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.757 29.702 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.074 30.648 11.615 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.783 29.511 11.662 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.626 27.457 11.179 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.692 28.007 10.930 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.291 26.946 12.383 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.416 26.479 12.503 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.239 27.031 13.494 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.496 27.253 14.813 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.568 28.472 14.823 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.860 28.611 16.170 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.285 29.768 14.434 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.184 25.847 13.628 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.970 25.763 14.564 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.069 24.934 12.643 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.408 25.054 11.904 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.955 23.777 12.646 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.129 22.492 12.644 1.00 0.00 A3 C -ATOM 567 OG SER A 57 53.004 21.363 12.584 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.458 20.594 12.668 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.933 23.790 11.489 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.562 23.762 10.322 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.216 23.806 11.899 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.408 23.850 12.878 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.322 23.729 10.945 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.630 24.140 11.633 1.00 0.00 A3 C -ATOM 575 OG SER A 58 57.951 23.217 12.680 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.796 23.478 13.024 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.490 22.391 10.237 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.140 22.297 9.203 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.868 21.362 10.847 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.327 21.503 11.676 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.951 20.029 10.255 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.359 19.016 11.325 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.582 19.203 12.513 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.855 18.538 13.131 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.852 19.118 11.641 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.717 19.566 9.493 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.683 18.462 8.964 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.713 20.469 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.773 21.330 9.935 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.554 20.197 8.576 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.449 21.229 8.877 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.323 21.165 7.867 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.433 20.070 7.876 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.435 19.999 6.889 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.221 22.203 6.919 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.220 22.135 5.938 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.341 21.034 5.936 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.354 20.969 4.974 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.469 21.673 4.349 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.893 20.134 7.090 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.658 20.931 6.562 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.259 19.126 6.455 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.673 18.514 6.985 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.397 18.943 5.011 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.303 17.756 4.683 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.721 17.857 5.239 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.561 16.644 4.853 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.899 16.735 5.430 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.245 17.606 5.779 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.704 15.653 5.453 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.296 14.471 4.990 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 57.919 13.689 5.018 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.376 14.355 4.616 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.931 15.770 5.950 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.536 14.974 5.971 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.251 16.650 6.301 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.059 18.703 4.345 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.412 17.692 4.572 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.685 19.665 3.483 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.255 20.478 3.366 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.451 19.490 2.714 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.086 20.832 2.057 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.650 20.880 1.553 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.802 20.164 2.083 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.386 21.649 0.631 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.524 18.364 1.688 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.435 18.306 0.872 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.512 17.473 1.776 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.798 17.586 2.467 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.431 16.403 0.777 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.851 15.116 1.370 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.819 14.316 2.246 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.144 13.078 2.840 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.100 13.944 1.496 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.674 16.741 -0.498 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.618 15.936 -1.420 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.099 17.968 -0.506 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.216 18.566 0.287 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.352 18.491 -1.659 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.284 18.912 -2.806 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.623 19.461 -2.312 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.430 20.210 -3.376 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.765 21.451 -3.782 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.310 21.513 -4.671 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.728 22.533 -2.970 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.288 22.529 -1.759 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.235 23.345 -1.185 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.756 21.713 -1.418 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.112 23.633 -3.390 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.070 24.433 -2.792 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.693 23.663 -4.298 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.216 17.615 -2.163 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.014 17.421 -3.357 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.495 17.080 -1.161 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.744 17.287 -0.215 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.430 16.123 -1.437 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.038 14.718 -1.484 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.121 13.659 -2.091 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.812 12.302 -2.201 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.922 11.271 -2.892 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.642 9.996 -3.004 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.999 9.275 -3.388 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.455 10.112 -3.642 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.978 9.700 -2.065 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.351 16.218 -0.378 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.645 16.365 0.798 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.089 16.134 -0.841 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.912 16.003 -1.816 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 39.998 16.163 0.132 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.627 14.795 0.675 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.107 13.763 0.222 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.733 14.856 1.682 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.442 15.749 2.028 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.264 13.631 2.331 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.322 13.158 3.353 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.573 14.218 4.428 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 39.037 11.769 3.934 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.901 13.847 2.974 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.579 14.942 3.412 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.121 12.751 3.017 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.402 11.922 2.535 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.894 12.777 3.813 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.711 13.366 3.017 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.256 12.442 1.910 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.185 11.562 2.167 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.784 10.666 1.165 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.914 12.475 0.665 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.511 11.582 -0.339 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.458 10.683 -0.072 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.074 9.789 -1.049 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.583 9.937 -1.834 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.567 11.406 4.377 1.00 0.00 A3 C -ATOM 693 O TYR A 68 34.849 10.388 3.756 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.964 11.426 5.584 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.775 12.292 6.044 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.587 10.149 6.195 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.565 9.712 7.305 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.191 8.334 7.862 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 36.016 9.684 6.829 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.167 10.145 6.736 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.863 10.750 7.757 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.305 9.392 6.007 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.555 8.818 4.686 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.959 9.108 6.507 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.202 8.900 5.193 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.212 8.236 4.251 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.932 7.899 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.132 6.755 7.048 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.644 8.225 8.710 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.522 9.186 8.954 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.386 7.164 9.685 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.747 7.649 11.099 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.189 8.102 11.185 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.193 7.146 11.443 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.530 7.567 11.539 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.492 9.469 11.016 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.830 9.889 11.102 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.831 8.932 11.364 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.148 9.337 11.445 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.217 10.249 11.201 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.933 6.716 9.618 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.156 7.230 8.821 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.585 5.756 10.508 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.273 5.339 11.101 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.168 5.391 10.650 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.019 4.224 11.643 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.800 3.110 11.201 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.630 2.401 11.808 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.566 3.784 11.860 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.300 6.579 11.055 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.213 6.799 10.534 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.889 7.358 11.986 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.751 7.058 12.394 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.323 8.648 12.374 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.603 8.531 13.719 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.365 7.631 13.668 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.852 7.374 15.068 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.817 8.249 15.924 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.460 6.101 15.255 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.508 5.438 14.508 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.116 5.803 16.145 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.425 9.685 12.467 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.408 9.507 13.177 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.218 10.777 11.706 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.408 10.844 11.123 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.252 11.811 11.692 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.246 11.650 10.560 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.449 10.562 10.038 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.845 12.805 10.205 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.596 13.649 10.679 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.809 12.842 9.104 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.103 12.681 7.748 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 27.954 13.666 7.524 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.150 13.343 6.267 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.921 14.243 6.141 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.125 13.837 4.975 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.247 14.394 4.952 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.668 14.006 4.104 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.892 12.826 5.048 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.637 14.109 9.118 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.267 15.103 9.728 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.770 14.028 8.398 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.068 13.151 8.019 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.569 15.239 8.216 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.525 15.469 9.400 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.395 14.267 9.677 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.573 13.821 8.971 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.033 12.631 9.627 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.272 14.322 7.852 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.213 13.337 10.709 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.171 12.376 10.687 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.243 11.634 11.323 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.176 11.963 9.142 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.414 13.647 7.379 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.862 12.472 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.307 15.264 6.895 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.388 14.272 6.188 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.858 16.457 6.614 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.691 17.233 7.215 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.737 16.618 5.462 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.973 17.178 4.256 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.322 18.544 4.505 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.581 19.026 3.271 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.699 20.206 2.945 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.883 18.229 2.644 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.908 17.504 5.820 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.842 18.293 6.753 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.979 17.331 5.030 1.00 0.00 A3 N -ATOM 789 H GLY A 78 36.978 16.640 4.311 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.144 18.170 5.256 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.257 17.945 4.259 1.00 0.00 A3 C -ATOM 792 O GLY A 78 39.049 17.547 3.120 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.462 18.242 4.771 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.532 18.549 5.719 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.648 18.225 3.925 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.114 19.676 3.750 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.401 19.926 2.951 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.290 19.495 1.498 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.210 19.585 0.912 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.307 19.081 0.952 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.735 17.343 4.505 1.00 0.00 A3 C -ATOM 802 O GLU A 79 43.128 17.470 5.655 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.211 16.441 3.633 1.00 0.00 A3 N -ATOM 804 H LEU A 80 42.843 16.417 2.708 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.302 15.557 4.029 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.396 14.376 3.066 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.212 13.419 3.185 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.184 12.412 2.037 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.178 12.739 4.555 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.641 16.255 4.148 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.925 17.255 3.501 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.437 15.651 5.045 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.095 14.841 5.521 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.750 16.198 5.367 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.554 15.206 6.180 1.00 0.00 A3 C -ATOM 816 O GLY A 81 48.083 14.123 6.496 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.787 15.630 6.513 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.146 16.483 6.141 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.579 14.852 7.465 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.669 14.007 6.784 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.604 14.840 6.097 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.314 14.275 5.819 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.112 12.940 5.842 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.211 15.745 8.512 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.438 16.929 8.293 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.491 15.102 9.660 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.242 14.139 9.762 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.175 15.809 10.741 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.238 16.805 11.445 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.919 18.141 11.696 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.136 18.192 11.835 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.221 19.146 11.751 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.755 14.845 11.749 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.462 13.656 11.745 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.587 15.427 12.632 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.780 16.405 12.614 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.099 14.630 13.730 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.364 15.242 14.311 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.483 15.376 13.280 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.715 16.012 13.916 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.814 14.056 12.576 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.063 14.469 14.800 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.439 15.401 15.285 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.896 13.193 15.108 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.579 12.510 14.867 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.899 12.883 16.085 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.751 12.082 15.513 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.743 11.909 16.610 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.108 12.727 14.292 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.622 12.105 17.114 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.273 11.098 16.889 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.480 12.700 18.267 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.793 13.418 18.323 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.989 12.057 19.434 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.982 12.883 20.222 1.00 0.00 A3 C -ATOM 856 OG SER A 86 55.189 12.878 19.491 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.863 13.206 20.065 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.787 12.062 20.248 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.872 12.866 20.152 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.876 11.119 21.124 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.414 10.289 20.953 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 51.007 11.391 22.219 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 50.054 10.134 22.059 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 49.025 10.442 20.941 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 50.648 8.842 21.430 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 49.651 7.708 21.075 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.984 11.806 23.391 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.992 11.139 23.567 1.00 0.00 A3 O -ATOM 869 N PRO A 88 51.785 12.999 24.117 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 50.931 14.146 23.753 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 52.539 13.307 25.392 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 52.217 14.789 25.735 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.975 15.171 24.905 1.00 0.00 A3 C -ATOM 874 C PRO A 88 52.306 12.462 26.678 1.00 0.00 A3 C -ATOM 875 O PRO A 88 53.240 11.926 27.256 1.00 0.00 A3 O -ATOM 876 N HIS A 89 51.041 12.355 27.128 1.00 0.00 A3 N -ATOM 877 H HIS A 89 50.731 12.994 27.836 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.604 10.968 27.107 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 49.293 10.709 27.821 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 49.192 11.165 29.255 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.908 10.701 30.288 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.578 9.994 30.236 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.323 12.149 29.729 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.518 12.291 31.059 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.499 11.397 31.400 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.501 10.335 25.752 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.519 10.497 25.055 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.590 9.624 25.430 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.403 10.157 25.587 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.664 8.491 24.514 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.796 7.529 24.730 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.519 7.732 25.690 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.008 6.505 23.834 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.284 6.066 22.648 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.225 5.715 24.023 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.028 4.508 23.091 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.591 4.577 22.575 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.389 6.617 23.656 1.00 0.00 A3 C -ATOM 899 O PRO A 91 55.162 7.718 23.166 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.619 6.172 23.964 1.00 0.00 A3 N -ATOM 901 H ASN A 92 56.774 5.228 24.260 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.664 7.198 23.897 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.658 6.982 25.040 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.521 8.214 25.201 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.050 9.317 25.451 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.821 7.957 24.986 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 61.100 7.017 24.795 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.512 8.679 24.992 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.320 7.415 22.534 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.531 7.332 22.361 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.416 7.707 21.574 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.449 7.777 21.793 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.732 7.864 20.164 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.495 6.541 19.422 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.508 5.468 19.832 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.049 6.053 19.590 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.877 8.956 19.544 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.833 9.353 20.051 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.399 9.390 18.388 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.289 9.029 18.118 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.707 10.337 17.522 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.449 11.679 17.565 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.575 12.119 18.922 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.843 13.028 18.901 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.790 12.762 16.706 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.685 9.770 16.113 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.672 9.219 15.642 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.509 9.911 15.471 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.763 10.395 15.919 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.345 9.385 14.115 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.542 8.069 14.094 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.302 6.935 14.776 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.126 8.222 14.657 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.696 10.380 13.177 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.826 11.152 13.547 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.136 10.297 11.914 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.870 9.665 11.672 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.396 11.049 10.907 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.337 11.486 9.786 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.622 12.295 8.704 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.584 12.967 7.725 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.381 13.998 8.392 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.287 13.783 8.759 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.886 15.242 8.575 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.675 15.580 8.136 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.332 16.507 8.283 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.103 14.913 7.657 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.624 16.150 9.206 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.260 17.071 9.342 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.537 15.919 9.543 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.194 10.284 10.383 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.310 9.247 9.745 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.021 10.859 10.697 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.987 11.712 11.216 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.802 10.174 10.288 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.023 9.700 11.515 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.898 11.042 9.444 1.00 0.00 A3 C -ATOM 958 O ALA A 97 49.989 12.264 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 48.996 10.328 8.742 1.00 0.00 A3 N -ATOM 960 H ASN A 98 49.013 9.329 8.780 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 47.937 11.032 8.022 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.256 10.119 7.002 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.224 9.684 5.920 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.923 10.479 5.305 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.207 8.358 5.708 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.605 7.776 6.254 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.779 7.933 5.007 0.00 0.00 A3 H -ATOM 968 C ASN A 98 46.892 11.604 8.959 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.455 10.973 9.913 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.541 12.860 8.630 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.934 13.267 7.810 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.576 13.615 9.425 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.251 14.639 10.360 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.215 15.284 11.289 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.417 14.052 11.159 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 48.057 15.066 12.105 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.618 14.342 8.507 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.009 15.066 7.599 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.332 14.117 8.813 1.00 0.00 A3 N -ATOM 980 H ALA A 100 43.101 13.520 9.578 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.298 14.859 8.115 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.128 13.945 7.777 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.800 16.021 8.936 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.192 15.877 9.984 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.101 17.192 8.372 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.626 17.185 7.525 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.687 18.461 8.944 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.607 19.528 8.369 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.238 18.813 8.641 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.915 19.294 7.566 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.382 18.548 9.649 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.749 18.237 10.518 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 37.940 18.761 9.511 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.170 18.072 10.656 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.660 18.324 10.605 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.516 16.582 10.757 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.964 15.928 12.028 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.575 20.230 9.415 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.777 21.036 10.315 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.016 20.514 8.233 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.896 19.779 7.569 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.546 21.863 7.945 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.995 22.270 6.540 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.505 21.341 5.566 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.835 21.631 4.726 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.521 22.369 6.460 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.048 22.039 8.130 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.586 23.083 8.574 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.313 20.958 7.789 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.753 20.144 7.409 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.870 20.967 8.032 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.067 21.218 6.752 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.236 22.611 6.135 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.326 22.815 4.931 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.551 23.777 4.198 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.396 22.033 4.726 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.411 19.663 8.639 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.989 18.613 8.398 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.331 19.783 9.431 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.955 20.686 9.634 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.758 18.578 10.027 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.472 18.219 11.334 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.325 19.287 12.271 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.738 18.997 13.072 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.264 18.687 10.248 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.683 19.766 10.272 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.680 17.488 10.405 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.242 16.664 10.373 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.238 17.374 10.574 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.573 17.134 9.208 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.049 17.142 9.265 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.435 16.661 8.315 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.478 17.625 10.244 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.928 16.261 11.549 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.122 15.088 11.259 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.443 16.710 12.729 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.310 17.694 12.846 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.091 15.794 13.821 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.802 15.027 13.503 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.588 15.940 13.313 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.312 15.160 12.981 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.307 14.533 11.582 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.148 15.584 10.565 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.153 15.153 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.243 16.074 10.715 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.927 16.268 10.641 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.194 14.843 14.260 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.958 13.694 14.613 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.425 15.390 14.199 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.556 16.355 13.972 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.570 14.569 14.564 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.650 14.721 13.476 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.857 13.843 13.725 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 31.735 12.435 13.740 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.101 14.469 13.940 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 32.876 11.646 13.992 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.242 13.684 14.190 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.116 12.280 14.217 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.034 14.874 15.979 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.132 13.987 16.818 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.266 16.183 16.204 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.257 16.798 15.415 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.617 16.688 17.536 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.457 17.974 17.314 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.646 17.755 16.369 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.735 18.508 15.175 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.661 16.821 16.691 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 33.848 18.360 14.321 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 34.777 16.674 15.839 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 34.873 17.461 14.673 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.419 16.826 18.518 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.313 17.199 18.142 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 29.692 16.453 19.800 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.626 16.211 20.053 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.658 16.341 20.848 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.654 14.908 21.441 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.451 14.729 22.377 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.729 13.787 20.390 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.938 12.391 20.991 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 28.838 17.359 21.995 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 29.715 17.192 22.836 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 27.956 18.402 22.003 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.284 18.435 21.262 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.036 19.558 22.927 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.655 20.251 23.027 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.766 21.744 23.336 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.817 22.258 23.701 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.611 22.424 23.167 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.768 21.985 22.855 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.570 23.406 23.359 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.664 19.321 24.306 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.086 18.720 25.200 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 19.830 24.385 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.067 20.528 23.689 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.842 19.706 25.517 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.241 18.367 26.121 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 30.707 18.076 27.174 1.00 0.00 A3 O -ATOM 1098 N SER A 113 32.197 17.622 25.509 1.00 0.00 A3 N -ATOM 1099 H SER A 113 32.084 17.646 24.519 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.841 16.574 26.348 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.029 15.250 25.996 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 32.364 14.352 24.907 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 31.954 14.607 24.084 0.00 0.00 A3 H -ATOM 1104 C SER A 113 34.359 16.560 27.076 1.00 0.00 A3 C -ATOM 1105 O SER A 113 34.186 16.253 28.262 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 35.678 16.923 26.424 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 35.700 17.626 25.712 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 37.197 16.725 26.447 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 37.456 16.634 27.965 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.948 17.802 28.787 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 38.271 17.520 29.937 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 38.080 18.995 28.174 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.357 19.144 27.501 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.828 19.619 28.404 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 38.209 16.033 25.231 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 39.291 16.515 25.025 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 37.897 14.812 24.452 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 37.069 14.328 24.297 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 38.129 14.052 23.143 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 37.372 12.624 22.742 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.890 12.453 22.258 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 35.227 12.708 20.987 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.803 12.614 21.177 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.711 13.013 19.707 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.814 12.140 23.095 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.595 12.260 22.487 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.693 12.269 22.882 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.905 12.881 20.124 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.815 13.250 18.646 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.423 13.211 18.859 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.686 14.664 21.927 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 36.539 14.976 21.642 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.726 14.803 21.193 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.670 14.591 21.405 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.245 15.929 20.533 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 38.494 17.126 21.522 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.773 18.495 21.092 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.826 19.218 21.742 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 39.536 20.408 21.773 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.846 18.624 22.111 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 37.740 15.645 19.105 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 36.679 16.123 18.715 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.532 14.741 18.450 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 39.442 14.504 18.820 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 38.268 14.294 17.088 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.181 12.779 16.962 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 37.507 12.161 17.760 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 38.837 12.143 15.955 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.388 12.542 15.228 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.731 10.678 15.961 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.426 10.301 15.257 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.442 10.772 13.802 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.027 8.845 15.461 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.629 8.639 14.890 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 39.972 9.908 15.466 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.653 10.308 14.532 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.246 8.787 16.185 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.636 8.523 16.925 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.333 7.858 15.870 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.298 7.588 17.047 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.566 6.829 16.636 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.366 7.696 15.695 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.431 6.313 17.792 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.730 6.545 15.452 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.336 5.704 16.255 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.703 6.420 14.122 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 41.056 7.151 13.540 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.284 5.139 13.586 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.375 4.097 13.707 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.444 4.208 13.121 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 41.043 3.090 14.532 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.132 3.059 14.938 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 42.001 2.028 14.826 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.923 1.667 16.305 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.491 2.758 17.204 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.159 2.506 18.671 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.995 2.911 16.984 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.872 0.773 13.987 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.674 -0.144 14.104 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.832 0.772 13.131 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.222 1.560 13.080 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.660 -0.358 12.223 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.182 -0.491 11.837 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.557 -0.266 10.995 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.414 0.604 10.895 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.341 -1.229 10.077 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.567 -1.854 10.166 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.287 -1.402 8.973 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.307 -2.861 8.514 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.636 -3.805 9.648 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.586 -4.349 10.416 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.889 -5.278 11.423 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.985 -4.135 9.889 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.288 -5.063 10.899 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.235 -5.633 11.642 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.525 -6.573 12.610 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.453 -6.767 12.605 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.048 -0.515 7.767 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.976 0.038 7.566 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.124 -0.435 6.955 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.955 -0.922 7.222 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.147 0.406 5.754 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.447 0.177 4.980 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.990 0.269 4.781 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.623 1.219 4.103 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.429 -0.958 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.788 -1.669 5.361 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.338 -1.282 3.835 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 40.049 -2.783 3.957 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.166 -3.378 2.850 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.222 -4.902 2.823 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.770 -5.471 1.832 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.722 -5.518 3.766 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.082 -0.416 3.928 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.381 -0.208 2.945 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.847 0.106 5.151 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.464 -0.084 5.914 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.703 1.006 5.312 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.771 0.509 6.423 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.093 -0.803 6.020 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.502 0.402 7.763 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.569 0.151 8.944 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.037 2.482 5.508 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.190 3.277 5.900 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.308 2.818 5.202 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 39.962 2.125 4.906 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.691 4.228 5.238 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.210 4.376 5.353 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.217 5.003 4.024 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.077 4.478 2.926 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.969 6.294 4.302 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.103 6.631 5.232 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.568 7.213 3.242 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.330 7.994 3.688 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 36.102 7.112 3.931 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.661 6.354 2.677 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.395 5.654 2.892 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.350 4.830 3.457 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.261 6.134 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.264 7.252 1.609 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.412 7.583 1.204 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.111 7.765 1.465 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.116 5.479 2.516 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.275 5.830 2.105 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.093 4.638 3.058 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.719 8.141 2.885 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.521 8.480 3.743 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.813 8.547 1.590 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.877 9.443 1.143 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.882 8.187 0.506 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.253 9.205 -0.579 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.742 9.474 -0.371 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.956 6.737 0.032 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 37.992 6.198 -0.497 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.142 6.136 0.271 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.884 6.669 0.676 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.368 4.731 -0.065 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.645 4.549 -1.573 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.731 5.479 -2.089 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.861 5.388 -1.621 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.440 6.288 -2.968 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.449 4.110 0.809 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 41.995 4.753 1.698 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.732 2.824 0.504 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.217 2.358 -0.214 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.730 2.079 1.279 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.574 0.560 1.047 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.884 0.078 -0.369 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.463 0.819 -1.164 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.545 -1.066 -0.667 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.196 2.498 1.207 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.036 1.938 1.901 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.472 3.498 0.341 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.736 3.975 -0.137 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.854 3.976 0.246 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.158 4.505 -1.161 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.556 5.790 -1.352 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.515 5.941 -2.287 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.248 4.992 1.306 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.413 5.341 1.457 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.209 5.437 2.043 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.279 5.116 1.866 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.465 6.288 3.197 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.285 7.232 3.427 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.411 4.325 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.460 9.461 3.555 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.445 9.002 5.038 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.732 5.463 4.440 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.819 4.984 5.102 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.047 5.330 4.709 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.708 5.755 4.091 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.524 4.552 5.854 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.058 4.501 5.803 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.705 3.625 6.882 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.206 3.548 6.678 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.664 2.577 6.079 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.913 4.447 7.130 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 47.026 5.065 7.200 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.326 6.180 7.608 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.240 4.190 7.888 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.782 2.878 7.445 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.742 4.528 9.227 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.891 3.312 9.612 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.543 2.630 8.294 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.864 4.763 10.218 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.995 4.337 10.015 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.486 5.472 11.298 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.540 5.787 11.371 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.474 5.816 12.323 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.810 6.662 13.414 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.750 6.953 14.568 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.645 8.041 14.484 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.722 6.118 15.710 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.534 8.288 15.548 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.363 16.773 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.512 7.444 16.679 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.234 4.646 12.924 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.446 4.711 13.068 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.472 3.587 13.276 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.483 3.597 13.127 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.131 2.444 13.912 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.100 1.486 14.522 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.730 0.684 15.642 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.841 1.261 16.926 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.197 -0.625 15.391 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.427 0.520 17.971 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.783 -1.367 16.436 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.895 -0.786 17.716 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.118 1.701 13.026 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.130 1.193 13.488 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.787 1.703 11.717 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.927 2.113 11.415 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.149 10.731 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.032 0.988 9.372 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.922 -0.042 9.435 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.173 -1.193 9.081 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.808 0.310 9.819 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 51.005 1.944 10.570 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.076 1.377 10.401 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.844 3.284 10.661 1.00 0.00 A3 N -ATOM 1341 H SER A 139 49.927 3.663 10.772 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.005 4.181 10.653 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.566 5.645 10.551 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.747 5.839 9.397 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.646 6.775 9.292 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.917 4.030 11.856 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.134 4.061 11.744 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.252 3.847 13.015 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.254 3.834 12.998 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.947 3.650 14.285 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.909 3.608 15.411 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.472 3.440 16.825 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.342 4.619 17.259 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.353 3.162 17.823 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.839 2.421 14.310 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 55.013 2.497 14.639 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.220 1.289 13.919 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.263 1.327 13.636 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.957 0.024 13.864 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.964 -1.124 13.605 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.629 -2.484 13.369 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.969 -1.205 14.763 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.104 0.025 12.860 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.173 -0.523 13.105 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.827 0.696 11.724 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.944 1.152 11.613 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.830 0.763 10.662 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.158 1.201 9.359 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.774 0.552 8.120 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 55.043 0.926 6.830 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.623 0.200 5.614 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.910 0.618 4.399 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.334 0.151 3.572 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.907 0.352 4.470 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.989 1.650 4.293 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 57.047 1.622 10.972 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.162 1.328 10.559 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.772 2.700 11.731 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.849 2.847 12.086 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.845 3.640 12.051 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.316 5.071 11.985 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.844 5.443 10.580 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.150 6.785 10.615 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.552 7.713 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 55.068 6.832 9.822 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.794 6.038 9.280 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.524 7.667 9.765 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.561 3.409 13.370 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.610 3.989 13.620 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.947 2.544 14.208 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.083 2.112 13.952 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.548 2.284 15.519 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.758 2.984 16.637 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.471 2.388 16.809 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.060 2.829 17.540 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.620 4.485 16.389 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.705 0.800 15.814 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.434 -0.050 14.975 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.144 0.532 17.064 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.359 1.270 17.704 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.183 -0.861 17.510 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.450 -1.157 18.315 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.201 17.434 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.894 -0.830 17.866 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 63.112 -0.498 18.762 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.781 -1.632 16.107 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.083 -1.515 15.746 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.767 -1.022 16.827 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.980 -1.313 18.318 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.986 -2.401 18.882 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.946 -0.441 18.343 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 57.021 0.442 17.881 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.688 -0.806 19.002 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.729 0.401 19.000 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.322 0.065 19.506 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.328 1.559 19.801 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.044 -2.027 18.361 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.731 -2.037 17.176 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.868 -3.077 19.211 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.289 -3.150 20.608 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.221 -4.311 18.753 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.217 -5.183 20.014 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.344 -4.644 20.891 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.835 -4.075 18.180 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.147 -3.127 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.494 -4.972 17.235 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.097 -5.750 17.061 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.262 -4.797 16.468 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.452 -5.407 15.074 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.350 -4.970 14.128 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.794 -3.884 14.231 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.050 -5.902 13.208 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.568 -6.755 13.161 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.303 -5.755 12.559 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.009 -5.317 17.157 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.392 -6.286 16.735 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.672 -4.591 18.237 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.250 -3.819 18.495 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.458 -4.856 19.004 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.449 -6.239 19.693 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.319 -6.465 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 48.916 -7.757 21.649 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.820 -6.456 20.656 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.203 -3.760 20.012 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.104 -3.045 20.431 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.919 -3.683 20.386 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.236 -4.259 19.938 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.539 -2.785 21.470 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.209 -1.371 20.953 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.017 -1.354 20.019 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.208 -1.583 18.639 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.732 -1.097 20.547 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.098 -1.558 17.773 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.622 -1.072 19.682 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.816 -1.305 18.304 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.399 -3.390 22.253 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.763 -4.315 21.778 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.154 -2.841 23.453 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.749 -2.147 23.857 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 43.989 -3.332 24.181 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.384 -4.408 25.198 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.682 -4.158 25.732 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 45.801 -4.775 26.441 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.163 -2.220 24.791 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.608 -1.091 24.923 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 41.913 -2.588 25.122 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.617 -3.525 24.956 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 40.961 -1.600 25.626 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 39.952 -1.216 24.542 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.490 -0.259 23.482 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.541 -0.134 22.297 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 40.750 1.114 24.080 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.211 -2.079 26.851 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.470 -3.052 26.829 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.430 -1.300 27.921 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.031 -0.511 27.817 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.684 -1.475 29.162 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.649 -1.443 30.352 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 39.977 -1.637 31.718 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.855 -1.080 32.824 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.467 -0.026 32.696 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.883 -1.845 33.930 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.348 -2.688 33.986 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.446 -1.575 34.712 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.690 -0.340 29.285 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.005 0.730 29.779 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.468 -0.605 28.805 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.253 -1.489 28.394 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.473 0.454 28.972 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.489 0.500 27.797 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.149 0.459 26.411 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.144 0.756 25.299 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.354 1.376 26.286 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.737 0.279 30.278 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.220 -0.790 30.568 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.739 1.365 31.066 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.185 2.198 30.743 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.071 1.278 32.366 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.013 1.592 33.529 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.566 0.670 33.528 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.896 2.216 32.476 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.952 3.364 32.057 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.833 1.669 33.092 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.921 0.752 33.481 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.626 2.472 33.282 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.757 3.522 34.372 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.796 4.147 34.553 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.633 3.683 35.095 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.826 3.122 34.910 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.643 4.650 36.189 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.226 5.148 36.474 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.241 4.095 37.468 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.322 4.471 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.790 11.243 33.543 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.778 11.201 33.391 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.104 10.259 34.377 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.595 10.335 34.151 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.309 10.095 32.770 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.376 10.219 32.665 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.595 8.834 34.217 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.591 8.058 35.166 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.026 8.511 32.980 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.112 9.187 32.247 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.532 7.144 32.893 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 32.892 6.336 31.722 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.413 6.116 32.011 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 32.822 6.952 30.348 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.044 7.010 33.160 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.618 7.945 33.708 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.640 5.826 32.829 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.012 5.112 32.534 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.044 5.458 33.168 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.704 4.433 32.193 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 36.947 3.823 31.466 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.078 4.231 32.164 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.683 4.934 32.536 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.707 3.045 31.505 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.048 3.201 30.717 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.646 4.252 30.767 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.513 2.152 29.964 1.00 0.00 A4 N -ATOM 1541 H SER A 173 40.830 1.464 29.746 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.845 2.172 29.283 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.820 1.400 30.168 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.532 1.701 31.534 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.039 1.102 32.061 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.005 1.622 27.820 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.839 0.429 27.604 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.428 2.487 26.836 1.00 0.00 A4 N -ATOM 1549 H MET A 174 43.358 3.481 26.942 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 43.984 1.992 25.546 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 43.728 3.028 24.439 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 43.820 2.412 23.039 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 43.705 3.665 21.777 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.150 4.555 22.331 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.459 1.517 25.455 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.324 2.206 24.942 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 45.709 0.285 25.926 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 44.931 -0.169 26.350 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.067 -0.297 25.960 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.044 -1.649 26.686 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.455 -2.226 26.916 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.176 -1.578 27.947 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 46.900 -1.836 29.263 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.804 -0.479 24.629 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.624 -1.459 23.921 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.682 0.495 24.330 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 48.839 1.230 24.984 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.391 0.412 23.049 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.583 1.794 22.423 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.144 1.692 21.002 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.280 2.583 22.432 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.470 3.961 21.800 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.705 -0.346 23.084 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.669 0.009 23.752 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.668 -1.423 22.282 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.813 -1.631 21.807 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.835 -2.291 22.161 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.796 -3.546 23.010 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.770 -4.286 23.059 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.644 -3.771 23.681 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.867 -3.139 23.665 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.640 -5.011 24.453 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.395 -5.335 25.250 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.278 -4.945 24.931 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.693 -6.095 26.328 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.628 -6.438 26.410 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.710 -6.472 27.346 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.321 -7.957 27.179 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.326 -8.431 28.245 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.805 -8.248 25.766 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.674 -9.742 25.464 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.277 -6.227 28.743 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.362 -6.685 29.081 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.475 -5.491 29.541 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.609 -5.147 29.185 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.800 -5.334 30.959 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.633 -3.863 31.365 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.235 -3.467 32.706 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.629 -2.309 32.836 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.299 -4.290 33.617 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.928 -6.251 31.796 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.709 -6.136 31.843 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.650 -7.179 32.449 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.643 -7.172 32.333 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.015 -8.234 33.241 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.050 -9.307 33.582 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.448 -10.036 32.321 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.773 -11.097 31.847 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 47.982 -11.508 32.254 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.513 -9.756 31.459 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.469 -10.666 30.455 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.400 -11.491 30.693 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.256 -7.808 34.488 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.397 -8.532 34.976 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.595 -6.593 34.972 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.287 -6.035 34.516 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.875 -6.066 36.132 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.712 -4.991 36.835 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.781 -3.811 36.026 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.311 -3.183 36.498 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.462 -5.558 35.863 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.720 -5.255 36.789 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.131 -5.474 34.553 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.753 -5.840 33.863 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.815 -4.952 34.169 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 43.872 -4.065 32.920 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 44.723 -2.802 33.050 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.351 -1.791 31.973 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.613 -2.140 34.421 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.724 -5.979 33.952 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.611 -5.631 33.576 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.082 -7.254 34.200 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 44.014 -7.513 34.449 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 42.052 -8.277 34.067 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.890 -8.718 32.600 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.052 -9.552 32.110 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.214 -8.917 31.627 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.274 -9.708 31.157 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.928 -10.956 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.987 -11.746 31.679 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.144 -11.111 31.187 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.180 -11.889 30.716 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.961 -12.806 30.814 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.263 -9.457 34.993 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.346 -9.695 35.513 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.148 -10.189 35.152 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.301 -9.907 34.710 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.168 -11.430 35.914 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.279 -11.310 37.158 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.911 -11.112 36.785 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.410 -11.122 37.589 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.745 -10.185 38.086 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.720 -12.589 35.047 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.017 -12.419 34.057 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.174 -13.782 35.475 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.770 -13.826 36.276 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.830 -14.984 34.716 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.616 -15.129 33.427 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.689 -14.564 33.252 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.008 -15.922 32.526 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.127 -16.345 32.738 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.665 -16.144 31.239 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.518 -17.610 30.824 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 42.027 -18.459 31.857 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.865 -19.351 31.580 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.172 -15.241 30.124 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.016 -14.839 30.072 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.128 -14.975 29.209 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.060 -15.299 29.370 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.764 -14.371 27.926 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 42.959 -13.639 27.313 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.198 -12.214 27.815 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.618 -11.747 27.498 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.165 -11.231 27.258 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.263 -15.406 26.937 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.862 -16.455 26.731 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.119 -15.039 26.335 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.702 -14.166 26.581 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.509 -15.910 25.333 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.102 -16.312 25.764 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.149 -17.341 26.865 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.244 -18.773 26.720 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.262 -19.332 28.041 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.315 -19.619 25.592 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.112 -17.110 28.248 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.176 -18.277 28.945 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.163 -18.357 29.921 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.357 -20.729 28.208 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.407 -21.015 25.773 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.431 -21.565 27.073 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.450 -15.254 23.973 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 38.904 -14.172 23.804 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.054 -15.964 23.005 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.398 -16.886 23.180 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.189 -15.320 21.702 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.622 -15.433 21.176 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.622 -14.659 22.008 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.256 -15.285 23.102 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.233 -14.574 23.821 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.920 -13.332 21.641 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.899 -12.623 22.355 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.550 -13.257 23.432 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.527 -12.571 24.125 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.661 -11.715 23.739 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.217 -15.809 20.645 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.860 -16.978 20.557 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.831 -14.810 19.833 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.158 -13.888 20.030 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 38.006 -15.040 18.651 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.626 -14.375 18.837 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.757 -14.711 17.751 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.894 -14.397 17.987 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.681 -12.857 19.030 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.725 -14.513 17.421 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.320 -13.448 17.458 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.686 -15.288 16.312 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 38.088 -16.607 16.153 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.358 -14.819 15.095 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.170 -15.986 14.120 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.859 -17.206 14.985 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.798 -13.520 14.536 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.596 -13.280 14.535 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.749 -12.711 14.028 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.711 -12.959 14.123 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.336 -11.651 13.112 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.374 -10.516 13.038 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 39.932 -9.405 12.077 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.674 -9.946 14.425 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.820 -8.930 14.424 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 39.109 -12.256 11.742 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 40.031 -12.703 11.070 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.809 -12.262 11.385 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 37.137 -11.859 12.003 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.377 -12.871 10.128 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.852 -12.788 10.017 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.315 -13.655 8.878 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.819 -13.487 8.636 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.365 -14.423 7.611 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.839 -15.293 7.475 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.258 -14.169 6.887 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.031 7.031 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.756 -12.874 6.484 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 31.882 -12.331 7.678 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.839 -15.077 6.010 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.017 -14.903 5.468 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.343 -15.932 5.893 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.039 -12.273 8.897 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.533 -12.968 8.018 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.031 -10.928 8.916 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.587 -10.452 9.675 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.617 -10.158 7.826 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.565 -9.991 6.721 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 37.938 -9.084 5.545 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.760 -8.943 4.586 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.856 -7.728 3.779 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.722 -7.238 3.672 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.750 -7.265 3.157 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.578 -7.895 3.260 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.780 -7.531 2.782 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.486 -8.726 3.809 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.824 -6.157 2.427 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.010 -5.820 1.954 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.688 -5.659 2.350 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.115 -8.831 8.363 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.512 -8.225 9.241 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.266 -8.425 7.798 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.684 -8.970 7.070 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.895 -7.186 8.244 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.409 -7.342 8.126 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.914 -8.501 8.990 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.307 -8.895 8.550 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.441 -9.429 7.449 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.248 -8.680 9.311 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.391 -5.940 7.534 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 41.004 -5.419 6.610 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.234 -5.484 8.052 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.790 -6.019 8.772 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.630 -4.234 7.586 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.664 -4.460 6.395 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.480 -5.375 6.652 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.162 -5.270 6.074 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.373 -6.346 6.604 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.587 -4.363 5.158 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.411 -6.499 7.491 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.182 -7.070 7.468 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 34.918 -7.861 7.979 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.028 -6.495 6.207 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.240 -4.522 4.769 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.466 -5.582 5.290 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.070 -3.413 8.742 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.744 -2.534 9.260 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.853 -3.791 9.184 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.251 -4.373 8.644 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.489 -3.585 10.581 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.975 -3.716 10.759 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.158 -2.778 9.898 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.809 -1.512 10.409 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.998 -0.664 9.637 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.737 -3.207 8.622 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.931 -2.357 7.847 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.561 -1.102 8.370 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.744 -0.276 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.452 -0.729 6.844 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.148 -4.676 11.414 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.796 -5.572 10.885 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.919 -4.593 12.738 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.426 -3.821 13.138 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.274 -5.768 13.534 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.701 -5.356 14.945 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.045 -4.661 14.926 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.086 -3.259 15.063 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.331 -2.612 15.087 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.220 -5.430 14.791 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.467 -4.782 14.815 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.505 -3.381 14.966 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.723 -2.734 14.998 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.418 -3.334 14.767 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.156 -6.798 13.566 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.416 -6.930 14.534 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.070 -7.516 12.424 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.777 -7.410 11.725 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.975 -8.467 12.242 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.722 -8.733 10.748 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.365 -9.412 10.485 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.173 -9.887 9.052 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.087 -9.774 8.236 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.092 -10.397 8.761 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.186 -9.769 12.991 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.268 -10.337 13.004 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.199 13.623 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.267 -9.621 13.605 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.017 -11.474 14.332 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.061 -11.252 15.854 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.391 -10.628 16.279 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.865 -10.437 16.362 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.773 -12.259 13.942 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.901 -11.772 13.230 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.735 -13.504 14.460 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.510 -13.841 14.994 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.553 -14.337 14.237 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.906 -15.548 13.352 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.716 -16.493 13.153 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.466 -15.094 11.999 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.892 -16.254 11.096 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.894 -14.773 15.538 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.501 -15.395 16.400 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.596 -14.417 15.611 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.207 -13.891 14.859 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.740 -14.885 16.701 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.727 -13.797 17.093 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.874 -14.214 18.299 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.425 -12.454 17.323 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.447 -11.312 17.595 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.021 -16.172 16.332 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.304 -16.259 15.343 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.266 -17.180 17.185 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.827 -17.033 17.997 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.723 -18.501 16.883 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.836 -19.550 17.017 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 29.989 -19.211 16.070 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.335 -19.700 18.457 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.461 -18.905 17.640 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.807 -19.879 17.284 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.148 -18.110 18.691 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.731 -17.327 18.911 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 24.994 -18.413 19.546 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.308 -19.630 20.430 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.164 -20.186 21.286 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.611 -21.393 22.114 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.129 -22.446 21.242 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 24.982 -22.400 20.254 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.794 -23.510 21.737 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.011 -23.657 23.044 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.502 -24.464 23.372 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.688 -22.975 23.700 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.240 -24.433 20.890 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.730 -25.233 21.233 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 26.084 -24.326 19.907 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.627 -17.213 20.402 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.488 -16.461 20.835 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.307 -17.066 20.634 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.650 -17.687 20.207 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.873 -16.049 21.594 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.258 -14.817 20.894 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.849 -13.726 21.892 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.192 -14.220 19.840 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.886 -16.654 22.578 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 20.982 -17.385 22.199 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.110 -16.309 23.861 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.896 -15.741 24.096 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.158 -16.701 24.896 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.759 -17.753 25.830 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.235 -19.025 25.119 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.781 -20.030 26.118 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.444 -19.627 27.074 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.540 -21.221 25.931 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.712 -15.499 25.702 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.435 -14.523 25.844 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.476 -15.613 26.222 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.912 -16.405 26.001 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 18.951 -14.583 27.116 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.930 -13.692 26.379 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.302 -12.661 27.315 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.560 -12.995 25.166 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.589 -12.103 24.393 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.340 -15.254 28.335 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.339 -15.953 28.238 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.035 -15.037 29.478 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.799 -14.395 29.459 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.771 -15.787 30.715 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.424 -15.415 31.352 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.579 -14.273 32.338 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.672 -13.864 32.711 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.398 -13.776 32.747 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.538 -14.170 32.422 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.362 -13.001 33.377 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.901 -17.297 30.584 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.118 -18.064 31.131 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.939 -17.681 29.810 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.521 -16.993 29.377 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.166 -19.106 29.566 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.312 -19.748 28.481 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.411 -20.943 28.228 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.462 -18.907 27.857 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.443 -17.934 28.090 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.574 -19.433 26.823 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.172 -18.845 27.006 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.066 -19.560 26.219 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.103 -20.358 27.097 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.132 -20.911 26.594 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.372 -20.395 28.421 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.163 -19.975 28.865 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.736 -20.879 29.022 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.077 -19.133 25.427 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.234 -17.983 25.043 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.294 -20.225 24.667 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.134 -21.139 25.040 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.714 -20.045 23.275 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.996 -21.426 22.662 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 20.102 -21.406 21.615 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 20.152 -20.488 20.797 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.913 -22.330 21.619 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.680 -19.281 22.457 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.495 -19.590 22.493 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.187 -18.265 21.723 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.168 -18.083 21.730 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.304 -17.531 20.811 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 17.977 -16.283 20.228 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 17.938 -15.026 21.101 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.408 -13.806 20.305 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.557 -14.774 21.710 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.771 -18.362 19.660 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.745 -18.046 19.070 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.530 -19.449 19.385 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.356 -19.607 19.925 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.173 -20.422 18.354 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 15.983 -21.282 18.773 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.420 -22.426 19.677 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.295 -23.439 19.865 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.826 -24.796 20.323 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.769 -25.299 19.312 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.072 -26.261 19.563 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.309 -25.310 18.379 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.599 -24.673 19.275 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 16.970 -19.866 16.966 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.042 -20.219 16.248 1.00 0.00 A4 O -ATOM 1967 N MET A 215 17.908 -18.970 16.624 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.642 -18.708 17.252 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.890 -18.493 15.251 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.063 -16.972 15.227 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 17.012 -16.254 16.080 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.170 -14.463 16.043 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.815 -14.237 14.298 1.00 0.00 A4 C -ATOM 1974 C MET A 215 18.965 -19.189 14.450 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.861 -19.822 14.996 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.852 -19.007 13.118 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.052 -18.538 12.744 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.994 -19.333 12.264 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.582 -19.122 10.796 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.522 -19.764 9.783 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.737 -19.746 9.978 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.025 -20.275 8.781 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.151 -18.431 12.659 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 20.991 -17.223 12.752 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.307 -19.068 12.931 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.367 -20.065 12.884 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.434 -18.256 13.394 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.530 -19.145 13.983 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.318 -20.217 12.760 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 24.002 -17.233 12.410 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.729 -16.326 12.795 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.589 -17.398 11.129 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 23.042 -18.201 10.894 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.827 -16.367 10.112 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.409 -16.830 8.720 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.471 -17.624 7.973 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.076 -17.843 6.511 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.103 -18.649 5.712 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.141 -20.032 6.207 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.880 -20.563 5.703 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.349 -20.030 7.225 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.217 -20.482 6.050 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.141 -15.037 10.352 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.667 -13.987 10.005 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.942 -15.137 10.967 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.576 -16.044 11.168 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.187 -13.939 11.347 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.837 -14.311 11.967 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.911 -15.192 11.114 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.336 -14.470 9.904 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.333 -13.239 9.869 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.870 -15.157 8.997 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.920 -13.015 12.304 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.788 -11.799 12.243 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.723 -13.665 13.177 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.779 -14.664 13.157 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.560 -12.905 14.108 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.175 -13.820 15.179 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.156 -14.675 15.910 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.521 -15.997 16.238 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.606 -16.814 16.923 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.893 -14.151 16.260 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 20.975 -14.967 16.940 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.345 -16.288 17.265 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.448 -17.092 17.940 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.646 -16.613 18.099 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.670 -12.101 13.447 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.156 -11.117 13.988 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.041 -12.576 12.242 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.605 -13.392 11.866 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.119 -11.918 11.505 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.311 -12.863 11.325 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.733 -13.441 12.656 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.308 -12.770 13.500 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.405 -14.734 12.791 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.909 -15.204 12.062 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.646 -15.243 13.615 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.696 -11.395 10.145 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.463 -11.428 9.192 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.436 -10.920 10.097 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.862 -10.938 10.915 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.924 -10.353 8.848 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.549 -10.985 8.566 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.841 -10.364 7.379 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.344 -10.571 6.078 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.672 -9.992 4.988 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.684 -9.594 7.616 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.012 -9.016 6.526 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.515 -9.224 5.226 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.856 -8.660 4.152 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.090 -8.189 4.453 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.854 -8.834 8.929 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.032 -8.299 9.660 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.728 -8.133 8.171 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.724 -7.142 8.294 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.674 -8.704 7.208 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.672 -7.859 5.916 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.118 -6.402 6.085 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.364 -5.951 7.204 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.217 -5.714 5.071 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.097 -8.956 7.703 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.932 -9.487 6.980 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.320 -8.551 8.973 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.575 -8.121 9.483 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.617 -8.727 9.633 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.659 -7.748 9.069 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.222 -6.284 9.163 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.271 -5.306 8.640 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.788 -3.856 8.696 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.657 -3.672 7.775 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.340 -2.683 7.813 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.959 -3.904 6.808 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.876 -4.299 8.054 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.474 -8.532 11.132 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.440 -8.090 11.609 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.562 -8.851 11.856 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.346 -9.306 11.435 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.579 -8.457 13.266 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.316 -9.650 14.181 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 27.987 -10.126 13.964 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.893 -10.914 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.898 -7.818 13.613 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.945 -8.310 13.228 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.676 14.321 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 29.937 -6.310 14.619 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.066 -5.954 14.560 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.188 -4.723 13.638 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 32.067 -5.128 12.167 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.198 -3.605 13.985 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.453 -2.327 13.183 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.263 -5.564 16.011 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.323 -5.508 16.789 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.539 -5.282 16.335 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.271 -5.421 15.669 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.800 -4.682 17.643 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.879 -5.472 18.402 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.104 -4.917 19.812 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.536 -6.965 18.456 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.171 -3.215 17.484 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.130 -2.864 16.807 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.319 -2.381 18.115 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.582 -2.763 18.671 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.344 -0.953 17.801 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.240 -0.699 16.762 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.200 0.701 16.165 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.011 1.547 16.531 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.342 0.937 15.317 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.200 -0.067 19.032 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.115 0.119 19.565 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.359 0.499 19.432 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.205 0.308 18.937 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.367 1.408 20.582 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.784 1.528 21.158 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.656 2.152 20.212 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.501 2.245 20.632 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.747 2.786 20.370 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.426 3.485 21.323 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.581 3.139 19.078 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.859 2.522 18.342 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 32.936 4.419 18.776 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.434 4.381 18.530 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.818 5.398 18.235 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.864 3.171 18.694 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.414 2.357 18.878 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.409 3.106 18.806 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.880 1.960 17.935 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.125 2.260 16.559 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.870 1.494 16.062 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.395 1.651 18.144 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.058 2.906 20.263 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.744 2.178 20.962 1.00 0.00 A4 O -ATOM 2132 N THR A 232 27.980 3.587 20.699 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.447 4.161 20.078 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.575 3.402 22.092 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.661 4.557 22.525 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.308 5.811 22.291 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.716 6.483 22.603 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.242 4.455 23.992 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.923 2.053 22.366 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.302 1.328 23.276 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.907 1.768 21.531 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.726 2.364 20.749 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.022 0.641 21.822 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.623 0.930 21.263 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.966 2.107 21.961 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.481 2.689 22.908 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.776 2.428 21.428 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.392 1.901 20.669 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.256 3.203 21.787 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.488 -0.711 21.313 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.394 -0.833 20.498 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.747 -1.724 21.813 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 24.120 -1.537 22.567 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.665 -3.003 21.111 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.267 -4.113 22.091 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 24.022 -5.498 21.470 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.271 -6.082 20.804 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.398 -6.462 22.480 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.641 -2.906 19.998 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.454 -2.730 20.232 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.168 -3.026 18.770 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.143 -3.189 18.639 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.258 -2.973 17.635 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.745 -1.944 16.613 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.062 -0.599 17.271 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.507 0.487 16.289 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.403 0.957 15.455 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.189 0.501 14.592 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.629 1.988 15.859 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.608 2.363 15.096 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.020 3.118 15.387 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.427 1.892 14.233 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.863 2.640 17.001 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.261 3.391 17.272 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.630 2.385 17.590 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.064 -4.344 17.029 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 23.998 -5.106 16.836 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.782 -4.639 16.778 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 21.064 -3.967 16.951 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.441 -5.975 16.304 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.605 -6.705 17.360 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.312 -6.969 18.689 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.331 -7.482 19.743 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.511 -7.905 18.530 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.643 -5.879 15.026 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.764 -5.035 14.916 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.952 -6.792 14.062 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 22.008 -7.795 14.128 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.166 -6.874 12.819 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.709 -8.144 12.157 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.121 -8.323 12.708 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -7.003 13.123 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.344 -7.584 14.139 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.852 -6.423 12.233 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.250 -5.948 11.449 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.355 12.465 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -6.087 11.143 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.164 -5.836 11.295 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.462 -5.658 9.947 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 11.963 -5.360 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.256 -6.497 10.675 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.240 -6.281 10.729 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.397 -7.351 10.098 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.624 -6.662 11.634 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.764 -7.538 13.183 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.121 -7.393 14.212 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 16.010 -8.717 12.583 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.572 -8.736 11.757 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.424 -9.952 13.096 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.622 -11.038 12.040 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.588 -12.155 12.127 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.636 -13.067 10.905 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.580 -14.167 10.976 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.436 -14.774 9.647 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.715 -15.522 9.684 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.136 -14.037 8.976 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.344 -15.175 9.338 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.876 -10.392 14.485 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.087 -10.872 15.289 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.186 -10.172 14.732 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.759 -9.768 14.019 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.749 -10.453 16.058 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.285 -10.501 15.992 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.916 -10.932 17.321 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.752 -11.404 14.852 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.289 -9.485 17.140 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 17.031 -9.874 18.270 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.175 -8.206 16.720 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.412 -7.989 15.777 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.660 -7.144 17.585 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.778 -5.789 16.865 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.241 -4.641 17.698 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 17.015 -4.118 18.758 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.968 -4.108 17.393 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.512 -3.040 19.514 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.466 -3.031 18.149 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.247 -2.502 19.197 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.241 -7.390 18.059 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.920 -7.169 19.215 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.413 -7.869 17.112 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.758 -8.041 16.190 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.019 -8.150 17.455 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.209 -8.413 16.188 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.174 -7.192 15.265 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.478 -7.530 13.961 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.821 -8.539 13.344 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.597 -6.770 13.562 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.832 -9.281 18.447 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.039 -9.186 19.374 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.633 -10.344 18.217 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.235 -10.343 17.419 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.636 -11.485 19.134 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.466 -12.626 18.544 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.162 -11.175 20.526 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.644 -11.651 21.529 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.218 -10.335 20.525 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.553 -9.974 19.656 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.860 -9.934 21.774 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.195 -9.241 21.499 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 15.017 -9.027 22.643 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.913 -9.231 23.842 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.400 -8.032 21.974 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.529 -7.962 20.987 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.503 -7.111 22.674 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.169 -5.908 21.776 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 12.113 -4.965 22.355 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.449 -5.124 21.506 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.254 -7.778 23.218 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.832 -7.491 24.327 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.714 -8.713 22.408 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 12.106 -8.860 21.501 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.590 -9.535 22.869 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.147 -10.465 21.733 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 8.985 -11.392 22.096 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.642 -12.388 20.990 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.626 -13.424 21.470 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.280 -14.324 20.362 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.682 -15.097 20.719 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.760 -13.788 19.638 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.148 -14.719 19.947 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.881 -10.329 24.138 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.062 -10.418 25.045 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.112 -10.880 24.151 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.717 -10.745 23.366 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.573 -11.646 25.309 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.818 -12.444 24.914 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.217 -13.307 25.982 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.060 -13.667 25.737 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.824 -10.824 26.566 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.511 -11.248 27.671 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.395 -9.621 26.336 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.578 -9.339 25.395 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.664 -8.704 27.449 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.673 -7.617 27.019 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.945 -6.578 28.115 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 15.991 -8.255 26.567 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.977 -7.246 25.973 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.403 -8.098 28.053 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.311 -7.900 29.258 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.422 -7.849 27.156 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.572 -8.087 26.198 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.113 -7.355 27.593 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.196 -7.030 26.411 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.529 -5.754 25.643 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.509 -5.493 24.532 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.816 -4.213 23.757 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.804 -3.972 22.721 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.065 -3.120 22.183 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.760 -4.788 22.079 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.876 -3.827 23.168 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.373 -8.329 28.481 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.807 -7.954 29.498 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.424 -9.603 28.039 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.913 -9.808 27.191 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.775 -10.681 28.784 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.820 -11.977 27.974 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.371 -10.941 30.156 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.665 -11.197 31.124 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.715 -10.832 30.192 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.221 -10.623 29.355 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.423 -10.970 31.464 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.926 -11.089 31.215 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.172 -9.836 32.447 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.159 -10.027 33.657 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.955 -8.645 31.853 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.977 -8.569 30.856 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.662 -7.471 32.671 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.581 -6.318 32.256 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.284 -5.898 30.921 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.843 -5.154 30.739 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.205 -7.027 32.672 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.901 -5.871 32.945 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.319 -7.998 32.346 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.645 -8.921 32.146 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.891 -7.689 32.192 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.193 -8.788 31.386 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.202 -10.016 32.122 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.685 -10.636 31.626 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.089 -7.384 33.451 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.881 -7.189 33.397 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.816 -7.341 34.584 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.804 -7.489 34.567 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.181 -6.896 35.822 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.834 -7.596 37.014 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.243 -7.339 37.036 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.599 -7.842 37.757 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.567 -9.102 36.979 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.175 -5.385 36.006 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.571 -4.857 36.932 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.868 -4.715 35.059 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.387 -5.203 34.359 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.815 -3.258 35.027 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.153 -2.641 35.433 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.614 -3.116 36.814 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.042 37.545 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.917 -1.129 36.906 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.464 -2.118 38.770 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.730 33.680 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.265 -3.461 32.702 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.109 -1.411 33.691 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.248 -0.868 34.519 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.588 -0.800 32.476 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.193 -0.240 32.757 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.332 0.000 31.516 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.930 0.474 31.909 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.980 0.660 30.724 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.720 29.837 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.827 1.832 29.035 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.542 2.615 30.362 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.422 1.457 29.484 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.525 0.249 31.917 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.949 1.177 32.596 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.836 0.028 30.629 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.437 -0.750 30.145 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.756 0.930 29.945 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.035 0.199 29.508 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.704 -0.519 30.658 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.370 -1.868 30.910 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.652 0.161 31.453 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.985 -2.547 31.979 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.270 -0.518 32.521 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.925 -1.863 32.776 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.084 1.495 28.714 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.412 0.776 27.984 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.301 2.817 28.488 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 7.952 3.772 29.380 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.860 3.424 27.225 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.355 4.866 27.356 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.497 5.126 28.854 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.450 2.718 26.015 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.520 2.126 26.087 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.696 2.793 24.902 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.823 3.281 24.907 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.211 2.152 23.690 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.104 2.037 22.638 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.450 0.952 21.634 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.350 -0.224 21.984 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.819 1.287 20.510 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.467 2.796 23.115 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.285 2.150 22.471 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.587 4.105 23.422 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.873 4.565 23.951 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.802 4.827 23.056 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 11.034 4.468 23.867 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.149 4.682 23.418 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.799 3.881 25.064 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.864 3.760 25.395 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.934 3.330 25.814 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.482 2.844 27.205 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.597 2.110 27.925 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.700 2.830 28.433 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.523 0.704 28.046 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.756 2.131 29.049 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.576 0.005 28.666 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.685 0.726 29.156 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.685 2.240 25.061 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.907 2.243 24.996 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.884 1.322 24.484 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.890 1.402 24.567 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.476 0.225 23.716 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.448 -0.888 23.504 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.909 -1.381 24.829 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.575 -2.192 25.822 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.639 -2.414 26.887 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.872 -2.745 25.899 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.622 -1.155 25.343 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.458 -1.762 26.549 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.637 -1.751 27.084 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.019 -3.186 28.007 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.238 -3.513 27.024 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.317 -3.734 28.072 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.101 0.618 22.384 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.875 -0.128 21.798 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.735 1.842 21.947 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.094 2.399 22.474 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.348 2.400 20.742 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.308 3.214 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.127 2.385 19.465 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 9.976 3.274 18.993 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.554 1.377 18.395 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.593 3.245 20.983 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.196 3.757 20.047 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.946 3.376 22.280 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.402 2.942 22.997 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.096 4.211 22.637 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.838 5.713 22.659 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.760 6.519 22.681 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.532 6.047 22.641 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.841 5.328 22.651 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.117 7.448 22.652 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.865 7.632 21.789 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.005 7.050 20.377 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.688 7.082 19.613 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.729 6.939 18.392 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.629 7.237 20.224 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.878 7.968 24.057 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.634 8.783 24.573 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.788 7.440 24.656 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.210 6.779 24.179 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.471 7.816 26.032 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.996 7.542 26.336 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 10.027 8.227 25.368 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.604 7.913 25.780 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.130 8.323 26.833 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.942 7.147 24.895 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.372 6.857 24.041 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 7.007 6.848 25.087 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.348 7.130 27.064 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.858 6.034 26.866 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.487 7.862 28.182 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.027 8.747 28.241 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.259 7.349 29.312 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.351 8.349 29.748 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.909 9.712 30.319 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.028 10.361 31.130 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.410 10.704 29.264 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.373 6.941 30.476 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.269 7.444 30.647 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.913 5.991 31.264 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.816 5.620 31.060 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.152 5.512 32.417 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.837 4.012 32.257 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.102 3.147 32.262 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.798 3.532 33.275 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.851 5.807 33.733 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.053 5.634 33.879 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.034 6.264 34.697 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.057 6.395 34.534 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.643 6.516 35.997 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.568 8.005 36.344 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.190 9.119 35.051 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.045 5.663 37.101 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 11.945 5.132 36.996 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.849 5.573 38.173 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.749 6.006 38.132 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.434 4.891 39.399 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 14.011 3.476 39.469 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.232 2.536 38.586 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.628 1.972 37.319 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.558 1.121 36.884 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.790 2.105 36.530 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.960 2.008 38.849 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.559 1.176 37.852 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.710 0.689 37.832 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.675 0.415 35.668 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.894 1.393 35.317 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.843 0.551 34.889 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.987 5.660 40.567 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 15.014 6.306 40.430 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.305 5.540 41.729 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.461 5.005 41.754 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.848 6.139 42.958 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 13.007 5.681 44.153 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.392 6.277 45.515 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.707 5.545 46.662 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.289 5.347 47.721 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.437 5.160 46.419 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 10.988 5.293 45.536 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 10.906 4.720 47.143 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.302 5.752 43.164 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.648 4.597 42.979 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.136 6.756 43.508 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.795 7.696 43.533 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.566 6.467 43.671 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.316 7.700 44.176 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.901 5.290 44.578 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.724 5.322 45.790 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.390 4.240 43.890 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.437 4.299 42.894 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.755 3.004 44.581 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.737 1.874 44.496 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.871 0.858 45.167 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.706 2.098 43.653 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.695 2.910 43.074 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.619 1.120 43.571 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.269 1.710 44.007 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.805 2.669 43.050 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.979 3.007 43.368 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.314 2.304 45.416 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.448 0.464 42.216 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.448 -0.201 41.974 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.464 0.672 41.346 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.227 1.273 41.584 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.443 0.007 40.041 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.684 0.392 39.224 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.878 1.807 39.255 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.677 1.975 38.774 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.602 -0.095 37.773 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.340 -1.506 40.172 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.163 -2.143 40.817 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.252 -2.045 39.561 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.213 -1.316 38.838 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.987 -3.484 39.636 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.478 -3.519 39.367 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.233 -2.383 38.374 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.807 -4.275 38.628 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.291 -4.815 37.659 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.125 -4.326 38.918 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.464 -3.832 39.716 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.069 -5.040 38.053 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.483 -4.994 38.640 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 20.028 -3.585 38.713 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.343 -2.685 37.627 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.885 -1.489 38.209 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.218 -2.789 36.224 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.387 -2.890 39.879 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.891 -1.660 39.589 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.210 -1.005 40.245 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.293 -0.424 37.376 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.628 -1.717 35.404 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.163 -0.542 35.975 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.709 -6.487 37.760 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.904 -6.981 36.657 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.147 -7.122 38.812 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.045 -6.624 39.674 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.711 -8.520 38.748 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.200 -8.977 40.129 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.867 -8.342 40.508 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.814 -8.960 40.414 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.967 -7.074 40.945 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.856 -6.621 41.006 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.148 -6.565 41.211 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.733 -8.897 37.640 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.736 -10.020 37.153 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.899 -7.899 37.270 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 15.003 -6.989 37.669 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.896 -8.158 36.232 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.680 -7.220 36.373 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.139 -7.239 37.806 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.960 -5.798 35.880 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.718 -4.915 35.792 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.422 -8.152 34.800 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.760 -8.600 33.873 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.654 -7.620 34.673 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.157 -7.307 35.478 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.287 -7.569 33.360 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.940 -6.211 33.127 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.933 -5.098 33.016 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.253 -4.901 31.795 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.710 -4.260 34.129 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.342 -3.835 31.679 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.798 -3.194 34.015 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.129 -2.990 32.789 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.334 -8.650 33.202 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.213 -8.817 34.035 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.192 -9.394 32.080 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.176 31.028 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.031 -10.574 31.841 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.323 -11.221 30.650 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.667 -10.071 29.895 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.500 -10.296 31.562 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.931 -9.180 31.300 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.243 -11.417 31.602 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 19.843 -12.271 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.588 -11.391 31.032 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.552 -12.228 31.886 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.585 -11.688 33.315 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.238 -13.729 31.856 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.600 -11.838 29.577 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.756 -12.608 29.138 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.594 -11.303 28.842 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.220 -10.641 29.249 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.726 -11.691 27.437 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.471 -10.493 26.503 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.581 -10.893 25.024 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.127 -9.822 26.804 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.906 -8.548 25.987 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 24.077 -12.315 27.138 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.116 -11.671 27.188 1.00 0.00 A4 O -ATOM 2630 N SER A 284 24.006 -13.611 26.794 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.126 -14.081 26.777 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.235 -14.284 26.389 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.268 -15.702 26.953 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.180 -15.646 28.378 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.213 -16.541 28.688 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.470 -14.294 24.892 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.665 -14.772 24.105 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.646 -13.744 24.545 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.227 -13.329 25.241 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.100 -13.821 23.160 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.557 -12.456 22.647 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.526 -11.332 22.760 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.155 -9.981 22.418 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.269 -11.600 21.931 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.250 -14.791 23.022 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.318 -14.615 23.590 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 27.977 -15.827 22.220 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.111 -15.855 21.728 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.035 -16.796 21.963 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.475 -18.215 21.802 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.852 -18.784 23.063 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.674 -18.215 23.596 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.075 -18.804 24.721 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.459 -19.911 23.654 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.859 -20.503 24.778 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.670 -19.947 25.291 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.067 -20.533 26.385 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.630 -21.200 26.753 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.801 -16.403 20.720 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.225 -16.063 19.698 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.133 -16.451 20.867 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.535 -16.673 21.750 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.006 -16.138 19.743 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.946 -14.998 20.128 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.229 -13.706 20.518 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.165 -12.730 21.227 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.536 -13.059 19.320 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.825 -17.343 19.349 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.186 -18.158 20.186 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.128 -17.394 18.035 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.766 -16.690 17.427 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 34.026 -18.427 17.511 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.196 -18.216 15.999 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.114 -19.230 15.306 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.468 -18.834 13.586 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.922 -19.404 12.872 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.371 -18.423 18.226 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.942 -17.381 18.503 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.829 -19.642 18.542 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.322 -20.450 18.246 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.099 -19.736 19.258 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.273 -20.034 18.350 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.218 -19.859 17.139 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.351 -20.489 19.014 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.300 -20.674 19.996 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.587 -20.718 18.270 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.798 -20.315 19.102 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.766 -18.847 19.516 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.076 -18.507 20.190 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.185 -18.700 21.400 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 43.981 -18.049 19.497 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.801 -22.115 17.722 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.558 -22.308 16.778 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.110 -23.084 18.353 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.488 -22.871 19.105 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.249 -24.446 17.841 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.841 -25.403 18.902 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.144 -24.843 19.478 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.865 -25.779 20.017 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.951 -24.969 17.247 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.903 -24.346 17.372 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.081 -26.143 16.587 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.982 -26.571 16.528 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.928 -26.771 15.930 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.367 -28.068 15.232 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.483 -27.812 14.376 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.712 -28.642 13.979 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.244 -28.740 14.432 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.765 -27.042 16.872 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.934 -27.584 17.958 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.580 -26.601 16.390 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.557 -26.194 15.476 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.322 -26.749 17.134 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.808 -28.195 17.108 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.523 -28.653 15.691 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.187 -27.883 14.800 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.676 -29.980 15.540 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.954 -30.545 16.317 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.509 -30.418 14.658 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.326 -26.220 18.558 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.693 -26.768 19.451 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.086 -25.124 18.725 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.618 -24.747 17.967 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.131 -24.513 20.047 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.501 -24.771 20.686 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.848 -24.032 21.988 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.540 -22.717 21.676 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.432 -22.646 20.842 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.092 -21.674 22.395 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.362 -21.786 23.068 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.490 -20.766 22.260 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.772 -23.052 19.990 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.192 -22.321 19.105 1.00 0.00 A4 O -ATOM 2734 N SER A 295 33.969 -22.682 20.999 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.639 -23.376 21.635 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.585 -21.291 21.187 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.146 -21.093 20.700 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.239 -21.846 21.508 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.371 -21.681 21.163 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.759 -20.877 22.639 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.221 -21.644 23.473 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.341 -19.628 22.901 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 33.071 -19.024 22.153 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.260 -19.161 24.284 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.617 -18.617 24.773 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.034 -17.357 24.044 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.694 -16.102 24.595 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.761 -17.453 22.837 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.092 -14.923 23.936 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.157 -16.275 22.176 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.023 22.734 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.158 -18.131 24.401 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.675 -17.635 23.398 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.778 -17.812 25.647 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.156 -18.260 26.452 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.773 -16.763 25.754 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.439 -17.330 26.250 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.460 -17.831 27.695 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.096 -18.341 28.151 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.115 -18.640 29.579 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.708 -18.111 30.186 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.288 -19.558 30.121 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.477 -20.305 29.373 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.877 -20.971 29.816 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.461 -20.209 28.378 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.283 -19.722 31.440 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.680 -20.399 31.860 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 27.886 -19.166 32.013 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.205 -15.577 26.585 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 32.055 -15.661 27.461 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.534 -14.459 26.266 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.938 -14.453 25.466 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.575 -13.318 27.168 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.235 -12.092 26.512 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.699 -12.389 26.179 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.478 -11.573 25.285 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 31.035 -10.239 24.791 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.181 -13.004 27.675 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.205 -13.021 26.938 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.125 -12.741 28.987 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.946 -12.727 29.554 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.814 -12.448 29.547 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.506 -13.410 30.701 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.537 -14.755 30.210 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.272 -15.316 30.927 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.157 -13.139 31.373 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.676 -10.991 29.933 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.498 -10.403 30.625 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.576 -10.444 29.389 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.943 -11.041 28.901 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.273 -9.027 29.538 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.839 -8.449 28.176 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.590 -6.940 28.239 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.815 -8.821 27.050 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.217 -8.232 27.213 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.189 -8.830 30.582 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.120 -9.419 30.522 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.523 -7.964 31.550 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.414 -7.516 31.526 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.541 -7.591 32.565 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.300 -7.170 33.830 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 26.029 -8.315 34.538 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.855 -7.796 35.714 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.079 -9.427 34.980 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.477 32.064 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 23.981 -5.752 31.142 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.434 -6.348 32.705 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.830 -7.256 33.679 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.578 -5.184 32.428 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.324 -5.477 33.242 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.771 -6.405 34.363 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.177 -3.831 32.767 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.776 -2.819 32.215 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.855 33.682 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.450 -4.725 34.083 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.891 -2.625 34.001 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.727 -2.789 35.271 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.015 -2.978 36.616 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.587 -4.409 36.888 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.702 -5.322 36.080 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.061 -4.547 38.114 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.050 -3.785 38.761 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.656 -5.413 38.402 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.782 -2.097 32.882 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.210 -0.949 32.899 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 25.022 -2.990 31.898 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.647 -3.914 31.958 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.689 -2.573 30.668 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.486 -3.744 30.087 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.751 -4.064 30.889 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.327 -5.404 30.470 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 28.044 -6.432 31.069 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.169 -5.353 29.423 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.404 -4.493 28.970 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.586 -6.198 29.087 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.720 -2.017 29.640 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.934 -0.945 29.086 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.635 -2.790 29.415 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.473 -3.627 29.940 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.694 -2.338 28.391 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.188 -3.523 27.548 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.232 -4.446 28.278 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.906 -4.023 28.507 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.006 -4.889 29.143 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.681 -5.721 28.679 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.777 -6.597 29.305 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.452 -6.167 29.526 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.552 -7.015 30.136 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 18.916 -7.887 30.184 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.575 -1.400 28.833 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.695 -1.054 28.056 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.664 -0.986 30.112 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.355 -1.373 30.721 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.832 0.126 30.567 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.260 31.724 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.884 -1.365 31.434 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.085 -1.703 32.692 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.962 -1.034 30.257 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.721 1.271 30.992 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.171 1.365 32.128 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.969 2.123 29.983 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.502 1.980 29.111 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.932 3.211 30.129 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.318 3.695 28.730 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.474 4.691 28.739 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.887 5.163 27.345 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.801 5.837 26.630 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.221 5.327 25.996 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.564 7.157 26.798 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.264 7.889 27.665 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 24.065 8.864 27.765 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.986 7.473 28.218 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.611 7.743 26.078 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.429 8.719 26.198 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.078 7.215 25.417 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.448 4.367 30.992 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.452 5.007 30.691 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.205 4.636 32.088 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.414 3.947 32.531 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.817 5.736 32.976 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.742 5.533 34.180 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.989 4.858 33.609 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.949 7.101 32.325 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.954 7.452 31.716 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.843 7.845 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 21.060 7.481 32.982 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.807 9.199 31.942 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.797 9.298 30.785 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.263 8.488 29.575 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.387 8.881 31.205 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.506 10.210 33.029 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.788 9.939 33.986 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.105 11.401 32.826 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.697 11.528 32.031 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.864 12.499 33.762 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.787 13.684 33.448 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.294 13.385 33.513 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.835 13.415 34.935 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.305 12.721 35.803 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.807 14.133 35.167 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.420 12.955 33.758 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.830 13.216 32.716 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.888 13.024 34.995 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.447 12.770 35.783 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.511 13.475 35.187 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.127 13.276 36.661 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.624 13.282 36.897 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.953 14.227 36.488 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.132 12.343 37.520 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.318 14.914 34.737 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.772 15.857 35.373 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.616 15.011 33.587 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.295 14.165 33.162 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.362 16.307 32.943 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.593 16.097 31.621 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.423 17.399 30.829 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.251 15.021 30.750 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.655 17.319 33.844 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.883 18.521 33.775 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.808 16.749 34.724 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.690 15.756 34.731 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.154 17.573 35.736 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.676 17.172 35.825 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.886 17.528 37.081 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.034 17.947 37.163 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.198 17.014 38.129 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.284 16.621 38.046 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.851 16.924 39.435 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.807 17.138 40.545 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.183 18.416 40.392 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.543 18.490 41.088 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.379 16.999 41.961 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.548 15.588 39.611 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.918 14.541 39.532 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.691 39.869 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.296 16.596 39.857 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.688 14.510 40.172 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.177 14.853 40.093 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.486 15.391 38.806 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.401 15.638 38.832 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.375 13.851 41.506 1.00 0.00 A4 C -ATOM 2942 O SER A 315 19.041 14.044 42.516 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.302 13.050 41.428 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.846 12.949 40.545 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.756 12.351 42.588 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.449 13.030 43.002 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.870 12.559 44.343 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.469 13.094 44.628 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.873 12.736 45.636 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.947 13.949 43.722 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.402 14.267 42.891 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.027 14.303 43.884 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.511 10.884 42.274 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.382 10.040 43.152 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.444 10.634 40.952 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.561 11.362 40.278 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.125 9.296 40.479 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.734 9.311 39.830 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.652 9.703 40.825 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.630 9.164 41.930 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.831 10.553 40.486 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.167 8.811 39.493 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.688 9.578 38.692 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.493 39.581 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.006 6.928 40.283 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.319 6.891 38.578 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.910 5.567 39.067 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.775 5.731 40.303 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.531 6.700 40.388 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.697 4.869 41.174 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.620 6.652 37.256 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.670 5.886 37.152 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.156 7.361 36.249 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.959 7.934 36.411 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.558 7.249 34.924 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.189 8.638 34.408 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.124 9.593 35.525 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.462 6.513 33.954 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.678 6.515 34.093 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.799 5.852 32.982 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.803 5.908 32.945 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.519 4.988 32.044 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.541 3.517 32.501 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.030 3.338 33.922 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.083 3.337 34.966 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.522 3.168 36.287 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.408 3.170 34.169 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.848 2.995 35.492 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.898 2.994 36.534 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.320 2.814 37.836 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.241 2.596 37.856 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.895 5.019 30.661 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.696 5.204 30.504 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.765 4.788 29.663 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.738 4.686 29.850 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.253 4.517 28.324 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.841 5.471 27.281 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.234 6.875 27.259 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.682 7.628 26.002 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.037 9.004 25.815 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.558 9.962 26.801 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.083 10.878 26.666 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.378 9.615 27.764 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.581 10.083 26.658 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.563 3.096 27.909 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.556 2.505 28.312 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.655 2.589 27.055 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.857 3.137 26.806 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.884 1.281 26.445 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.552 0.758 25.899 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.576 -0.706 25.520 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.923 -1.689 26.474 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.206 -1.064 24.206 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.872 -3.050 26.114 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.152 -2.423 23.845 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.473 -3.404 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 18.962 1.339 25.379 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.793 1.895 24.300 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.100 0.739 25.773 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.115 0.250 26.642 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.286 0.780 24.925 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.541 0.954 25.786 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.442 -0.430 24.020 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.537 -0.915 23.767 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.268 -0.877 23.528 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.412 -0.506 23.885 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.228 -1.833 22.424 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.747 -3.218 22.894 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.696 -4.228 21.741 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.590 -3.747 24.055 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.032 -5.041 24.647 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.307 -1.296 21.343 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.150 -0.977 21.592 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.882 -1.208 20.130 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.452 20.006 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.088 -0.688 19.020 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.422 0.787 18.784 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.829 0.940 18.579 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.997 1.873 18.564 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.225 -1.505 17.750 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.123 -2.321 17.606 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.268 -1.240 16.837 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.569 -0.556 17.044 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.261 -1.937 15.551 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.867 -1.830 14.922 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.579 -2.844 13.806 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.205 -2.620 13.200 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 15.041 -2.577 11.986 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.215 -2.499 14.104 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.400 -2.509 15.086 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.267 -2.393 13.803 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.329 -1.444 14.588 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.688 -0.273 14.554 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.811 -2.425 13.807 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.455 -3.351 13.919 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.806 -2.152 12.780 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.159 -2.724 13.206 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.171 -2.351 12.266 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.941 -2.860 12.476 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.382 -2.734 11.448 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.712 -3.758 11.367 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.832 -2.019 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.339 -1.172 10.562 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.659 -2.539 9.050 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.845 -1.545 8.216 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.511 -0.278 8.173 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.953 0.308 7.679 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.973 -2.900 8.367 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.022 -3.154 7.169 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.041 -2.890 9.197 1.00 0.00 A4 N -ATOM 3071 H THR A 329 22.920 -2.699 10.169 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.396 -3.137 8.702 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.174 -1.817 8.572 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.235 -1.153 9.838 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.737 -0.360 9.706 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.598 -0.881 7.505 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.178 -4.115 9.572 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.397 -4.049 9.669 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.412 -5.026 10.208 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.417 -5.007 10.109 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.063 -6.033 11.044 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.124 -5.713 12.526 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.794 -4.623 12.971 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.592 -6.734 13.274 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.826 -7.604 12.839 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.830 -6.532 14.704 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 26.003 -7.886 15.415 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.857 -8.702 15.178 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 25.009 -9.523 15.628 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.246 -7.778 16.925 1.00 0.00 A4 C -ATOM 3091 C THR A 331 27.009 -5.617 14.981 1.00 0.00 A4 C -ATOM 3092 O THR A 331 28.048 -5.680 14.338 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.769 -4.750 15.982 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.865 -4.727 16.401 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.825 -3.891 16.499 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.584 -2.427 16.104 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.748 -1.551 16.561 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.323 -2.251 14.605 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.932 -4.028 18.009 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.086 -3.579 18.770 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.048 -4.663 18.398 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.663 -5.014 17.697 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.405 -4.743 19.813 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.295 -5.964 20.047 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.579 -7.270 19.695 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.685 -8.689 19.620 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.252 -8.684 21.326 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.077 -3.473 20.294 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.295 -3.334 20.296 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.190 -2.539 20.689 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.214 -2.758 20.706 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.661 -1.213 21.069 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.290 -1.135 22.442 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.598 -2.135 23.076 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.453 0.134 22.856 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.204 0.863 22.229 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.055 0.495 24.135 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.080 2.016 24.298 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.402 -0.111 25.358 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.096 -0.522 26.274 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.051 -0.175 25.330 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.545 0.165 24.538 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.360 -0.804 26.461 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.847 -0.517 26.447 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.586 0.986 26.558 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.115 -1.157 25.261 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.626 -2.293 26.638 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.554 -2.827 27.737 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 28.974 -2.925 25.499 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.008 -2.415 24.639 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.395 -4.324 25.530 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.188 -4.948 24.139 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.670 -6.399 24.049 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.723 -4.820 23.713 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.766 -5.610 24.609 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.828 -4.490 26.014 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.134 -5.372 26.804 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.684 -3.575 25.511 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.340 -2.863 24.899 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.104 -3.598 25.870 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.902 -2.723 24.905 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.788 -3.149 23.440 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.653 -2.034 22.322 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.327 -2.318 22.917 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.430 -3.210 27.305 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.459 -3.600 27.843 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.491 -2.439 27.900 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.694 -2.151 27.373 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.598 -2.058 29.311 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.481 -1.091 29.696 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.671 0.338 29.181 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.416 1.181 29.378 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.318 2.230 28.743 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.537 0.794 30.150 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.547 -3.242 30.249 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.691 -4.111 30.144 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.528 -3.237 31.169 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.227 -2.522 31.162 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.613 -4.385 32.069 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.357 -5.587 31.507 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.505 -6.605 32.172 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.839 -5.408 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.587 -4.598 29.729 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.775 -6.372 29.687 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.186 -7.114 28.480 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.928 -7.874 28.831 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.697 -7.413 28.320 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.995 -9.030 29.640 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.516 -8.123 28.608 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.813 -9.741 29.930 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.586 -9.284 29.405 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.069 -5.712 29.254 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.123 -4.542 28.894 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.110 -6.560 29.293 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 37.971 -7.476 29.660 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.403 -6.206 28.721 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.491 -6.647 29.702 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.865 -6.153 29.312 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.123 -4.767 29.271 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.426 -4.328 28.985 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.861 -7.108 29.032 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.163 -6.670 28.751 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.430 -5.287 28.748 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.715 -4.857 28.504 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.281 -5.599 28.340 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.559 -6.849 27.355 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.498 -8.062 27.197 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.714 -5.951 26.365 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.856 -4.989 26.589 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.602 -6.402 24.980 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.418 -5.721 24.272 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.162 -6.352 22.903 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.142 -5.742 25.116 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.878 -6.209 24.186 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.274 -5.102 23.853 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.499 -7.361 23.884 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.088 -8.238 24.126 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.748 -7.292 23.134 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.721 -8.376 23.618 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.085 -8.256 22.932 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.853 -8.349 25.144 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.544 -7.364 21.633 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 42.039 -8.324 21.077 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 42.991 -6.282 20.993 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.338 -5.527 21.542 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 43.026 -6.267 19.534 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.659 -4.882 19.000 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.257 -4.492 19.412 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.202 -4.663 18.490 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 41.022 -3.958 20.699 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.894 -4.293 18.857 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.715 -3.591 21.069 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.665 -3.760 20.143 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.378 -6.705 19.012 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.236 -5.904 18.663 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.509 -8.046 18.996 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.721 -8.607 19.246 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.753 -8.673 18.556 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.922 -10.025 19.271 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.338 -10.589 19.202 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.151 -10.117 18.407 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.624 -11.511 19.962 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.836 -8.806 17.046 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.572 -9.848 16.461 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.246 -7.667 16.457 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.434 -6.877 17.040 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.418 -7.550 15.008 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.098 14.677 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.615 -5.136 15.023 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.081 -3.684 15.136 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.822 -3.242 13.954 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.779 -3.501 13.831 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.252 -2.460 13.015 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 44.970 -2.105 13.088 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.573 -1.526 12.376 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.400 -2.415 13.850 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 46.994 -2.031 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.585 -1.453 11.292 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.961 -2.280 11.940 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.464 -8.481 14.417 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.304 -9.012 13.324 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.534 -8.665 15.220 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.582 -8.177 16.091 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.628 -9.559 14.839 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.741 -9.496 15.888 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.230 -11.013 14.639 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.764 -11.708 13.784 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.253 -11.431 15.469 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.852 -10.812 16.144 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.790 -12.812 15.355 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.942 -13.531 16.692 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.388 -13.633 17.175 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.500 -14.493 18.432 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 48.985 -15.839 18.180 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.506 -16.056 17.330 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.818 19.097 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.738 -16.610 20.257 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.821 -17.358 20.914 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.123 -15.713 20.478 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.610 -18.018 18.828 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.698 -18.758 19.494 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.141 -18.180 17.960 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.374 -12.994 14.835 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.807 -14.076 14.940 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.825 -11.886 14.281 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.370 -11.050 14.214 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.459 -11.879 13.741 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.398 -12.536 12.355 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.390 -11.943 11.353 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.299 -12.612 9.981 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.350 -12.080 9.005 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.159 -12.703 7.687 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.849 -12.307 7.017 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.298 -13.731 7.761 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.196 -12.507 7.348 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.392 -12.450 14.664 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.663 -13.372 14.317 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.362 -11.846 15.870 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 44.034 -11.134 16.067 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.408 -12.265 16.897 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.920 -13.526 17.611 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.266 -13.320 18.308 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.576 18.977 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.921 -14.199 19.869 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.284 -13.269 19.842 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.458 -15.061 20.756 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.321 20.855 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.468 -16.933 21.520 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.301 -16.661 20.273 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.433 -14.638 21.554 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.843 -15.268 22.213 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.757 -13.694 21.496 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.071 -11.147 17.878 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.785 -10.161 17.999 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.356 18.564 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.396 -12.171 18.358 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.444 -10.433 19.592 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.206 -9.653 19.103 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.660 -8.708 20.176 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.486 -8.877 17.816 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.233 -8.211 17.250 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.122 -11.174 20.884 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.306 -12.085 20.912 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.803 -10.733 21.959 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.427 -9.961 21.879 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.595 -11.374 23.253 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.623 -10.659 24.162 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.444 -9.450 24.117 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 38.996 -11.499 25.000 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 39.166 -12.481 24.933 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.064 -10.975 25.992 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.605 -11.281 25.628 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.152 -10.601 24.355 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.481 -11.168 23.103 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.381 -9.420 24.440 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.026 -10.553 21.922 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.921 -8.806 23.258 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.244 -9.382 22.012 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.346 -11.590 27.343 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.498 -12.796 27.480 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.382 -10.696 28.341 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.331 -9.716 28.150 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.464 -11.197 29.709 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 39.912 -11.256 30.197 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.671 -10.308 30.630 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.284 -9.207 30.267 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.450 -10.825 31.850 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.748 -11.753 32.073 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.815 -9.955 32.839 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.320 -10.787 34.031 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.631 -9.932 35.099 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.401 -11.913 33.553 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.758 -8.850 33.284 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.865 -9.102 33.729 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.269 -7.609 33.119 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.334 -7.488 32.787 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.088 -6.457 33.496 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.485 -5.203 32.858 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 38.217 -4.024 33.190 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.638 -3.297 33.002 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.213 -6.301 35.001 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.397 -6.792 35.771 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.278 -5.563 35.372 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 39.901 -5.211 34.675 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.438 -5.157 36.767 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.811 -4.514 36.970 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.362 -4.187 37.232 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 37.980 -4.156 38.396 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.871 -3.423 36.234 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.259 -3.493 35.316 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.716 -2.561 36.462 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 36.977 -1.187 35.842 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 37.012 -1.220 34.030 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.411 -3.151 35.946 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.625 -2.486 35.281 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.216 -4.442 36.288 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.906 -4.937 36.817 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 33.979 -5.104 35.870 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.057 -6.620 36.085 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.133 -6.957 37.558 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.227 -6.756 38.313 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 36.080 -6.378 38.012 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.124 -7.502 38.359 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.628 -7.626 39.611 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.921 -7.167 39.583 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.721 -4.546 36.505 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.742 -3.881 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.616 -4.865 35.813 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.685 -5.431 34.992 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.326 -4.383 36.291 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.358 -4.277 35.108 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.077 -3.565 35.520 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 30.004 -3.570 33.913 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.760 -5.242 37.413 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.728 -6.465 37.339 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.332 -4.522 38.469 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.361 -3.523 38.435 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.779 -5.223 39.627 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.138 -4.494 40.925 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.626 -4.539 41.192 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.294 -5.661 41.518 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.918 -6.562 41.601 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.524 -3.468 41.179 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.745 -3.958 41.505 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.604 -5.305 41.715 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.277 -5.451 39.568 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.518 -4.715 38.949 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.914 -6.531 40.286 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.648 -7.075 40.693 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.524 -6.942 40.501 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.001 -7.683 39.252 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.528 -8.064 39.329 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.180 -8.972 40.077 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.731 -7.476 38.605 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.504 -7.818 41.744 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.465 -8.524 42.028 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.375 -7.730 42.481 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.624 -7.149 42.171 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.273 -8.483 43.736 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.980 -8.138 44.480 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.874 -6.664 44.877 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.679 -6.466 45.790 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.741 -6.900 46.940 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.695 -5.872 45.353 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.400 -9.994 43.613 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.166 -10.633 44.324 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.605 -10.526 42.668 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 23.035 -9.934 42.100 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.564 -11.978 42.508 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.144 -12.502 42.800 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.110 -12.056 41.782 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.543 -13.023 40.923 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.708 -10.702 41.713 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.565 -12.635 39.986 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.736 -10.310 40.774 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.173 -11.281 39.920 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.118 -12.522 41.198 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.090 -13.722 40.949 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.618 -11.581 40.370 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.620 -10.618 40.637 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.131 -11.961 39.054 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.123 -11.623 37.956 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.806 -12.390 38.045 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.758 -11.831 37.091 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.481 -10.428 37.390 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 22.024 -9.919 38.058 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.510 -9.779 36.722 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.723 -10.413 35.854 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.016 -9.901 35.370 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.828 -11.392 35.682 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.339 -8.480 36.933 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.632 -7.985 36.428 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 20.915 -7.991 37.588 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.439 -11.268 38.743 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.820 -10.287 39.370 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.104 -11.835 37.721 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.763 -12.677 37.304 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.362 -11.239 37.282 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.537 -11.792 38.113 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.776 -11.218 37.684 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.459 -11.629 38.197 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.617 -13.322 38.102 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.590 -11.426 35.794 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.243 -12.444 35.206 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.221 -10.380 35.221 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.405 -9.554 35.754 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.713 -10.506 33.851 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.146 -9.141 33.311 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.885 -11.463 33.773 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.697 -11.558 34.688 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.906 -12.199 32.647 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.214 -12.064 31.936 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.873 -13.290 32.589 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.279 -14.564 33.198 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.357 -13.610 31.194 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.716 -13.316 30.195 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.537 -14.255 31.185 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.036 -14.381 32.042 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 34.026 -14.824 29.931 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.228 -14.050 29.369 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.539 -14.520 27.948 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.018 -12.536 29.387 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.385 -16.282 30.141 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.367 -16.613 30.795 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.508 -17.140 29.587 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.753 -16.809 29.023 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.621 -18.553 29.937 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.406 -18.984 30.758 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.267 -18.196 32.066 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.934 -18.475 32.731 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.896 -18.554 33.957 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.934 -18.595 32.028 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.474 28.751 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.211 -19.279 27.691 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.586 -20.516 29.007 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.065 -20.566 29.882 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.737 -21.566 28.005 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.530 -22.732 28.566 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.912 -22.731 29.730 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.797 -23.736 27.692 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.664 -24.868 28.012 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.311 -23.769 26.307 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.380 -24.643 25.649 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.743 -25.673 26.719 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 33.912 -24.357 26.168 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.404 -25.074 27.021 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.330 -24.009 25.009 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.801 -23.387 24.387 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.067 -24.626 24.618 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.970 -23.569 24.439 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.507 -23.014 25.768 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.203 -21.940 26.366 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.369 -23.579 26.386 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.755 -21.425 27.598 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.918 -23.062 27.615 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.616 -21.989 28.209 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.249 -25.392 23.328 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.097 -25.070 22.507 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.400 -26.422 23.177 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.763 -26.679 23.902 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.375 -27.050 21.861 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.292 -28.584 21.989 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.045 -29.047 22.749 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.461 -29.282 20.634 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.289 -26.462 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.143 -26.285 21.370 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.737 -26.144 19.746 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.694 -26.300 19.507 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.810 -25.601 18.762 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.754 -24.069 18.818 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.599 -23.624 20.168 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.661 -22.678 20.150 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.614 -23.514 17.958 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.184 -26.073 17.377 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.226 -25.733 16.830 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.267 -26.897 16.844 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.412 -27.082 17.327 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.518 -27.448 15.517 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.728 -28.745 15.318 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.813 -29.748 16.476 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.864 -30.925 16.251 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.240 -30.218 16.767 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.158 -26.454 14.434 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.317 -25.584 14.630 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.843 -26.634 13.285 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.533 -27.356 13.246 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.515 -25.870 12.074 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.163 -26.320 11.493 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.145 -27.804 11.170 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.204 -28.477 11.586 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.061 -28.280 10.499 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.553 -24.351 12.201 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.698 -23.645 11.679 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.589 -23.884 12.932 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.245 -24.524 13.332 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.729 -22.443 13.166 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.802 -22.162 14.214 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.479 -22.714 15.598 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.714 -22.251 16.821 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.140 -22.994 16.013 1.00 0.00 A4 C -ATOM 3541 C MET A 379 31.003 -21.582 11.944 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.701 -20.395 11.930 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.574 -22.243 10.914 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.822 -23.206 11.015 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.790 -21.559 9.636 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.660 -22.406 8.707 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.119 -22.533 9.162 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.803 -21.173 9.218 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.585 -20.350 8.327 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.560 -20.945 10.159 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.532 -21.139 8.902 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.516 -20.150 8.178 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.468 -21.929 9.152 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.561 -22.736 9.736 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.164 -21.582 8.588 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.200 -22.772 8.651 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.771 -23.992 7.949 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.232 -23.869 6.815 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.745 -25.067 8.541 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.492 -20.363 9.197 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.496 -19.882 8.681 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.072 -19.874 10.311 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.895 -20.290 10.696 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.500 -18.669 10.908 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.829 -18.617 12.399 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.285 -20.102 13.275 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.862 -17.363 10.218 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.155 -16.370 10.334 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.415 9.471 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.509 -18.264 9.397 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.376 -16.228 8.711 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.544 -16.004 7.461 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.186 -16.931 6.743 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.250 -14.706 7.251 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.608 -14.009 7.872 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.484 -14.326 6.066 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.614 -13.104 6.406 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.819 -12.596 5.221 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.720 -13.340 4.742 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 23.990 -12.847 3.647 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.207 -11.378 4.629 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.476 -10.884 3.537 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.375 -11.624 3.061 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.651 -11.137 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.004 -10.300 1.718 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.378 -14.079 4.864 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.437 -13.470 4.957 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.885 -14.594 3.723 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.010 -15.077 3.722 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.649 -14.407 2.491 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.047 -15.754 1.880 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.912 -16.544 2.842 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.991 -16.126 3.245 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.371 -17.725 3.185 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.482 -17.996 2.815 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.846 -18.346 3.808 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.912 -13.572 1.464 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.706 -13.366 1.523 1.00 0.00 A4 O -ENDMDL -MODEL 2 -REMARK START VDW: 327422.196 -REMARK START VDW03: 569.435 -REMARK START Bonds 1222102.828 -REMARK START Angles: 2390.122 -REMARK START Torsions: 734.522 -REMARK START Impropers: 190.296 -REMARK START Total: 1553409.399 -REMARK -REMARK FINAL VDW: -2234.393 -REMARK FINAL VDW03: 357.346 -REMARK FINAL Bonds 518.452 -REMARK FINAL Angles: 1465.346 -REMARK FINAL Torsions: 978.711 -REMARK FINAL Impropers: 225.995 -REMARK FINAL Total: 1311.456 -ATOM 1 N GLU A 1 52.110 4.112 30.265 1.00 0.00 A0 N -ATOM 2 H GLU A 1 52.146 3.300 30.846 0.00 0.00 A0 H -ATOM 3 CA GLU A 1 51.954 5.408 30.914 1.00 0.00 A0 C -ATOM 4 CB GLU A 1 53.235 6.178 30.827 1.00 0.00 A0 C -ATOM 5 CG GLU A 1 54.363 5.453 31.564 1.00 0.00 A0 C -ATOM 6 CD GLU A 1 55.640 6.243 31.399 1.00 0.00 A0 C -ATOM 7 OE1 GLU A 1 55.863 6.863 30.362 1.00 0.00 A0 O -ATOM 8 OE2 GLU A 1 56.420 6.255 32.334 1.00 0.00 A0 O -ATOM 9 C GLU A 1 50.845 6.222 30.369 1.00 0.00 A0 C -ATOM 10 O GLU A 1 50.897 7.427 30.151 1.00 0.00 A0 O -ATOM 11 N MET A 2 49.812 5.436 30.117 1.00 0.00 A0 N -ATOM 12 H MET A 2 49.926 4.447 29.974 0.00 0.00 A0 H -ATOM 13 CA MET A 2 48.581 6.140 29.807 1.00 0.00 A0 C -ATOM 14 CB MET A 2 48.483 6.285 28.274 1.00 0.00 A0 C -ATOM 15 CG MET A 2 49.167 7.312 27.348 1.00 0.00 A0 C -ATOM 16 SD MET A 2 48.675 7.465 25.608 1.00 0.00 A0 S -ATOM 17 CE MET A 2 49.603 6.101 24.859 1.00 0.00 A0 C -ATOM 18 C MET A 2 47.321 5.523 30.451 1.00 0.00 A0 C -ATOM 19 O MET A 2 46.264 6.127 30.352 1.00 0.00 A0 O -ATOM 20 N VAL A 3 47.466 4.326 31.108 1.00 0.00 A0 N -ATOM 21 H VAL A 3 48.280 3.763 31.064 0.00 0.00 A0 H -ATOM 22 CA VAL A 3 46.452 3.716 31.990 1.00 0.00 A0 C -ATOM 23 CB VAL A 3 47.111 2.688 32.967 1.00 0.00 A0 C -ATOM 24 CG1 VAL A 3 46.184 2.095 34.050 1.00 0.00 A0 C -ATOM 25 CG2 VAL A 3 47.758 1.569 32.147 1.00 0.00 A0 C -ATOM 26 C VAL A 3 45.579 4.724 32.717 1.00 0.00 A0 C -ATOM 27 O VAL A 3 46.053 5.541 33.498 1.00 0.00 A0 O -ATOM 28 N ASP A 4 44.304 4.648 32.295 1.00 0.00 A0 N -ATOM 29 H ASP A 4 43.960 3.780 31.951 0.00 0.00 A0 H -ATOM 30 CA ASP A 4 43.335 5.718 32.359 1.00 0.00 A0 C -ATOM 31 CB ASP A 4 43.156 6.231 33.804 1.00 0.00 A0 C -ATOM 32 CG ASP A 4 43.273 5.147 34.912 1.00 0.00 A0 C -ATOM 33 OD1 ASP A 4 43.882 5.434 35.961 1.00 0.00 A0 O -ATOM 34 OD2 ASP A 4 42.763 4.028 34.720 1.00 0.00 A0 O -ATOM 35 C ASP A 4 43.399 6.794 31.201 1.00 0.00 A0 C -ATOM 36 O ASP A 4 43.536 7.979 31.465 1.00 0.00 A0 O -ATOM 37 N ASN A 5 43.179 6.398 29.855 1.00 0.00 A0 N -ATOM 38 H ASN A 5 43.739 5.614 29.548 0.00 0.00 A0 H -ATOM 39 CA ASN A 5 42.496 7.339 28.855 1.00 0.00 A0 C -ATOM 40 CB ASN A 5 41.718 6.978 27.457 1.00 0.00 A0 C -ATOM 41 CG ASN A 5 41.924 6.211 26.097 1.00 0.00 A0 C -ATOM 42 OD1 ASN A 5 41.627 5.034 25.991 1.00 0.00 A0 O -ATOM 43 ND2 ASN A 5 42.304 6.862 24.961 1.00 0.00 A0 N -ATOM 44 HD21 ASN A 5 41.881 6.386 24.186 0.00 0.00 A0 H -ATOM 45 HD22 ASN A 5 43.067 7.502 24.700 0.00 0.00 A0 H -ATOM 46 C ASN A 5 41.185 7.711 29.507 1.00 0.00 A0 C -ATOM 47 O ASN A 5 40.879 8.799 29.999 1.00 0.00 A0 O -ATOM 48 N LEU A 6 40.448 6.572 29.499 1.00 0.00 A0 N -ATOM 49 H LEU A 6 40.891 5.704 29.731 0.00 0.00 A0 H -ATOM 50 CA LEU A 6 39.021 6.578 29.318 1.00 0.00 A0 C -ATOM 51 CB LEU A 6 38.597 5.127 28.949 1.00 0.00 A0 C -ATOM 52 CG LEU A 6 39.341 4.628 27.665 1.00 0.00 A0 C -ATOM 53 CD1 LEU A 6 39.921 3.249 27.728 1.00 0.00 A0 C -ATOM 54 CD2 LEU A 6 38.653 4.549 26.338 1.00 0.00 A0 C -ATOM 55 C LEU A 6 38.625 7.174 30.623 1.00 0.00 A0 C -ATOM 56 O LEU A 6 39.027 6.771 31.695 1.00 0.00 A0 O -ATOM 57 N ARG A 7 38.046 8.335 30.409 1.00 0.00 A0 N -ATOM 58 H ARG A 7 38.036 8.633 29.444 0.00 0.00 A0 H -ATOM 59 CA ARG A 7 37.031 8.669 31.366 1.00 0.00 A0 C -ATOM 60 CB ARG A 7 37.220 10.058 32.030 1.00 0.00 A0 C -ATOM 61 CG ARG A 7 38.606 10.502 32.567 1.00 0.00 A0 C -ATOM 62 CD ARG A 7 39.000 9.924 33.919 1.00 0.00 A0 C -ATOM 63 NE ARG A 7 40.222 10.535 34.451 1.00 0.00 A0 N -ATOM 64 HE ARG A 7 40.216 11.402 34.955 0.00 0.00 A0 H -ATOM 65 CZ ARG A 7 41.335 9.777 34.425 1.00 0.00 A0 C -ATOM 66 NH1 ARG A 7 41.466 8.814 33.519 1.00 0.00 A0 N -ATOM 67 HH11 ARG A 7 42.266 8.218 33.535 0.00 0.00 A0 H -ATOM 68 HH12 ARG A 7 40.777 8.682 32.808 0.00 0.00 A0 H -ATOM 69 NH2 ARG A 7 42.306 9.972 35.312 1.00 0.00 A0 N -ATOM 70 HH21 ARG A 7 43.120 9.390 35.292 0.00 0.00 A0 H -ATOM 71 HH22 ARG A 7 42.216 10.685 36.008 0.00 0.00 A0 H -ATOM 72 C ARG A 7 35.919 8.507 30.362 1.00 0.00 A0 C -ATOM 73 O ARG A 7 35.779 7.467 29.740 1.00 0.00 A0 O -ATOM 74 N GLY A 8 35.237 9.586 30.099 1.00 0.00 A0 N -ATOM 75 H GLY A 8 35.531 10.522 30.261 0.00 0.00 A0 H -ATOM 76 CA GLY A 8 34.251 9.500 29.063 1.00 0.00 A0 C -ATOM 77 C GLY A 8 33.276 10.476 29.563 1.00 0.00 A0 C -ATOM 78 O GLY A 8 33.287 10.848 30.730 1.00 0.00 A0 O -ATOM 79 N LYS A 9 32.393 10.836 28.652 1.00 0.00 A0 N -ATOM 80 H LYS A 9 32.531 10.746 27.663 0.00 0.00 A0 H -ATOM 81 CA LYS A 9 31.103 10.904 29.293 1.00 0.00 A0 C -ATOM 82 CB LYS A 9 30.464 12.261 29.057 1.00 0.00 A0 C -ATOM 83 CG LYS A 9 31.297 13.399 29.648 1.00 0.00 A0 C -ATOM 84 CD LYS A 9 30.596 14.729 29.410 1.00 0.00 A0 C -ATOM 85 CE LYS A 9 31.302 15.926 30.038 1.00 0.00 A0 C -ATOM 86 NZ LYS A 9 30.490 17.116 29.752 1.00 0.00 A0 N -ATOM 87 HZ1 LYS A 9 30.967 17.965 30.115 0.00 0.00 A0 H -ATOM 88 HZ2 LYS A 9 30.374 17.197 28.724 0.00 0.00 A0 H -ATOM 89 HZ3 LYS A 9 29.547 17.024 30.182 0.00 0.00 A0 H -ATOM 90 C LYS A 9 30.297 9.748 28.778 1.00 0.00 A0 C -ATOM 91 O LYS A 9 30.547 9.245 27.690 1.00 0.00 A0 O -ATOM 92 N SER A 10 29.329 9.344 29.618 1.00 0.00 A0 N -ATOM 93 H SER A 10 29.308 9.707 30.549 0.00 0.00 A0 H -ATOM 94 CA SER A 10 28.375 8.325 29.180 1.00 0.00 A0 C -ATOM 95 CB SER A 10 27.387 8.039 30.312 1.00 0.00 A0 C -ATOM 96 OG SER A 10 26.497 6.987 29.933 1.00 0.00 A0 O -ATOM 97 HG SER A 10 25.828 6.944 30.603 0.00 0.00 A0 H -ATOM 98 C SER A 10 27.633 8.687 27.900 1.00 0.00 A0 C -ATOM 99 O SER A 10 26.991 9.725 27.796 1.00 0.00 A0 O -ATOM 100 N GLY A 11 27.778 7.764 26.927 1.00 0.00 A0 N -ATOM 101 H GLY A 11 28.341 6.958 27.107 0.00 0.00 A0 H -ATOM 102 CA GLY A 11 27.151 7.960 25.617 1.00 0.00 A0 C -ATOM 103 C GLY A 11 27.821 8.964 24.695 1.00 0.00 A0 C -ATOM 104 O GLY A 11 27.304 9.317 23.642 1.00 0.00 A0 O -ATOM 105 N GLN A 12 28.999 9.418 25.152 1.00 0.00 A0 N -ATOM 106 H GLN A 12 29.440 9.016 25.952 0.00 0.00 A0 H -ATOM 107 CA GLN A 12 29.747 10.379 24.359 1.00 0.00 A0 C -ATOM 108 CB GLN A 12 29.823 11.721 25.085 1.00 0.00 A0 C -ATOM 109 CG GLN A 12 28.403 12.250 25.316 1.00 0.00 A0 C -ATOM 110 CD GLN A 12 28.438 13.608 25.972 1.00 0.00 A0 C -ATOM 111 OE1 GLN A 12 29.472 14.213 26.145 1.00 0.00 A0 O -ATOM 112 NE2 GLN A 12 27.249 14.100 26.320 1.00 0.00 A0 N -ATOM 113 HE21 GLN A 12 26.413 13.564 26.249 0.00 0.00 A0 H -ATOM 114 HE22 GLN A 12 27.213 15.038 26.662 0.00 0.00 A0 H -ATOM 115 C GLN A 12 31.110 9.845 24.012 1.00 0.00 A0 C -ATOM 116 O GLN A 12 31.997 10.580 23.621 1.00 0.00 A0 O -ATOM 117 N GLY A 13 31.231 8.515 24.164 1.00 0.00 A0 N -ATOM 118 H GLY A 13 30.525 7.980 24.621 0.00 0.00 A0 H -ATOM 119 CA GLY A 13 32.446 7.868 23.710 1.00 0.00 A0 C -ATOM 120 C GLY A 13 33.587 8.008 24.696 1.00 0.00 A0 C -ATOM 121 O GLY A 13 33.534 8.658 25.735 1.00 0.00 A0 O -ATOM 122 N TYR A 14 34.619 7.308 24.242 1.00 0.00 A0 N -ATOM 123 H TYR A 14 34.494 6.816 23.392 0.00 0.00 A0 H -ATOM 124 CA TYR A 14 35.889 7.139 24.885 1.00 0.00 A0 C -ATOM 125 CB TYR A 14 35.945 5.666 25.248 1.00 0.00 A0 C -ATOM 126 CG TYR A 14 35.088 5.148 26.413 1.00 0.00 A0 C -ATOM 127 CD1 TYR A 14 33.849 4.525 26.129 1.00 0.00 A0 C -ATOM 128 CE1 TYR A 14 33.151 3.856 27.151 1.00 0.00 A0 C -ATOM 129 CD2 TYR A 14 35.570 5.191 27.745 1.00 0.00 A0 C -ATOM 130 CE2 TYR A 14 34.880 4.521 28.774 1.00 0.00 A0 C -ATOM 131 CZ TYR A 14 33.688 3.846 28.451 1.00 0.00 A0 C -ATOM 132 OH TYR A 14 33.016 3.150 29.428 1.00 0.00 A0 O -ATOM 133 HH TYR A 14 33.429 3.305 30.262 0.00 0.00 A0 H -ATOM 134 C TYR A 14 36.950 7.570 23.849 1.00 0.00 A0 C -ATOM 135 O TYR A 14 36.668 7.662 22.665 1.00 0.00 A0 O -ATOM 136 N TYR A 15 38.147 7.860 24.383 1.00 0.00 A0 N -ATOM 137 H TYR A 15 38.513 7.286 25.112 0.00 0.00 A0 H -ATOM 138 CA TYR A 15 38.850 9.139 24.509 1.00 0.00 A0 C -ATOM 139 CB TYR A 15 38.532 8.960 26.018 1.00 0.00 A0 C -ATOM 140 CG TYR A 15 38.230 9.912 27.129 1.00 0.00 A0 C -ATOM 141 CD1 TYR A 15 39.223 10.146 28.068 1.00 0.00 A0 C -ATOM 142 CE1 TYR A 15 38.934 10.876 29.210 1.00 0.00 A0 C -ATOM 143 CD2 TYR A 15 36.959 10.434 27.288 1.00 0.00 A0 C -ATOM 144 CE2 TYR A 15 36.670 11.225 28.412 1.00 0.00 A0 C -ATOM 145 CZ TYR A 15 37.682 11.476 29.324 1.00 0.00 A0 C -ATOM 146 OH TYR A 15 37.495 12.397 30.313 1.00 0.00 A0 O -ATOM 147 HH TYR A 15 37.658 13.242 29.921 0.00 0.00 A0 H -ATOM 148 C TYR A 15 40.278 8.655 23.888 1.00 0.00 A0 C -ATOM 149 O TYR A 15 40.386 7.483 23.622 1.00 0.00 A0 O -ATOM 150 N VAL A 16 41.393 9.426 23.561 1.00 0.00 A0 N -ATOM 151 H VAL A 16 41.045 10.268 23.359 0.00 0.00 A0 H -ATOM 152 CA VAL A 16 42.936 9.346 23.380 1.00 0.00 A0 C -ATOM 153 CB VAL A 16 42.934 8.490 22.064 1.00 0.00 A0 C -ATOM 154 CG1 VAL A 16 42.193 8.866 20.825 1.00 0.00 A0 C -ATOM 155 CG2 VAL A 16 44.222 7.820 21.822 1.00 0.00 A0 C -ATOM 156 C VAL A 16 43.772 10.831 23.345 1.00 0.00 A0 C -ATOM 157 O VAL A 16 43.224 11.402 22.430 1.00 0.00 A0 O -ATOM 158 N GLU A 17 44.771 11.523 24.284 1.00 0.00 A0 N -ATOM 159 H GLU A 17 44.335 11.410 25.190 0.00 0.00 A0 H -ATOM 160 CA GLU A 17 45.635 12.886 24.457 1.00 0.00 A0 C -ATOM 161 CB GLU A 17 46.147 13.205 25.992 1.00 0.00 A0 C -ATOM 162 CG GLU A 17 46.906 14.627 26.430 1.00 0.00 A0 C -ATOM 163 CD GLU A 17 47.296 15.313 27.843 1.00 0.00 A0 C -ATOM 164 OE1 GLU A 17 46.382 15.719 28.545 1.00 0.00 A0 O -ATOM 165 OE2 GLU A 17 48.473 15.517 28.219 1.00 0.00 A0 O -ATOM 166 C GLU A 17 46.813 13.633 23.607 1.00 0.00 A0 C -ATOM 167 O GLU A 17 47.936 13.592 24.076 1.00 0.00 A0 O -ATOM 168 N MET A 18 46.659 14.305 22.377 1.00 0.00 A0 N -ATOM 169 H MET A 18 45.848 14.886 22.205 0.00 0.00 A0 H -ATOM 170 CA MET A 18 47.764 14.252 21.331 1.00 0.00 A0 C -ATOM 171 CB MET A 18 47.865 13.563 19.814 1.00 0.00 A0 C -ATOM 172 CG MET A 18 47.308 13.193 18.387 1.00 0.00 A0 C -ATOM 173 SD MET A 18 46.657 11.496 18.351 1.00 0.00 A0 S -ATOM 174 CE MET A 18 46.922 10.282 17.019 1.00 0.00 A0 C -ATOM 175 C MET A 18 48.326 15.566 21.066 1.00 0.00 A0 C -ATOM 176 O MET A 18 47.705 16.614 21.058 1.00 0.00 A0 O -ATOM 177 N THR A 19 49.558 15.372 20.638 1.00 0.00 A0 N -ATOM 178 H THR A 19 49.971 14.464 20.527 0.00 0.00 A0 H -ATOM 179 CA THR A 19 50.111 16.506 19.989 1.00 0.00 A0 C -ATOM 180 CB THR A 19 51.361 16.819 20.732 1.00 0.00 A0 C -ATOM 181 OG1 THR A 19 52.074 15.614 20.994 1.00 0.00 A0 O -ATOM 182 HG1 THR A 19 52.917 15.889 21.313 0.00 0.00 A0 H -ATOM 183 CG2 THR A 19 50.922 17.470 22.044 1.00 0.00 A0 C -ATOM 184 C THR A 19 50.245 16.153 18.563 1.00 0.00 A0 C -ATOM 185 O THR A 19 50.691 15.103 18.117 1.00 0.00 A0 O -ATOM 186 N VAL A 20 49.735 17.153 17.885 1.00 0.00 A0 N -ATOM 187 H VAL A 20 49.328 17.915 18.387 0.00 0.00 A0 H -ATOM 188 CA VAL A 20 49.997 17.158 16.476 1.00 0.00 A0 C -ATOM 189 CB VAL A 20 48.700 17.023 15.684 1.00 0.00 A0 C -ATOM 190 CG1 VAL A 20 48.048 15.663 15.927 1.00 0.00 A0 C -ATOM 191 CG2 VAL A 20 47.749 18.149 16.022 1.00 0.00 A0 C -ATOM 192 C VAL A 20 50.763 18.420 16.200 1.00 0.00 A0 C -ATOM 193 O VAL A 20 50.516 19.480 16.763 1.00 0.00 A0 O -ATOM 194 N GLY A 21 51.755 18.227 15.332 1.00 0.00 A0 N -ATOM 195 H GLY A 21 51.927 17.324 14.942 0.00 0.00 A0 H -ATOM 196 CA GLY A 21 52.544 19.392 14.976 1.00 0.00 A0 C -ATOM 197 C GLY A 21 53.730 19.713 15.851 1.00 0.00 A0 C -ATOM 198 O GLY A 21 53.984 19.124 16.896 1.00 0.00 A0 O -ATOM 199 N SER A 22 54.433 20.726 15.321 1.00 0.00 A0 N -ATOM 200 H SER A 22 54.145 21.073 14.428 0.00 0.00 A0 H -ATOM 201 CA SER A 22 55.600 21.300 15.981 1.00 0.00 A0 C -ATOM 202 CB SER A 22 56.880 20.808 15.303 1.00 0.00 A0 C -ATOM 203 OG SER A 22 56.868 19.381 15.208 1.00 0.00 A0 O -ATOM 204 HG SER A 22 57.570 19.144 14.617 0.00 0.00 A0 H -ATOM 205 C SER A 22 55.529 22.815 15.892 1.00 0.00 A0 C -ATOM 206 O SER A 22 55.647 23.367 14.808 1.00 0.00 A0 O -ATOM 207 N PRO A 23 55.327 23.502 17.048 1.00 0.00 A0 N -ATOM 208 CD PRO A 23 55.223 24.959 17.063 1.00 0.00 A0 C -ATOM 209 CA PRO A 23 55.225 22.914 18.392 1.00 0.00 A0 C -ATOM 210 CB PRO A 23 55.372 24.157 19.284 1.00 0.00 A0 C -ATOM 211 CG PRO A 23 54.771 25.301 18.474 1.00 0.00 A0 C -ATOM 212 C PRO A 23 53.929 22.148 18.637 1.00 0.00 A0 C -ATOM 213 O PRO A 23 52.890 22.429 18.051 1.00 0.00 A0 O -ATOM 214 N PRO A 24 54.056 21.132 19.535 1.00 0.00 A0 N -ATOM 215 CD PRO A 24 55.282 20.721 20.220 1.00 0.00 A0 C -ATOM 216 CA PRO A 24 52.925 20.271 19.890 1.00 0.00 A0 C -ATOM 217 CB PRO A 24 53.511 19.429 21.020 1.00 0.00 A0 C -ATOM 218 CG PRO A 24 54.990 19.314 20.715 1.00 0.00 A0 C -ATOM 219 C PRO A 24 51.659 20.991 20.292 1.00 0.00 A0 C -ATOM 220 O PRO A 24 51.616 21.785 21.225 1.00 0.00 A0 O -ATOM 221 N GLN A 25 50.623 20.651 19.515 1.00 0.00 A0 N -ATOM 222 H GLN A 25 50.712 19.947 18.812 0.00 0.00 A0 H -ATOM 223 CA GLN A 25 49.322 21.162 19.891 1.00 0.00 A0 C -ATOM 224 CB GLN A 25 48.506 21.563 18.675 1.00 0.00 A0 C -ATOM 225 CG GLN A 25 49.181 22.757 18.011 1.00 0.00 A0 C -ATOM 226 CD GLN A 25 48.388 23.171 16.801 1.00 0.00 A0 C -ATOM 227 OE1 GLN A 25 47.170 23.270 16.830 1.00 0.00 A0 O -ATOM 228 NE2 GLN A 25 49.155 23.397 15.725 1.00 0.00 A0 N -ATOM 229 HE21 GLN A 25 50.151 23.331 15.781 0.00 0.00 A0 H -ATOM 230 HE22 GLN A 25 48.728 23.634 14.854 0.00 0.00 A0 H -ATOM 231 C GLN A 25 48.636 20.107 20.678 1.00 0.00 A0 C -ATOM 232 O GLN A 25 48.274 19.051 20.173 1.00 0.00 A0 O -ATOM 233 N THR A 26 48.509 20.469 21.972 1.00 0.00 A0 N -ATOM 234 H THR A 26 48.492 21.435 22.212 0.00 0.00 A0 H -ATOM 235 CA THR A 26 47.844 19.544 22.858 1.00 0.00 A0 C -ATOM 236 CB THR A 26 48.001 19.809 24.341 1.00 0.00 A0 C -ATOM 237 OG1 THR A 26 49.383 19.847 24.649 1.00 0.00 A0 O -ATOM 238 HG1 THR A 26 49.450 19.704 25.581 0.00 0.00 A0 H -ATOM 239 CG2 THR A 26 47.305 18.748 25.207 1.00 0.00 A0 C -ATOM 240 C THR A 26 46.432 19.737 22.489 1.00 0.00 A0 C -ATOM 241 O THR A 26 45.817 20.792 22.591 1.00 0.00 A0 O -ATOM 242 N LEU A 27 45.993 18.625 21.917 1.00 0.00 A0 N -ATOM 243 H LEU A 27 46.528 17.776 21.877 0.00 0.00 A0 H -ATOM 244 CA LEU A 27 44.594 18.634 21.600 1.00 0.00 A0 C -ATOM 245 CB LEU A 27 44.551 18.049 20.218 1.00 0.00 A0 C -ATOM 246 CG LEU A 27 44.922 19.172 19.277 1.00 0.00 A0 C -ATOM 247 CD1 LEU A 27 45.137 18.608 17.906 1.00 0.00 A0 C -ATOM 248 CD2 LEU A 27 43.960 20.324 19.383 1.00 0.00 A0 C -ATOM 249 C LEU A 27 44.127 17.857 22.767 1.00 0.00 A0 C -ATOM 250 O LEU A 27 44.612 18.229 23.835 1.00 0.00 A0 O -ATOM 251 N ASN A 28 43.287 16.803 22.499 1.00 0.00 A0 N -ATOM 252 H ASN A 28 42.537 17.238 22.042 0.00 0.00 A0 H -ATOM 253 CA ASN A 28 43.222 15.367 22.839 1.00 0.00 A0 C -ATOM 254 CB ASN A 28 43.786 15.629 24.324 1.00 0.00 A0 C -ATOM 255 CG ASN A 28 43.507 15.822 25.880 1.00 0.00 A0 C -ATOM 256 OD1 ASN A 28 44.180 15.198 26.697 1.00 0.00 A0 O -ATOM 257 ND2 ASN A 28 42.474 16.560 26.367 1.00 0.00 A0 N -ATOM 258 HD21 ASN A 28 41.739 16.996 25.811 0.00 0.00 A0 H -ATOM 259 HD22 ASN A 28 42.641 16.653 27.384 0.00 0.00 A0 H -ATOM 260 C ASN A 28 41.980 14.795 21.924 1.00 0.00 A0 C -ATOM 261 O ASN A 28 41.371 15.772 21.487 1.00 0.00 A0 O -ATOM 262 N ILE A 29 41.652 13.410 21.488 1.00 0.00 A0 N -ATOM 263 H ILE A 29 41.578 12.792 22.256 0.00 0.00 A0 H -ATOM 264 CA ILE A 29 40.829 12.723 20.293 1.00 0.00 A0 C -ATOM 265 CB ILE A 29 41.610 11.913 19.123 1.00 0.00 A0 C -ATOM 266 CG2 ILE A 29 40.981 10.776 18.418 1.00 0.00 A0 C -ATOM 267 CG1 ILE A 29 42.408 12.376 17.859 1.00 0.00 A0 C -ATOM 268 CD1 ILE A 29 41.630 12.925 16.826 1.00 0.00 A0 C -ATOM 269 C ILE A 29 39.860 11.514 20.767 1.00 0.00 A0 C -ATOM 270 O ILE A 29 40.216 10.934 21.759 1.00 0.00 A0 O -ATOM 271 N LEU A 30 38.712 11.048 20.097 1.00 0.00 A0 N -ATOM 272 H LEU A 30 38.304 11.605 19.385 0.00 0.00 A0 H -ATOM 273 CA LEU A 30 38.000 9.714 20.284 1.00 0.00 A0 C -ATOM 274 CB LEU A 30 36.591 9.697 19.584 1.00 0.00 A0 C -ATOM 275 CG LEU A 30 35.585 8.538 19.872 1.00 0.00 A0 C -ATOM 276 CD1 LEU A 30 34.610 8.913 20.972 1.00 0.00 A0 C -ATOM 277 CD2 LEU A 30 34.795 8.008 18.678 1.00 0.00 A0 C -ATOM 278 C LEU A 30 38.629 8.353 19.805 1.00 0.00 A0 C -ATOM 279 O LEU A 30 38.947 8.162 18.634 1.00 0.00 A0 O -ATOM 280 N VAL A 31 38.710 7.371 20.756 1.00 0.00 A0 N -ATOM 281 H VAL A 31 38.357 7.555 21.672 0.00 0.00 A0 H -ATOM 282 CA VAL A 31 39.049 5.995 20.331 1.00 0.00 A0 C -ATOM 283 CB VAL A 31 39.729 5.159 21.443 1.00 0.00 A0 C -ATOM 284 CG1 VAL A 31 39.733 3.627 21.284 1.00 0.00 A0 C -ATOM 285 CG2 VAL A 31 41.189 5.549 21.458 1.00 0.00 A0 C -ATOM 286 C VAL A 31 37.911 5.226 19.691 1.00 0.00 A0 C -ATOM 287 O VAL A 31 36.878 4.931 20.281 1.00 0.00 A0 O -ATOM 288 N ASP A 32 38.197 4.907 18.417 1.00 0.00 A0 N -ATOM 289 H ASP A 32 39.063 5.207 18.018 0.00 0.00 A0 H -ATOM 290 CA ASP A 32 37.183 4.258 17.598 1.00 0.00 A0 C -ATOM 291 CB ASP A 32 36.550 5.311 16.679 1.00 0.00 A0 C -ATOM 292 CG ASP A 32 35.371 4.787 15.870 1.00 0.00 A0 C -ATOM 293 OD1 ASP A 32 34.797 3.766 16.231 1.00 0.00 A0 O -ATOM 294 OD2 ASP A 32 35.029 5.409 14.869 1.00 0.00 A0 O -ATOM 295 C ASP A 32 37.732 3.093 16.801 1.00 0.00 A0 C -ATOM 296 O ASP A 32 38.367 3.273 15.771 1.00 0.00 A0 O -ATOM 297 N THR A 33 37.412 1.887 17.309 1.00 0.00 A0 N -ATOM 298 H THR A 33 36.862 1.822 18.142 0.00 0.00 A0 H -ATOM 299 CA THR A 33 37.821 0.686 16.577 1.00 0.00 A0 C -ATOM 300 CB THR A 33 37.953 -0.518 17.518 1.00 0.00 A0 C -ATOM 301 OG1 THR A 33 36.685 -0.880 18.071 1.00 0.00 A0 O -ATOM 302 HG1 THR A 33 36.823 -1.663 18.587 0.00 0.00 A0 H -ATOM 303 CG2 THR A 33 38.968 -0.259 18.629 1.00 0.00 A0 C -ATOM 304 C THR A 33 36.973 0.314 15.365 1.00 0.00 A0 C -ATOM 305 O THR A 33 37.260 -0.655 14.675 1.00 0.00 A0 O -ATOM 306 N GLY A 34 35.921 1.125 15.133 1.00 0.00 A0 N -ATOM 307 H GLY A 34 35.735 1.904 15.730 0.00 0.00 A0 H -ATOM 308 CA GLY A 34 35.074 0.853 13.971 1.00 0.00 A0 C -ATOM 309 C GLY A 34 35.203 1.818 12.802 1.00 0.00 A0 C -ATOM 310 O GLY A 34 34.353 1.849 11.920 1.00 0.00 A0 O -ATOM 311 N SER A 35 36.318 2.579 12.816 1.00 0.00 A0 N -ATOM 312 H SER A 35 36.920 2.579 13.615 0.00 0.00 A0 H -ATOM 313 CA SER A 35 36.680 3.349 11.622 1.00 0.00 A0 C -ATOM 314 CB SER A 35 36.121 4.778 11.669 1.00 0.00 A0 C -ATOM 315 OG SER A 35 36.781 5.548 12.677 1.00 0.00 A0 O -ATOM 316 HG SER A 35 36.324 6.377 12.724 0.00 0.00 A0 H -ATOM 317 C SER A 35 38.181 3.344 11.432 1.00 0.00 A0 C -ATOM 318 O SER A 35 38.891 2.751 12.231 1.00 0.00 A0 O -ATOM 319 N SER A 36 38.642 4.019 10.358 1.00 0.00 A0 N -ATOM 320 H SER A 36 38.022 4.454 9.707 0.00 0.00 A0 H -ATOM 321 CA SER A 36 40.087 3.982 10.122 1.00 0.00 A0 C -ATOM 322 CB SER A 36 40.408 2.924 9.076 1.00 0.00 A0 C -ATOM 323 OG SER A 36 39.867 1.687 9.535 1.00 0.00 A0 O -ATOM 324 HG SER A 36 39.961 1.060 8.835 0.00 0.00 A0 H -ATOM 325 C SER A 36 40.752 5.304 9.786 1.00 0.00 A0 C -ATOM 326 O SER A 36 41.889 5.349 9.330 1.00 0.00 A0 O -ATOM 327 N ASN A 37 39.986 6.382 10.042 1.00 0.00 A0 N -ATOM 328 H ASN A 37 39.069 6.286 10.424 0.00 0.00 A0 H -ATOM 329 CA ASN A 37 40.553 7.703 9.797 1.00 0.00 A0 C -ATOM 330 CB ASN A 37 39.595 8.578 8.990 1.00 0.00 A0 C -ATOM 331 CG ASN A 37 39.537 8.093 7.560 1.00 0.00 A0 C -ATOM 332 OD1 ASN A 37 38.880 7.113 7.233 1.00 0.00 A0 O -ATOM 333 ND2 ASN A 37 40.262 8.850 6.720 1.00 0.00 A0 N -ATOM 334 HD21 ASN A 37 40.787 9.636 7.047 0.00 0.00 A0 H -ATOM 335 HD22 ASN A 37 40.287 8.633 5.746 0.00 0.00 A0 H -ATOM 336 C ASN A 37 40.942 8.434 11.057 1.00 0.00 A0 C -ATOM 337 O ASN A 37 40.197 8.533 12.025 1.00 0.00 A0 O -ATOM 338 N PHE A 38 42.165 8.975 10.954 1.00 0.00 A0 N -ATOM 339 H PHE A 38 42.706 8.834 10.126 0.00 0.00 A0 H -ATOM 340 CA PHE A 38 42.606 9.932 11.955 1.00 0.00 A0 C -ATOM 341 CB PHE A 38 44.099 9.703 12.237 1.00 0.00 A0 C -ATOM 342 CG PHE A 38 44.670 10.669 13.253 1.00 0.00 A0 C -ATOM 343 CD1 PHE A 38 45.948 11.217 13.014 1.00 0.00 A0 C -ATOM 344 CD2 PHE A 38 43.938 11.010 14.411 1.00 0.00 A0 C -ATOM 345 CE1 PHE A 38 46.481 12.156 13.916 1.00 0.00 A0 C -ATOM 346 CE2 PHE A 38 44.473 11.954 15.304 1.00 0.00 A0 C -ATOM 347 CZ PHE A 38 45.722 12.545 15.036 1.00 0.00 A0 C -ATOM 348 C PHE A 38 42.297 11.327 11.461 1.00 0.00 A0 C -ATOM 349 O PHE A 38 42.816 11.785 10.454 1.00 0.00 A0 O -ATOM 350 N ALA A 39 41.389 11.952 12.219 1.00 0.00 A0 N -ATOM 351 H ALA A 39 40.998 11.528 13.030 0.00 0.00 A0 H -ATOM 352 CA ALA A 39 40.919 13.261 11.841 1.00 0.00 A0 C -ATOM 353 CB ALA A 39 39.566 13.196 11.150 1.00 0.00 A0 C -ATOM 354 C ALA A 39 40.746 14.073 13.073 1.00 0.00 A0 C -ATOM 355 O ALA A 39 40.280 13.654 14.115 1.00 0.00 A0 O -ATOM 356 N VAL A 40 41.177 15.304 12.873 1.00 0.00 A0 N -ATOM 357 H VAL A 40 41.409 15.656 11.979 0.00 0.00 A0 H -ATOM 358 CA VAL A 40 40.868 16.355 13.792 1.00 0.00 A0 C -ATOM 359 CB VAL A 40 42.099 16.881 14.492 1.00 0.00 A0 C -ATOM 360 CG1 VAL A 40 42.868 15.598 14.796 1.00 0.00 A0 C -ATOM 361 CG2 VAL A 40 43.218 17.376 13.621 1.00 0.00 A0 C -ATOM 362 C VAL A 40 40.354 17.378 12.895 1.00 0.00 A0 C -ATOM 363 O VAL A 40 40.901 17.624 11.840 1.00 0.00 A0 O -ATOM 364 N GLY A 41 39.295 17.937 13.431 1.00 0.00 A0 N -ATOM 365 H GLY A 41 39.027 17.336 14.181 0.00 0.00 A0 H -ATOM 366 CA GLY A 41 38.925 19.324 13.248 1.00 0.00 A0 C -ATOM 367 C GLY A 41 40.131 20.233 13.250 1.00 0.00 A0 C -ATOM 368 O GLY A 41 41.033 20.136 14.058 1.00 0.00 A0 O -ATOM 369 N ALA A 42 40.111 21.113 12.265 1.00 0.00 A0 N -ATOM 370 H ALA A 42 39.193 21.228 11.878 0.00 0.00 A0 H -ATOM 371 CA ALA A 42 41.209 22.066 12.057 1.00 0.00 A0 C -ATOM 372 CB ALA A 42 42.122 21.575 10.928 1.00 0.00 A0 C -ATOM 373 C ALA A 42 40.577 23.408 11.706 1.00 0.00 A0 C -ATOM 374 O ALA A 42 41.181 24.377 11.241 1.00 0.00 A0 O -ATOM 375 N ALA A 43 39.261 23.345 11.996 1.00 0.00 A0 N -ATOM 376 H ALA A 43 38.815 22.645 11.427 0.00 0.00 A0 H -ATOM 377 CA ALA A 43 38.739 23.577 13.344 1.00 0.00 A0 C -ATOM 378 CB ALA A 43 37.499 24.370 12.816 1.00 0.00 A0 C -ATOM 379 C ALA A 43 38.580 22.247 14.320 1.00 0.00 A0 C -ATOM 380 O ALA A 43 37.471 21.718 14.186 1.00 0.00 A0 O -ATOM 381 N PRO A 44 39.284 22.018 15.623 1.00 0.00 A0 N -ATOM 382 CD PRO A 44 38.802 23.247 16.216 1.00 0.00 A0 C -ATOM 383 CA PRO A 44 40.199 21.080 16.663 1.00 0.00 A0 C -ATOM 384 CB PRO A 44 39.315 21.559 17.759 1.00 0.00 A0 C -ATOM 385 CG PRO A 44 38.228 22.572 17.467 1.00 0.00 A0 C -ATOM 386 C PRO A 44 41.161 19.868 17.546 1.00 0.00 A0 C -ATOM 387 O PRO A 44 41.262 20.267 18.647 1.00 0.00 A0 O -ATOM 388 N HIS A 45 41.906 18.547 17.476 1.00 0.00 A0 N -ATOM 389 H HIS A 45 42.486 18.423 16.705 0.00 0.00 A0 H -ATOM 390 CA HIS A 45 42.043 17.278 18.526 1.00 0.00 A0 C -ATOM 391 CB HIS A 45 40.662 16.698 18.534 1.00 0.00 A0 C -ATOM 392 CG HIS A 45 39.584 17.412 17.776 1.00 0.00 A0 C -ATOM 393 ND1 HIS A 45 38.525 18.047 18.281 1.00 0.00 A0 N -ATOM 394 HD1 HIS A 45 38.086 17.971 19.129 0.00 0.00 A0 H -ATOM 395 CD2 HIS A 45 39.434 17.572 16.430 1.00 0.00 A0 C -ATOM 396 NE2 HIS A 45 38.310 18.308 16.196 1.00 0.00 A0 N -ATOM 397 CE1 HIS A 45 37.742 18.612 17.353 1.00 0.00 A0 C -ATOM 398 C HIS A 45 43.087 15.749 18.626 1.00 0.00 A0 C -ATOM 399 O HIS A 45 43.371 15.488 17.496 1.00 0.00 A0 O -ATOM 400 N SER A 46P 43.685 14.678 19.591 1.00 0.00 A0 N -ATOM 401 H SER A 46P 43.853 15.292 20.287 0.00 0.00 A0 H -ATOM 402 CA SER A 46P 44.481 13.269 19.843 1.00 0.00 A0 C -ATOM 403 CB SER A 46P 44.956 12.815 21.153 1.00 0.00 A0 C -ATOM 404 OG SER A 46P 46.199 11.962 21.319 1.00 0.00 A0 O -ATOM 405 HG SER A 46P 46.329 11.656 22.232 0.00 0.00 A0 H -ATOM 406 C SER A 46P 44.295 11.668 19.659 1.00 0.00 A0 C -ATOM 407 O SER A 46P 44.626 10.563 20.062 1.00 0.00 A0 O -ATOM 408 N PRO A 46 42.552 12.468 25.830 1.00 0.00 A1 N -ATOM 409 CD PRO A 46 41.662 13.601 25.624 1.00 0.00 A1 C -ATOM 410 CA PRO A 46 41.789 11.367 25.794 1.00 0.00 A1 C -ATOM 411 CB PRO A 46 41.317 12.000 24.350 1.00 0.00 A1 C -ATOM 412 CG PRO A 46 40.685 13.212 24.608 1.00 0.00 A1 C -ATOM 413 C PRO A 46 42.508 10.061 26.513 1.00 0.00 A1 C -ATOM 414 O PRO A 46 41.702 9.899 27.385 1.00 0.00 A1 O -ATOM 415 N PHE A 47P 43.673 9.083 26.533 1.00 0.00 A1 N -ATOM 416 H PHE A 47P 43.475 8.433 27.251 0.00 0.00 A1 H -ATOM 417 CA PHE A 47P 44.935 8.234 26.270 1.00 0.00 A1 C -ATOM 418 CB PHE A 47P 44.802 6.658 25.977 1.00 0.00 A1 C -ATOM 419 CG PHE A 47P 45.515 5.504 26.613 1.00 0.00 A1 C -ATOM 420 CD1 PHE A 47P 46.597 5.122 25.829 1.00 0.00 A1 C -ATOM 421 CD2 PHE A 47P 45.118 4.862 27.810 1.00 0.00 A1 C -ATOM 422 CE1 PHE A 47P 47.416 4.124 26.345 1.00 0.00 A1 C -ATOM 423 CE2 PHE A 47P 45.955 3.835 28.280 1.00 0.00 A1 C -ATOM 424 CZ PHE A 47P 47.137 3.508 27.584 1.00 0.00 A1 C -ATOM 425 C PHE A 47P 45.825 8.472 27.389 1.00 0.00 A1 C -ATOM 426 O PHE A 47P 45.734 8.167 28.538 1.00 0.00 A1 O -ATOM 427 N PHE A 47 35.176 12.233 26.332 1.00 0.00 A2 N -ATOM 428 H PHE A 47 35.512 11.314 26.078 0.00 0.00 A2 H -ATOM 429 CA PHE A 47 36.226 13.249 26.062 1.00 0.00 A2 C -ATOM 430 CB PHE A 47 35.270 14.331 25.399 1.00 0.00 A2 C -ATOM 431 CG PHE A 47 35.204 15.191 24.029 1.00 0.00 A2 C -ATOM 432 CD1 PHE A 47 34.176 15.004 23.112 1.00 0.00 A2 C -ATOM 433 CD2 PHE A 47 35.883 16.415 23.798 1.00 0.00 A2 C -ATOM 434 CE1 PHE A 47 33.486 16.116 22.614 1.00 0.00 A2 C -ATOM 435 CE2 PHE A 47 35.249 17.602 23.456 1.00 0.00 A2 C -ATOM 436 CZ PHE A 47 33.905 17.380 23.099 1.00 0.00 A2 C -ATOM 437 C PHE A 47 37.210 13.578 27.234 1.00 0.00 A2 C -ATOM 438 O PHE A 47 36.471 14.039 28.077 1.00 0.00 A2 O -ATOM 439 N VAL A 48P 38.689 13.394 27.383 1.00 0.00 A2 N -ATOM 440 H VAL A 48P 38.614 12.723 26.651 0.00 0.00 A2 H -ATOM 441 CA VAL A 48P 39.816 13.633 28.560 1.00 0.00 A2 C -ATOM 442 CB VAL A 48P 41.519 13.502 28.748 1.00 0.00 A2 C -ATOM 443 CG1 VAL A 48P 42.167 14.089 30.116 1.00 0.00 A2 C -ATOM 444 CG2 VAL A 48P 42.465 12.318 28.769 1.00 0.00 A2 C -ATOM 445 C VAL A 48P 39.631 14.841 29.355 1.00 0.00 A2 C -ATOM 446 O VAL A 48P 38.828 14.808 30.260 1.00 0.00 A2 O -ATOM 447 N LEU A 48 36.052 22.721 19.108 1.00 0.00 A3 N -ATOM 448 H LEU A 48 36.621 23.559 19.150 0.00 0.00 A3 H -ATOM 449 CA LEU A 48 35.170 22.401 20.172 1.00 0.00 A3 C -ATOM 450 CB LEU A 48 35.474 20.956 20.518 1.00 0.00 A3 C -ATOM 451 CG LEU A 48 34.735 19.831 19.866 1.00 0.00 A3 C -ATOM 452 CD1 LEU A 48 34.502 19.850 18.326 1.00 0.00 A3 C -ATOM 453 CD2 LEU A 48 35.332 18.703 20.619 1.00 0.00 A3 C -ATOM 454 C LEU A 48 35.530 23.402 21.256 1.00 0.00 A3 C -ATOM 455 O LEU A 48 34.873 24.413 21.466 1.00 0.00 A3 O -ATOM 456 N HIS A 49 36.669 23.104 21.889 1.00 0.00 A3 N -ATOM 457 H HIS A 49 37.159 22.247 21.752 0.00 0.00 A3 H -ATOM 458 CA HIS A 49 37.197 24.087 22.811 1.00 0.00 A3 C -ATOM 459 CB HIS A 49 37.336 23.444 24.194 1.00 0.00 A3 C -ATOM 460 CG HIS A 49 36.032 22.983 24.819 1.00 0.00 A3 C -ATOM 461 ND1 HIS A 49 35.993 21.977 25.710 1.00 0.00 A3 N -ATOM 462 HD1 HIS A 49 36.773 21.450 25.990 0.00 0.00 A3 H -ATOM 463 CD2 HIS A 49 34.740 23.500 24.663 1.00 0.00 A3 C -ATOM 464 NE2 HIS A 49 33.920 22.792 25.478 1.00 0.00 A3 N -ATOM 465 CE1 HIS A 49 34.688 21.855 26.125 1.00 0.00 A3 C -ATOM 466 C HIS A 49 38.526 24.722 22.399 1.00 0.00 A3 C -ATOM 467 O HIS A 49 38.947 25.644 23.095 1.00 0.00 A3 O -ATOM 468 N ARG A 50 39.176 24.163 21.315 1.00 0.00 A3 N -ATOM 469 H ARG A 50 38.665 23.637 20.625 0.00 0.00 A3 H -ATOM 470 CA ARG A 50 40.599 24.463 21.035 1.00 0.00 A3 C -ATOM 471 CB ARG A 50 41.486 24.410 22.293 1.00 0.00 A3 C -ATOM 472 CG ARG A 50 41.325 23.173 23.185 1.00 0.00 A3 C -ATOM 473 CD ARG A 50 42.614 22.403 23.474 1.00 0.00 A3 C -ATOM 474 NE ARG A 50 42.226 21.079 23.955 1.00 0.00 A3 N -ATOM 475 HE ARG A 50 41.380 20.644 23.643 0.00 0.00 A3 H -ATOM 476 CZ ARG A 50 43.007 20.325 24.739 1.00 0.00 A3 C -ATOM 477 NH1 ARG A 50 44.223 20.723 25.115 1.00 0.00 A3 N -ATOM 478 HH11 ARG A 50 44.786 20.110 25.669 0.00 0.00 A3 H -ATOM 479 HH12 ARG A 50 44.586 21.616 24.845 0.00 0.00 A3 H -ATOM 480 NH2 ARG A 50 42.540 19.140 25.122 1.00 0.00 A3 N -ATOM 481 HH21 ARG A 50 43.105 18.533 25.682 0.00 0.00 A3 H -ATOM 482 HH22 ARG A 50 41.635 18.829 24.835 0.00 0.00 A3 H -ATOM 483 C ARG A 50 41.256 23.549 20.003 1.00 0.00 A3 C -ATOM 484 O ARG A 50 41.392 22.367 20.268 1.00 0.00 A3 O -ATOM 485 N TYR A 51 41.682 24.149 18.855 1.00 0.00 A3 N -ATOM 486 H TYR A 51 41.308 25.065 18.788 0.00 0.00 A3 H -ATOM 487 CA TYR A 51 42.222 23.466 17.648 1.00 0.00 A3 C -ATOM 488 CB TYR A 51 41.905 24.053 16.269 1.00 0.00 A3 C -ATOM 489 CG TYR A 51 41.445 25.429 15.930 1.00 0.00 A3 C -ATOM 490 CD1 TYR A 51 41.529 25.667 14.546 1.00 0.00 A3 C -ATOM 491 CE1 TYR A 51 41.063 26.876 14.032 1.00 0.00 A3 C -ATOM 492 CD2 TYR A 51 40.935 26.365 16.846 1.00 0.00 A3 C -ATOM 493 CE2 TYR A 51 40.434 27.570 16.326 1.00 0.00 A3 C -ATOM 494 CZ TYR A 51 40.506 27.802 14.932 1.00 0.00 A3 C -ATOM 495 OH TYR A 51 40.005 28.974 14.410 1.00 0.00 A3 O -ATOM 496 HH TYR A 51 39.544 29.452 15.086 0.00 0.00 A3 H -ATOM 497 C TYR A 51 43.590 22.899 17.266 1.00 0.00 A3 C -ATOM 498 O TYR A 51 44.659 23.284 17.711 1.00 0.00 A3 O -ATOM 499 N TYR A 52 43.443 22.035 16.213 1.00 0.00 A3 N -ATOM 500 H TYR A 52 42.561 21.601 16.041 0.00 0.00 A3 H -ATOM 501 CA TYR A 52 44.428 21.935 15.138 1.00 0.00 A3 C -ATOM 502 CB TYR A 52 44.245 20.639 14.349 1.00 0.00 A3 C -ATOM 503 CG TYR A 52 45.445 20.348 13.470 1.00 0.00 A3 C -ATOM 504 CD1 TYR A 52 46.742 20.699 13.905 1.00 0.00 A3 C -ATOM 505 CE1 TYR A 52 47.848 20.356 13.114 1.00 0.00 A3 C -ATOM 506 CD2 TYR A 52 45.226 19.700 12.239 1.00 0.00 A3 C -ATOM 507 CE2 TYR A 52 46.329 19.339 11.455 1.00 0.00 A3 C -ATOM 508 CZ TYR A 52 47.620 19.667 11.907 1.00 0.00 A3 C -ATOM 509 OH TYR A 52 48.691 19.295 11.130 1.00 0.00 A3 O -ATOM 510 HH TYR A 52 48.389 18.764 10.405 0.00 0.00 A3 H -ATOM 511 C TYR A 52 44.446 23.121 14.183 1.00 0.00 A3 C -ATOM 512 O TYR A 52 43.578 23.352 13.352 1.00 0.00 A3 O -ATOM 513 N GLN A 53 45.552 23.845 14.371 1.00 0.00 A3 N -ATOM 514 H GLN A 53 46.152 23.543 15.106 0.00 0.00 A3 H -ATOM 515 CA GLN A 53 45.916 24.991 13.547 1.00 0.00 A3 C -ATOM 516 CB GLN A 53 46.155 26.199 14.453 1.00 0.00 A3 C -ATOM 517 CG GLN A 53 44.914 26.602 15.251 1.00 0.00 A3 C -ATOM 518 CD GLN A 53 45.298 27.583 16.337 1.00 0.00 A3 C -ATOM 519 OE1 GLN A 53 45.961 27.240 17.308 1.00 0.00 A3 O -ATOM 520 NE2 GLN A 53 44.841 28.830 16.128 1.00 0.00 A3 N -ATOM 521 HE21 GLN A 53 44.296 29.053 15.320 0.00 0.00 A3 H -ATOM 522 HE22 GLN A 53 45.043 29.554 16.788 0.00 0.00 A3 H -ATOM 523 C GLN A 53 47.165 24.689 12.737 1.00 0.00 A3 C -ATOM 524 O GLN A 53 48.287 24.806 13.215 1.00 0.00 A3 O -ATOM 525 N ARG A 54 46.903 24.286 11.477 1.00 0.00 A3 N -ATOM 526 H ARG A 54 45.948 24.231 11.186 0.00 0.00 A3 H -ATOM 527 CA ARG A 54 47.963 23.877 10.546 1.00 0.00 A3 C -ATOM 528 CB ARG A 54 47.323 23.469 9.225 1.00 0.00 A3 C -ATOM 529 CG ARG A 54 46.593 22.136 9.342 1.00 0.00 A3 C -ATOM 530 CD ARG A 54 45.632 21.895 8.184 1.00 0.00 A3 C -ATOM 531 NE ARG A 54 44.499 22.808 8.283 1.00 0.00 A3 N -ATOM 532 HE ARG A 54 44.342 23.325 9.124 0.00 0.00 A3 H -ATOM 533 CZ ARG A 54 43.599 22.905 7.286 1.00 0.00 A3 C -ATOM 534 NH1 ARG A 54 43.755 22.250 6.134 1.00 0.00 A3 N -ATOM 535 HH11 ARG A 54 43.062 22.338 5.419 0.00 0.00 A3 H -ATOM 536 HH12 ARG A 54 44.556 21.672 5.976 0.00 0.00 A3 H -ATOM 537 NH2 ARG A 54 42.530 23.672 7.469 1.00 0.00 A3 N -ATOM 538 HH21 ARG A 54 41.846 23.758 6.746 0.00 0.00 A3 H -ATOM 539 HH22 ARG A 54 42.412 24.163 8.333 0.00 0.00 A3 H -ATOM 540 C ARG A 54 49.072 24.883 10.289 1.00 0.00 A3 C -ATOM 541 O ARG A 54 50.234 24.530 10.127 1.00 0.00 A3 O -ATOM 542 N GLN A 55 48.638 26.160 10.280 1.00 0.00 A3 N -ATOM 543 H GLN A 55 47.658 26.323 10.370 0.00 0.00 A3 H -ATOM 544 CA GLN A 55 49.552 27.290 10.110 1.00 0.00 A3 C -ATOM 545 CB GLN A 55 48.770 28.602 9.912 1.00 0.00 A3 C -ATOM 546 CG GLN A 55 48.052 29.197 11.139 1.00 0.00 A3 C -ATOM 547 CD GLN A 55 46.622 28.703 11.296 1.00 0.00 A3 C -ATOM 548 OE1 GLN A 55 46.302 27.525 11.211 1.00 0.00 A3 O -ATOM 549 NE2 GLN A 55 45.757 29.702 11.544 1.00 0.00 A3 N -ATOM 550 HE21 GLN A 55 46.074 30.648 11.615 0.00 0.00 A3 H -ATOM 551 HE22 GLN A 55 44.783 29.511 11.662 0.00 0.00 A3 H -ATOM 552 C GLN A 55 50.626 27.457 11.179 1.00 0.00 A3 C -ATOM 553 O GLN A 55 51.692 28.007 10.930 1.00 0.00 A3 O -ATOM 554 N LEU A 56 50.291 26.946 12.383 1.00 0.00 A3 N -ATOM 555 H LEU A 56 49.416 26.479 12.503 0.00 0.00 A3 H -ATOM 556 CA LEU A 56 51.239 27.031 13.494 1.00 0.00 A3 C -ATOM 557 CB LEU A 56 50.496 27.253 14.813 1.00 0.00 A3 C -ATOM 558 CG LEU A 56 49.568 28.472 14.823 1.00 0.00 A3 C -ATOM 559 CD1 LEU A 56 48.860 28.611 16.170 1.00 0.00 A3 C -ATOM 560 CD2 LEU A 56 50.285 29.768 14.434 1.00 0.00 A3 C -ATOM 561 C LEU A 56 52.184 25.847 13.628 1.00 0.00 A3 C -ATOM 562 O LEU A 56 52.970 25.763 14.564 1.00 0.00 A3 O -ATOM 563 N SER A 57 52.069 24.934 12.643 1.00 0.00 A3 N -ATOM 564 H SER A 57 51.408 25.054 11.904 0.00 0.00 A3 H -ATOM 565 CA SER A 57 52.955 23.777 12.646 1.00 0.00 A3 C -ATOM 566 CB SER A 57 52.129 22.492 12.644 1.00 0.00 A3 C -ATOM 567 OG SER A 57 53.004 21.363 12.584 1.00 0.00 A3 O -ATOM 568 HG SER A 57 52.458 20.594 12.668 0.00 0.00 A3 H -ATOM 569 C SER A 57 53.933 23.790 11.489 1.00 0.00 A3 C -ATOM 570 O SER A 57 53.562 23.762 10.322 1.00 0.00 A3 O -ATOM 571 N SER A 58 55.216 23.806 11.899 1.00 0.00 A3 N -ATOM 572 H SER A 58 55.408 23.850 12.878 0.00 0.00 A3 H -ATOM 573 CA SER A 58 56.322 23.729 10.945 1.00 0.00 A3 C -ATOM 574 CB SER A 58 57.630 24.140 11.633 1.00 0.00 A3 C -ATOM 575 OG SER A 58 57.951 23.217 12.680 1.00 0.00 A3 O -ATOM 576 HG SER A 58 58.796 23.478 13.024 0.00 0.00 A3 H -ATOM 577 C SER A 58 56.490 22.391 10.237 1.00 0.00 A3 C -ATOM 578 O SER A 58 57.140 22.297 9.203 1.00 0.00 A3 O -ATOM 579 N THR A 59 55.868 21.362 10.847 1.00 0.00 A3 N -ATOM 580 H THR A 59 55.327 21.503 11.676 0.00 0.00 A3 H -ATOM 581 CA THR A 59 55.951 20.029 10.255 1.00 0.00 A3 C -ATOM 582 CB THR A 59 56.359 19.016 11.325 1.00 0.00 A3 C -ATOM 583 OG1 THR A 59 55.582 19.203 12.513 1.00 0.00 A3 O -ATOM 584 HG1 THR A 59 55.855 18.538 13.131 0.00 0.00 A3 H -ATOM 585 CG2 THR A 59 57.852 19.118 11.641 1.00 0.00 A3 C -ATOM 586 C THR A 59 54.717 19.566 9.493 1.00 0.00 A3 C -ATOM 587 O THR A 59 54.683 18.462 8.964 1.00 0.00 A3 O -ATOM 588 N TYR A 60 53.713 20.469 9.431 1.00 0.00 A3 N -ATOM 589 H TYR A 60 53.773 21.330 9.935 0.00 0.00 A3 H -ATOM 590 CA TYR A 60 52.554 20.197 8.576 1.00 0.00 A3 C -ATOM 591 CB TYR A 60 51.449 21.229 8.877 1.00 0.00 A3 C -ATOM 592 CG TYR A 60 50.323 21.165 7.867 1.00 0.00 A3 C -ATOM 593 CD1 TYR A 60 49.433 20.070 7.876 1.00 0.00 A3 C -ATOM 594 CE1 TYR A 60 48.435 19.999 6.889 1.00 0.00 A3 C -ATOM 595 CD2 TYR A 60 50.221 22.203 6.919 1.00 0.00 A3 C -ATOM 596 CE2 TYR A 60 49.220 22.135 5.938 1.00 0.00 A3 C -ATOM 597 CZ TYR A 60 48.341 21.034 5.936 1.00 0.00 A3 C -ATOM 598 OH TYR A 60 47.354 20.969 4.974 1.00 0.00 A3 O -ATOM 599 HH TYR A 60 47.469 21.673 4.349 0.00 0.00 A3 H -ATOM 600 C TYR A 60 52.893 20.134 7.090 1.00 0.00 A3 C -ATOM 601 O TYR A 60 53.658 20.931 6.562 1.00 0.00 A3 O -ATOM 602 N ARG A 61 52.259 19.126 6.455 1.00 0.00 A3 N -ATOM 603 H ARG A 61 51.673 18.514 6.985 0.00 0.00 A3 H -ATOM 604 CA ARG A 61 52.397 18.943 5.011 1.00 0.00 A3 C -ATOM 605 CB ARG A 61 53.303 17.756 4.683 1.00 0.00 A3 C -ATOM 606 CG ARG A 61 54.721 17.857 5.239 1.00 0.00 A3 C -ATOM 607 CD ARG A 61 55.561 16.644 4.853 1.00 0.00 A3 C -ATOM 608 NE ARG A 61 56.899 16.735 5.430 1.00 0.00 A3 N -ATOM 609 HE ARG A 61 57.245 17.606 5.779 0.00 0.00 A3 H -ATOM 610 CZ ARG A 61 57.704 15.653 5.453 1.00 0.00 A3 C -ATOM 611 NH1 ARG A 61 57.296 14.471 4.990 1.00 0.00 A3 N -ATOM 612 HH11 ARG A 61 57.919 13.689 5.018 0.00 0.00 A3 H -ATOM 613 HH12 ARG A 61 56.376 14.355 4.616 0.00 0.00 A3 H -ATOM 614 NH2 ARG A 61 58.931 15.770 5.950 1.00 0.00 A3 N -ATOM 615 HH21 ARG A 61 59.536 14.974 5.971 0.00 0.00 A3 H -ATOM 616 HH22 ARG A 61 59.251 16.650 6.301 0.00 0.00 A3 H -ATOM 617 C ARG A 61 51.059 18.703 4.345 1.00 0.00 A3 C -ATOM 618 O ARG A 61 50.412 17.692 4.572 1.00 0.00 A3 O -ATOM 619 N ASP A 62 50.685 19.665 3.483 1.00 0.00 A3 N -ATOM 620 H ASP A 62 51.255 20.478 3.366 0.00 0.00 A3 H -ATOM 621 CA ASP A 62 49.451 19.490 2.714 1.00 0.00 A3 C -ATOM 622 CB ASP A 62 49.086 20.832 2.057 1.00 0.00 A3 C -ATOM 623 CG ASP A 62 47.650 20.880 1.553 1.00 0.00 A3 C -ATOM 624 OD1 ASP A 62 46.802 20.164 2.083 1.00 0.00 A3 O -ATOM 625 OD2 ASP A 62 47.386 21.649 0.631 1.00 0.00 A3 O -ATOM 626 C ASP A 62 49.524 18.364 1.688 1.00 0.00 A3 C -ATOM 627 O ASP A 62 50.435 18.306 0.872 1.00 0.00 A3 O -ATOM 628 N LEU A 63 48.512 17.473 1.776 1.00 0.00 A3 N -ATOM 629 H LEU A 63 47.798 17.586 2.467 0.00 0.00 A3 H -ATOM 630 CA LEU A 63 48.431 16.403 0.777 1.00 0.00 A3 C -ATOM 631 CB LEU A 63 47.851 15.116 1.370 1.00 0.00 A3 C -ATOM 632 CG LEU A 63 48.819 14.316 2.246 1.00 0.00 A3 C -ATOM 633 CD1 LEU A 63 48.144 13.078 2.840 1.00 0.00 A3 C -ATOM 634 CD2 LEU A 63 50.100 13.944 1.496 1.00 0.00 A3 C -ATOM 635 C LEU A 63 47.674 16.741 -0.498 1.00 0.00 A3 C -ATOM 636 O LEU A 63 47.618 15.936 -1.420 1.00 0.00 A3 O -ATOM 637 N ARG A 64 47.099 17.968 -0.506 1.00 0.00 A3 N -ATOM 638 H ARG A 64 47.216 18.566 0.287 0.00 0.00 A3 H -ATOM 639 CA ARG A 64 46.352 18.491 -1.659 1.00 0.00 A3 C -ATOM 640 CB ARG A 64 47.284 18.912 -2.806 1.00 0.00 A3 C -ATOM 641 CG ARG A 64 48.623 19.461 -2.312 1.00 0.00 A3 C -ATOM 642 CD ARG A 64 49.430 20.210 -3.376 1.00 0.00 A3 C -ATOM 643 NE ARG A 64 48.765 21.451 -3.782 1.00 0.00 A3 N -ATOM 644 HE ARG A 64 48.310 21.513 -4.671 0.00 0.00 A3 H -ATOM 645 CZ ARG A 64 48.728 22.533 -2.970 1.00 0.00 A3 C -ATOM 646 NH1 ARG A 64 49.288 22.529 -1.759 1.00 0.00 A3 N -ATOM 647 HH11 ARG A 64 49.235 23.345 -1.185 0.00 0.00 A3 H -ATOM 648 HH12 ARG A 64 49.756 21.713 -1.418 0.00 0.00 A3 H -ATOM 649 NH2 ARG A 64 48.112 23.633 -3.390 1.00 0.00 A3 N -ATOM 650 HH21 ARG A 64 48.070 24.433 -2.792 0.00 0.00 A3 H -ATOM 651 HH22 ARG A 64 47.693 23.663 -4.298 0.00 0.00 A3 H -ATOM 652 C ARG A 64 45.216 17.615 -2.163 1.00 0.00 A3 C -ATOM 653 O ARG A 64 45.014 17.421 -3.357 1.00 0.00 A3 O -ATOM 654 N LYS A 65 44.495 17.080 -1.161 1.00 0.00 A3 N -ATOM 655 H LYS A 65 44.744 17.287 -0.215 0.00 0.00 A3 H -ATOM 656 CA LYS A 65 43.430 16.123 -1.437 1.00 0.00 A3 C -ATOM 657 CB LYS A 65 44.038 14.718 -1.484 1.00 0.00 A3 C -ATOM 658 CG LYS A 65 43.121 13.659 -2.091 1.00 0.00 A3 C -ATOM 659 CD LYS A 65 43.812 12.302 -2.201 1.00 0.00 A3 C -ATOM 660 CE LYS A 65 42.922 11.271 -2.892 1.00 0.00 A3 C -ATOM 661 NZ LYS A 65 43.642 9.996 -3.004 1.00 0.00 A3 N -ATOM 662 HZ1 LYS A 65 42.999 9.275 -3.388 0.00 0.00 A3 H -ATOM 663 HZ2 LYS A 65 44.455 10.112 -3.642 0.00 0.00 A3 H -ATOM 664 HZ3 LYS A 65 43.978 9.700 -2.065 0.00 0.00 A3 H -ATOM 665 C LYS A 65 42.351 16.218 -0.378 1.00 0.00 A3 C -ATOM 666 O LYS A 65 42.645 16.365 0.798 1.00 0.00 A3 O -ATOM 667 N GLY A 66 41.089 16.134 -0.841 1.00 0.00 A3 N -ATOM 668 H GLY A 66 40.912 16.003 -1.816 0.00 0.00 A3 H -ATOM 669 CA GLY A 66 39.998 16.163 0.132 1.00 0.00 A3 C -ATOM 670 C GLY A 66 39.627 14.795 0.675 1.00 0.00 A3 C -ATOM 671 O GLY A 66 40.107 13.763 0.222 1.00 0.00 A3 O -ATOM 672 N VAL A 67 38.733 14.856 1.682 1.00 0.00 A3 N -ATOM 673 H VAL A 67 38.442 15.749 2.028 0.00 0.00 A3 H -ATOM 674 CA VAL A 67 38.264 13.631 2.331 1.00 0.00 A3 C -ATOM 675 CB VAL A 67 39.322 13.158 3.353 1.00 0.00 A3 C -ATOM 676 CG1 VAL A 67 39.573 14.218 4.428 1.00 0.00 A3 C -ATOM 677 CG2 VAL A 67 39.037 11.769 3.934 1.00 0.00 A3 C -ATOM 678 C VAL A 67 36.901 13.847 2.974 1.00 0.00 A3 C -ATOM 679 O VAL A 67 36.579 14.942 3.412 1.00 0.00 A3 O -ATOM 680 N TYR A 68 36.121 12.751 3.017 1.00 0.00 A3 N -ATOM 681 H TYR A 68 36.402 11.922 2.535 0.00 0.00 A3 H -ATOM 682 CA TYR A 68 34.894 12.777 3.813 1.00 0.00 A3 C -ATOM 683 CB TYR A 68 33.711 13.366 3.017 1.00 0.00 A3 C -ATOM 684 CG TYR A 68 33.256 12.442 1.910 1.00 0.00 A3 C -ATOM 685 CD1 TYR A 68 32.185 11.562 2.167 1.00 0.00 A3 C -ATOM 686 CE1 TYR A 68 31.784 10.666 1.165 1.00 0.00 A3 C -ATOM 687 CD2 TYR A 68 33.914 12.475 0.665 1.00 0.00 A3 C -ATOM 688 CE2 TYR A 68 33.511 11.582 -0.339 1.00 0.00 A3 C -ATOM 689 CZ TYR A 68 32.458 10.683 -0.072 1.00 0.00 A3 C -ATOM 690 OH TYR A 68 32.074 9.789 -1.049 1.00 0.00 A3 O -ATOM 691 HH TYR A 68 32.583 9.937 -1.834 0.00 0.00 A3 H -ATOM 692 C TYR A 68 34.567 11.406 4.377 1.00 0.00 A3 C -ATOM 693 O TYR A 68 34.849 10.388 3.756 1.00 0.00 A3 O -ATOM 694 N VAL A 69 33.964 11.426 5.584 1.00 0.00 A3 N -ATOM 695 H VAL A 69 33.775 12.292 6.044 0.00 0.00 A3 H -ATOM 696 CA VAL A 69 33.587 10.149 6.195 1.00 0.00 A3 C -ATOM 697 CB VAL A 69 34.565 9.712 7.305 1.00 0.00 A3 C -ATOM 698 CG1 VAL A 69 34.191 8.334 7.862 1.00 0.00 A3 C -ATOM 699 CG2 VAL A 69 36.016 9.684 6.829 1.00 0.00 A3 C -ATOM 700 C VAL A 69 32.167 10.145 6.736 1.00 0.00 A3 C -ATOM 701 O VAL A 69 31.863 10.750 7.757 1.00 0.00 A3 O -ATOM 702 N PRO A 70 31.305 9.392 6.007 1.00 0.00 A3 N -ATOM 703 CD PRO A 70 31.555 8.818 4.686 1.00 0.00 A3 C -ATOM 704 CA PRO A 70 29.959 9.108 6.507 1.00 0.00 A3 C -ATOM 705 CB PRO A 70 29.202 8.900 5.193 1.00 0.00 A3 C -ATOM 706 CG PRO A 70 30.212 8.236 4.251 1.00 0.00 A3 C -ATOM 707 C PRO A 70 29.932 7.899 7.439 1.00 0.00 A3 C -ATOM 708 O PRO A 70 30.132 6.755 7.048 1.00 0.00 A3 O -ATOM 709 N TYR A 71 29.644 8.225 8.710 1.00 0.00 A3 N -ATOM 710 H TYR A 71 29.522 9.186 8.954 0.00 0.00 A3 H -ATOM 711 CA TYR A 71 29.386 7.164 9.685 1.00 0.00 A3 C -ATOM 712 CB TYR A 71 29.747 7.649 11.099 1.00 0.00 A3 C -ATOM 713 CG TYR A 71 31.189 8.102 11.185 1.00 0.00 A3 C -ATOM 714 CD1 TYR A 71 32.193 7.146 11.443 1.00 0.00 A3 C -ATOM 715 CE1 TYR A 71 33.530 7.567 11.539 1.00 0.00 A3 C -ATOM 716 CD2 TYR A 71 31.492 9.469 11.016 1.00 0.00 A3 C -ATOM 717 CE2 TYR A 71 32.830 9.889 11.102 1.00 0.00 A3 C -ATOM 718 CZ TYR A 71 33.831 8.932 11.364 1.00 0.00 A3 C -ATOM 719 OH TYR A 71 35.148 9.337 11.445 1.00 0.00 A3 O -ATOM 720 HH TYR A 71 35.217 10.249 11.201 0.00 0.00 A3 H -ATOM 721 C TYR A 71 27.933 6.716 9.618 1.00 0.00 A3 C -ATOM 722 O TYR A 71 27.156 7.230 8.821 1.00 0.00 A3 O -ATOM 723 N THR A 72 27.585 5.756 10.508 1.00 0.00 A3 N -ATOM 724 H THR A 72 28.273 5.339 11.101 0.00 0.00 A3 H -ATOM 725 CA THR A 72 26.168 5.391 10.650 1.00 0.00 A3 C -ATOM 726 CB THR A 72 26.019 4.224 11.643 1.00 0.00 A3 C -ATOM 727 OG1 THR A 72 26.800 3.110 11.201 1.00 0.00 A3 O -ATOM 728 HG1 THR A 72 26.630 2.401 11.808 0.00 0.00 A3 H -ATOM 729 CG2 THR A 72 24.566 3.784 11.860 1.00 0.00 A3 C -ATOM 730 C THR A 72 25.300 6.579 11.055 1.00 0.00 A3 C -ATOM 731 O THR A 72 24.213 6.799 10.534 1.00 0.00 A3 O -ATOM 732 N GLN A 73 25.889 7.358 11.986 1.00 0.00 A3 N -ATOM 733 H GLN A 73 26.751 7.058 12.394 0.00 0.00 A3 H -ATOM 734 CA GLN A 73 25.323 8.648 12.374 1.00 0.00 A3 C -ATOM 735 CB GLN A 73 24.603 8.531 13.719 1.00 0.00 A3 C -ATOM 736 CG GLN A 73 23.365 7.631 13.668 1.00 0.00 A3 C -ATOM 737 CD GLN A 73 22.852 7.374 15.068 1.00 0.00 A3 C -ATOM 738 OE1 GLN A 73 22.817 8.249 15.924 1.00 0.00 A3 O -ATOM 739 NE2 GLN A 73 22.460 6.101 15.255 1.00 0.00 A3 N -ATOM 740 HE21 GLN A 73 22.508 5.438 14.508 0.00 0.00 A3 H -ATOM 741 HE22 GLN A 73 22.116 5.803 16.145 0.00 0.00 A3 H -ATOM 742 C GLN A 73 26.425 9.685 12.467 1.00 0.00 A3 C -ATOM 743 O GLN A 73 27.408 9.507 13.177 1.00 0.00 A3 O -ATOM 744 N GLY A 74 26.218 10.777 11.706 1.00 0.00 A3 N -ATOM 745 H GLY A 74 25.408 10.844 11.123 0.00 0.00 A3 H -ATOM 746 CA GLY A 74 27.252 11.811 11.692 1.00 0.00 A3 C -ATOM 747 C GLY A 74 28.246 11.650 10.560 1.00 0.00 A3 C -ATOM 748 O GLY A 74 28.449 10.562 10.038 1.00 0.00 A3 O -ATOM 749 N LYS A 75 28.845 12.805 10.205 1.00 0.00 A3 N -ATOM 750 H LYS A 75 28.596 13.649 10.679 0.00 0.00 A3 H -ATOM 751 CA LYS A 75 29.809 12.842 9.104 1.00 0.00 A3 C -ATOM 752 CB LYS A 75 29.103 12.681 7.748 1.00 0.00 A3 C -ATOM 753 CG LYS A 75 27.954 13.666 7.524 1.00 0.00 A3 C -ATOM 754 CD LYS A 75 27.150 13.343 6.267 1.00 0.00 A3 C -ATOM 755 CE LYS A 75 25.921 14.243 6.141 1.00 0.00 A3 C -ATOM 756 NZ LYS A 75 25.125 13.837 4.975 1.00 0.00 A3 N -ATOM 757 HZ1 LYS A 75 24.247 14.394 4.952 0.00 0.00 A3 H -ATOM 758 HZ2 LYS A 75 25.668 14.006 4.104 0.00 0.00 A3 H -ATOM 759 HZ3 LYS A 75 24.892 12.826 5.048 0.00 0.00 A3 H -ATOM 760 C LYS A 75 30.637 14.109 9.118 1.00 0.00 A3 C -ATOM 761 O LYS A 75 30.267 15.103 9.728 1.00 0.00 A3 O -ATOM 762 N TRP A 76 31.770 14.028 8.398 1.00 0.00 A3 N -ATOM 763 H TRP A 76 32.068 13.151 8.019 0.00 0.00 A3 H -ATOM 764 CA TRP A 76 32.569 15.239 8.216 1.00 0.00 A3 C -ATOM 765 CB TRP A 76 33.525 15.469 9.400 1.00 0.00 A3 C -ATOM 766 CG TRP A 76 34.395 14.267 9.677 1.00 0.00 A3 C -ATOM 767 CD2 TRP A 76 35.573 13.821 8.971 1.00 0.00 A3 C -ATOM 768 CE2 TRP A 76 36.033 12.631 9.627 1.00 0.00 A3 C -ATOM 769 CE3 TRP A 76 36.272 14.322 7.852 1.00 0.00 A3 C -ATOM 770 CD1 TRP A 76 34.213 13.337 10.709 1.00 0.00 A3 C -ATOM 771 NE1 TRP A 76 35.171 12.376 10.687 1.00 0.00 A3 N -ATOM 772 HE1 TRP A 76 35.243 11.634 11.323 0.00 0.00 A3 H -ATOM 773 CZ2 TRP A 76 37.176 11.963 9.142 1.00 0.00 A3 C -ATOM 774 CZ3 TRP A 76 37.414 13.647 7.379 1.00 0.00 A3 C -ATOM 775 CH2 TRP A 76 37.862 12.472 8.019 1.00 0.00 A3 C -ATOM 776 C TRP A 76 33.307 15.264 6.895 1.00 0.00 A3 C -ATOM 777 O TRP A 76 33.388 14.272 6.188 1.00 0.00 A3 O -ATOM 778 N GLU A 77 33.858 16.457 6.614 1.00 0.00 A3 N -ATOM 779 H GLU A 77 33.691 17.233 7.215 0.00 0.00 A3 H -ATOM 780 CA GLU A 77 34.737 16.618 5.462 1.00 0.00 A3 C -ATOM 781 CB GLU A 77 33.973 17.178 4.256 1.00 0.00 A3 C -ATOM 782 CG GLU A 77 33.322 18.544 4.505 1.00 0.00 A3 C -ATOM 783 CD GLU A 77 32.581 19.026 3.271 1.00 0.00 A3 C -ATOM 784 OE1 GLU A 77 32.699 20.206 2.945 1.00 0.00 A3 O -ATOM 785 OE2 GLU A 77 31.883 18.229 2.644 1.00 0.00 A3 O -ATOM 786 C GLU A 77 35.908 17.504 5.820 1.00 0.00 A3 C -ATOM 787 O GLU A 77 35.842 18.293 6.753 1.00 0.00 A3 O -ATOM 788 N GLY A 78 36.979 17.331 5.030 1.00 0.00 A3 N -ATOM 789 H GLY A 78 36.978 16.640 4.311 0.00 0.00 A3 H -ATOM 790 CA GLY A 78 38.144 18.170 5.256 1.00 0.00 A3 C -ATOM 791 C GLY A 78 39.257 17.945 4.259 1.00 0.00 A3 C -ATOM 792 O GLY A 78 39.049 17.547 3.120 1.00 0.00 A3 O -ATOM 793 N GLU A 79 40.462 18.242 4.771 1.00 0.00 A3 N -ATOM 794 H GLU A 79 40.532 18.549 5.719 0.00 0.00 A3 H -ATOM 795 CA GLU A 79 41.648 18.225 3.925 1.00 0.00 A3 C -ATOM 796 CB GLU A 79 42.114 19.676 3.750 1.00 0.00 A3 C -ATOM 797 CG GLU A 79 43.401 19.926 2.951 1.00 0.00 A3 C -ATOM 798 CD GLU A 79 43.290 19.495 1.498 1.00 0.00 A3 C -ATOM 799 OE1 GLU A 79 42.210 19.585 0.912 1.00 0.00 A3 O -ATOM 800 OE2 GLU A 79 44.307 19.081 0.952 1.00 0.00 A3 O -ATOM 801 C GLU A 79 42.735 17.343 4.505 1.00 0.00 A3 C -ATOM 802 O GLU A 79 43.128 17.470 5.655 1.00 0.00 A3 O -ATOM 803 N LEU A 80 43.211 16.441 3.633 1.00 0.00 A3 N -ATOM 804 H LEU A 80 42.843 16.417 2.708 0.00 0.00 A3 H -ATOM 805 CA LEU A 80 44.302 15.557 4.029 1.00 0.00 A3 C -ATOM 806 CB LEU A 80 44.396 14.376 3.066 1.00 0.00 A3 C -ATOM 807 CG LEU A 80 43.212 13.419 3.185 1.00 0.00 A3 C -ATOM 808 CD1 LEU A 80 43.184 12.412 2.037 1.00 0.00 A3 C -ATOM 809 CD2 LEU A 80 43.178 12.739 4.555 1.00 0.00 A3 C -ATOM 810 C LEU A 80 45.641 16.255 4.148 1.00 0.00 A3 C -ATOM 811 O LEU A 80 45.925 17.255 3.501 1.00 0.00 A3 O -ATOM 812 N GLY A 81 46.437 15.651 5.045 1.00 0.00 A3 N -ATOM 813 H GLY A 81 46.095 14.841 5.521 0.00 0.00 A3 H -ATOM 814 CA GLY A 81 47.750 16.198 5.367 1.00 0.00 A3 C -ATOM 815 C GLY A 81 48.554 15.206 6.180 1.00 0.00 A3 C -ATOM 816 O GLY A 81 48.083 14.123 6.496 1.00 0.00 A3 O -ATOM 817 N THR A 82 49.787 15.630 6.513 1.00 0.00 A3 N -ATOM 818 H THR A 82 50.146 16.483 6.141 0.00 0.00 A3 H -ATOM 819 CA THR A 82 50.579 14.852 7.465 1.00 0.00 A3 C -ATOM 820 CB THR A 82 51.669 14.007 6.784 1.00 0.00 A3 C -ATOM 821 OG1 THR A 82 52.604 14.840 6.097 1.00 0.00 A3 O -ATOM 822 HG1 THR A 82 53.314 14.275 5.819 0.00 0.00 A3 H -ATOM 823 CG2 THR A 82 51.112 12.940 5.842 1.00 0.00 A3 C -ATOM 824 C THR A 82 51.211 15.745 8.512 1.00 0.00 A3 C -ATOM 825 O THR A 82 51.438 16.929 8.293 1.00 0.00 A3 O -ATOM 826 N ASP A 83 51.491 15.102 9.660 1.00 0.00 A3 N -ATOM 827 H ASP A 83 51.242 14.139 9.762 0.00 0.00 A3 H -ATOM 828 CA ASP A 83 52.175 15.809 10.741 1.00 0.00 A3 C -ATOM 829 CB ASP A 83 51.238 16.805 11.445 1.00 0.00 A3 C -ATOM 830 CG ASP A 83 51.919 18.141 11.696 1.00 0.00 A3 C -ATOM 831 OD1 ASP A 83 53.136 18.192 11.835 1.00 0.00 A3 O -ATOM 832 OD2 ASP A 83 51.221 19.146 11.751 1.00 0.00 A3 O -ATOM 833 C ASP A 83 52.755 14.845 11.749 1.00 0.00 A3 C -ATOM 834 O ASP A 83 52.462 13.656 11.745 1.00 0.00 A3 O -ATOM 835 N LEU A 84 53.587 15.427 12.632 1.00 0.00 A3 N -ATOM 836 H LEU A 84 53.780 16.405 12.614 0.00 0.00 A3 H -ATOM 837 CA LEU A 84 54.099 14.630 13.730 1.00 0.00 A3 C -ATOM 838 CB LEU A 84 55.364 15.242 14.311 1.00 0.00 A3 C -ATOM 839 CG LEU A 84 56.483 15.376 13.280 1.00 0.00 A3 C -ATOM 840 CD1 LEU A 84 57.715 16.012 13.916 1.00 0.00 A3 C -ATOM 841 CD2 LEU A 84 56.814 14.056 12.576 1.00 0.00 A3 C -ATOM 842 C LEU A 84 53.063 14.469 14.800 1.00 0.00 A3 C -ATOM 843 O LEU A 84 52.439 15.401 15.285 1.00 0.00 A3 O -ATOM 844 N VAL A 85 52.896 13.193 15.108 1.00 0.00 A3 N -ATOM 845 H VAL A 85 53.579 12.510 14.867 0.00 0.00 A3 H -ATOM 846 CA VAL A 85 51.899 12.883 16.085 1.00 0.00 A3 C -ATOM 847 CB VAL A 85 50.751 12.082 15.513 1.00 0.00 A3 C -ATOM 848 CG1 VAL A 85 49.743 11.909 16.610 1.00 0.00 A3 C -ATOM 849 CG2 VAL A 85 50.108 12.727 14.292 1.00 0.00 A3 C -ATOM 850 C VAL A 85 52.622 12.105 17.114 1.00 0.00 A3 C -ATOM 851 O VAL A 85 53.273 11.098 16.889 1.00 0.00 A3 O -ATOM 852 N SER A 86 52.480 12.700 18.267 1.00 0.00 A3 N -ATOM 853 H SER A 86 51.793 13.418 18.323 0.00 0.00 A3 H -ATOM 854 CA SER A 86 52.989 12.057 19.434 1.00 0.00 A3 C -ATOM 855 CB SER A 86 53.982 12.883 20.222 1.00 0.00 A3 C -ATOM 856 OG SER A 86 55.189 12.878 19.491 1.00 0.00 A3 O -ATOM 857 HG SER A 86 55.863 13.206 20.065 0.00 0.00 A3 H -ATOM 858 C SER A 86 51.787 12.062 20.248 1.00 0.00 A3 C -ATOM 859 O SER A 86 50.872 12.866 20.152 1.00 0.00 A3 O -ATOM 860 N ILE A 87 51.876 11.119 21.124 1.00 0.00 A3 N -ATOM 861 H ILE A 87 52.414 10.289 20.953 0.00 0.00 A3 H -ATOM 862 CA ILE A 87 51.007 11.391 22.219 1.00 0.00 A3 C -ATOM 863 CB ILE A 87 50.054 10.134 22.059 1.00 0.00 A3 C -ATOM 864 CG2 ILE A 87 49.025 10.442 20.941 1.00 0.00 A3 C -ATOM 865 CG1 ILE A 87 50.648 8.842 21.430 1.00 0.00 A3 C -ATOM 866 CD1 ILE A 87 49.651 7.708 21.075 1.00 0.00 A3 C -ATOM 867 C ILE A 87 51.984 11.806 23.391 1.00 0.00 A3 C -ATOM 868 O ILE A 87 52.992 11.139 23.567 1.00 0.00 A3 O -ATOM 869 N PRO A 88 51.785 12.999 24.117 1.00 0.00 A3 N -ATOM 870 CD PRO A 88 50.931 14.146 23.753 1.00 0.00 A3 C -ATOM 871 CA PRO A 88 52.539 13.307 25.392 1.00 0.00 A3 C -ATOM 872 CB PRO A 88 52.217 14.789 25.735 1.00 0.00 A3 C -ATOM 873 CG PRO A 88 50.975 15.171 24.905 1.00 0.00 A3 C -ATOM 874 C PRO A 88 52.306 12.462 26.678 1.00 0.00 A3 C -ATOM 875 O PRO A 88 53.240 11.926 27.256 1.00 0.00 A3 O -ATOM 876 N HIS A 89 51.041 12.355 27.128 1.00 0.00 A3 N -ATOM 877 H HIS A 89 50.731 12.994 27.836 0.00 0.00 A3 H -ATOM 878 CA HIS A 89 50.604 10.968 27.107 1.00 0.00 A3 C -ATOM 879 CB HIS A 89 49.293 10.709 27.821 1.00 0.00 A3 C -ATOM 880 CG HIS A 89 49.192 11.165 29.255 1.00 0.00 A3 C -ATOM 881 ND1 HIS A 89 49.908 10.701 30.288 1.00 0.00 A3 N -ATOM 882 HD1 HIS A 89 50.578 9.994 30.236 0.00 0.00 A3 H -ATOM 883 CD2 HIS A 89 48.323 12.149 29.729 1.00 0.00 A3 C -ATOM 884 NE2 HIS A 89 48.518 12.291 31.059 1.00 0.00 A3 N -ATOM 885 CE1 HIS A 89 49.499 11.397 31.400 1.00 0.00 A3 C -ATOM 886 C HIS A 89 50.501 10.335 25.752 1.00 0.00 A3 C -ATOM 887 O HIS A 89 49.519 10.497 25.055 1.00 0.00 A3 O -ATOM 888 N GLY A 90 51.590 9.624 25.430 1.00 0.00 A3 N -ATOM 889 H GLY A 90 52.403 10.157 25.587 0.00 0.00 A3 H -ATOM 890 CA GLY A 90 51.664 8.491 24.514 1.00 0.00 A3 C -ATOM 891 C GLY A 90 52.796 7.529 24.730 1.00 0.00 A3 C -ATOM 892 O GLY A 90 53.519 7.732 25.690 1.00 0.00 A3 O -ATOM 893 N PRO A 91 53.008 6.505 23.834 1.00 0.00 A3 N -ATOM 894 CD PRO A 91 52.284 6.066 22.648 1.00 0.00 A3 C -ATOM 895 CA PRO A 91 54.225 5.715 24.023 1.00 0.00 A3 C -ATOM 896 CB PRO A 91 54.028 4.508 23.091 1.00 0.00 A3 C -ATOM 897 CG PRO A 91 52.591 4.577 22.575 1.00 0.00 A3 C -ATOM 898 C PRO A 91 55.389 6.617 23.656 1.00 0.00 A3 C -ATOM 899 O PRO A 91 55.162 7.718 23.166 1.00 0.00 A3 O -ATOM 900 N ASN A 92 56.619 6.172 23.964 1.00 0.00 A3 N -ATOM 901 H ASN A 92 56.774 5.228 24.260 0.00 0.00 A3 H -ATOM 902 CA ASN A 92 57.664 7.198 23.897 1.00 0.00 A3 C -ATOM 903 CB ASN A 92 58.658 6.982 25.040 1.00 0.00 A3 C -ATOM 904 CG ASN A 92 59.521 8.214 25.201 1.00 0.00 A3 C -ATOM 905 OD1 ASN A 92 59.050 9.317 25.451 1.00 0.00 A3 O -ATOM 906 ND2 ASN A 92 60.821 7.957 24.986 1.00 0.00 A3 N -ATOM 907 HD21 ASN A 92 61.100 7.017 24.795 0.00 0.00 A3 H -ATOM 908 HD22 ASN A 92 61.512 8.679 24.992 0.00 0.00 A3 H -ATOM 909 C ASN A 92 58.320 7.415 22.534 1.00 0.00 A3 C -ATOM 910 O ASN A 92 59.531 7.332 22.361 1.00 0.00 A3 O -ATOM 911 N VAL A 93 57.416 7.707 21.574 1.00 0.00 A3 N -ATOM 912 H VAL A 93 56.449 7.777 21.793 0.00 0.00 A3 H -ATOM 913 CA VAL A 93 57.732 7.864 20.164 1.00 0.00 A3 C -ATOM 914 CB VAL A 93 57.495 6.541 19.422 1.00 0.00 A3 C -ATOM 915 CG1 VAL A 93 58.508 5.468 19.832 1.00 0.00 A3 C -ATOM 916 CG2 VAL A 93 56.049 6.053 19.590 1.00 0.00 A3 C -ATOM 917 C VAL A 93 56.877 8.956 19.544 1.00 0.00 A3 C -ATOM 918 O VAL A 93 55.833 9.353 20.051 1.00 0.00 A3 O -ATOM 919 N THR A 94 57.399 9.390 18.388 1.00 0.00 A3 N -ATOM 920 H THR A 94 58.289 9.029 18.118 0.00 0.00 A3 H -ATOM 921 CA THR A 94 56.707 10.337 17.522 1.00 0.00 A3 C -ATOM 922 CB THR A 94 57.449 11.679 17.565 1.00 0.00 A3 C -ATOM 923 OG1 THR A 94 57.575 12.119 18.922 1.00 0.00 A3 O -ATOM 924 HG1 THR A 94 57.843 13.028 18.901 0.00 0.00 A3 H -ATOM 925 CG2 THR A 94 56.790 12.762 16.706 1.00 0.00 A3 C -ATOM 926 C THR A 94 56.685 9.770 16.113 1.00 0.00 A3 C -ATOM 927 O THR A 94 57.672 9.219 15.642 1.00 0.00 A3 O -ATOM 928 N VAL A 95 55.509 9.911 15.471 1.00 0.00 A3 N -ATOM 929 H VAL A 95 54.763 10.395 15.919 0.00 0.00 A3 H -ATOM 930 CA VAL A 95 55.345 9.385 14.115 1.00 0.00 A3 C -ATOM 931 CB VAL A 95 54.542 8.069 14.094 1.00 0.00 A3 C -ATOM 932 CG1 VAL A 95 55.302 6.935 14.776 1.00 0.00 A3 C -ATOM 933 CG2 VAL A 95 53.126 8.222 14.657 1.00 0.00 A3 C -ATOM 934 C VAL A 95 54.696 10.380 13.177 1.00 0.00 A3 C -ATOM 935 O VAL A 95 53.826 11.152 13.547 1.00 0.00 A3 O -ATOM 936 N ARG A 96 55.136 10.297 11.914 1.00 0.00 A3 N -ATOM 937 H ARG A 96 55.870 9.665 11.672 0.00 0.00 A3 H -ATOM 938 CA ARG A 96 54.396 11.049 10.907 1.00 0.00 A3 C -ATOM 939 CB ARG A 96 55.337 11.486 9.786 1.00 0.00 A3 C -ATOM 940 CG ARG A 96 54.622 12.295 8.704 1.00 0.00 A3 C -ATOM 941 CD ARG A 96 55.584 12.967 7.725 1.00 0.00 A3 C -ATOM 942 NE ARG A 96 56.381 13.998 8.392 1.00 0.00 A3 N -ATOM 943 HE ARG A 96 57.287 13.783 8.759 0.00 0.00 A3 H -ATOM 944 CZ ARG A 96 55.886 15.242 8.575 1.00 0.00 A3 C -ATOM 945 NH1 ARG A 96 54.675 15.580 8.136 1.00 0.00 A3 N -ATOM 946 HH11 ARG A 96 54.332 16.507 8.283 0.00 0.00 A3 H -ATOM 947 HH12 ARG A 96 54.103 14.913 7.657 0.00 0.00 A3 H -ATOM 948 NH2 ARG A 96 56.624 16.150 9.206 1.00 0.00 A3 N -ATOM 949 HH21 ARG A 96 56.260 17.071 9.342 0.00 0.00 A3 H -ATOM 950 HH22 ARG A 96 57.537 15.919 9.543 0.00 0.00 A3 H -ATOM 951 C ARG A 96 53.194 10.284 10.383 1.00 0.00 A3 C -ATOM 952 O ARG A 96 53.310 9.247 9.745 1.00 0.00 A3 O -ATOM 953 N ALA A 97 52.021 10.859 10.697 1.00 0.00 A3 N -ATOM 954 H ALA A 97 51.987 11.712 11.216 0.00 0.00 A3 H -ATOM 955 CA ALA A 97 50.802 10.174 10.288 1.00 0.00 A3 C -ATOM 956 CB ALA A 97 50.023 9.700 11.515 1.00 0.00 A3 C -ATOM 957 C ALA A 97 49.898 11.042 9.444 1.00 0.00 A3 C -ATOM 958 O ALA A 97 49.989 12.264 9.438 1.00 0.00 A3 O -ATOM 959 N ASN A 98 48.996 10.328 8.742 1.00 0.00 A3 N -ATOM 960 H ASN A 98 49.013 9.329 8.780 0.00 0.00 A3 H -ATOM 961 CA ASN A 98 47.937 11.032 8.022 1.00 0.00 A3 C -ATOM 962 CB ASN A 98 47.256 10.119 7.002 1.00 0.00 A3 C -ATOM 963 CG ASN A 98 48.224 9.684 5.920 1.00 0.00 A3 C -ATOM 964 OD1 ASN A 98 48.923 10.479 5.305 1.00 0.00 A3 O -ATOM 965 ND2 ASN A 98 48.207 8.358 5.708 1.00 0.00 A3 N -ATOM 966 HD21 ASN A 98 47.605 7.776 6.254 0.00 0.00 A3 H -ATOM 967 HD22 ASN A 98 48.779 7.933 5.007 0.00 0.00 A3 H -ATOM 968 C ASN A 98 46.892 11.604 8.959 1.00 0.00 A3 C -ATOM 969 O ASN A 98 46.455 10.973 9.913 1.00 0.00 A3 O -ATOM 970 N ILE A 99 46.541 12.860 8.630 1.00 0.00 A3 N -ATOM 971 H ILE A 99 46.934 13.267 7.810 0.00 0.00 A3 H -ATOM 972 CA ILE A 99 45.576 13.615 9.425 1.00 0.00 A3 C -ATOM 973 CB ILE A 99 46.251 14.639 10.360 1.00 0.00 A3 C -ATOM 974 CG2 ILE A 99 45.215 15.284 11.289 1.00 0.00 A3 C -ATOM 975 CG1 ILE A 99 47.417 14.052 11.159 1.00 0.00 A3 C -ATOM 976 CD1 ILE A 99 48.057 15.066 12.105 1.00 0.00 A3 C -ATOM 977 C ILE A 99 44.618 14.342 8.507 1.00 0.00 A3 C -ATOM 978 O ILE A 99 45.009 15.066 7.599 1.00 0.00 A3 O -ATOM 979 N ALA A 100 43.332 14.117 8.813 1.00 0.00 A3 N -ATOM 980 H ALA A 100 43.101 13.520 9.578 0.00 0.00 A3 H -ATOM 981 CA ALA A 100 42.298 14.859 8.115 1.00 0.00 A3 C -ATOM 982 CB ALA A 100 41.128 13.945 7.777 1.00 0.00 A3 C -ATOM 983 C ALA A 100 41.800 16.021 8.936 1.00 0.00 A3 C -ATOM 984 O ALA A 100 41.192 15.877 9.984 1.00 0.00 A3 O -ATOM 985 N ALA A 101 42.101 17.192 8.372 1.00 0.00 A3 N -ATOM 986 H ALA A 101 42.626 17.185 7.525 0.00 0.00 A3 H -ATOM 987 CA ALA A 101 41.687 18.461 8.944 1.00 0.00 A3 C -ATOM 988 CB ALA A 101 42.607 19.528 8.369 1.00 0.00 A3 C -ATOM 989 C ALA A 101 40.238 18.813 8.641 1.00 0.00 A3 C -ATOM 990 O ALA A 101 39.915 19.294 7.566 1.00 0.00 A3 O -ATOM 991 N ILE A 102 39.382 18.548 9.649 1.00 0.00 A3 N -ATOM 992 H ILE A 102 39.749 18.237 10.518 0.00 0.00 A3 H -ATOM 993 CA ILE A 102 37.940 18.761 9.511 1.00 0.00 A3 C -ATOM 994 CB ILE A 102 37.170 18.072 10.656 1.00 0.00 A3 C -ATOM 995 CG2 ILE A 102 35.660 18.324 10.605 1.00 0.00 A3 C -ATOM 996 CG1 ILE A 102 37.516 16.582 10.757 1.00 0.00 A3 C -ATOM 997 CD1 ILE A 102 36.964 15.928 12.028 1.00 0.00 A3 C -ATOM 998 C ILE A 102 37.575 20.230 9.415 1.00 0.00 A3 C -ATOM 999 O ILE A 102 37.777 21.036 10.315 1.00 0.00 A3 O -ATOM 1000 N THR A 103 37.016 20.514 8.233 1.00 0.00 A3 N -ATOM 1001 H THR A 103 36.896 19.779 7.569 0.00 0.00 A3 H -ATOM 1002 CA THR A 103 36.546 21.863 7.945 1.00 0.00 A3 C -ATOM 1003 CB THR A 103 36.995 22.270 6.540 1.00 0.00 A3 C -ATOM 1004 OG1 THR A 103 36.505 21.341 5.566 1.00 0.00 A3 O -ATOM 1005 HG1 THR A 103 36.835 21.631 4.726 0.00 0.00 A3 H -ATOM 1006 CG2 THR A 103 38.521 22.369 6.460 1.00 0.00 A3 C -ATOM 1007 C THR A 103 35.048 22.039 8.130 1.00 0.00 A3 C -ATOM 1008 O THR A 103 34.586 23.083 8.574 1.00 0.00 A3 O -ATOM 1009 N GLU A 104 34.313 20.958 7.789 1.00 0.00 A3 N -ATOM 1010 H GLU A 104 34.753 20.144 7.409 0.00 0.00 A3 H -ATOM 1011 CA GLU A 104 32.870 20.967 8.032 1.00 0.00 A3 C -ATOM 1012 CB GLU A 104 32.067 21.218 6.752 1.00 0.00 A3 C -ATOM 1013 CG GLU A 104 32.236 22.611 6.135 1.00 0.00 A3 C -ATOM 1014 CD GLU A 104 31.326 22.815 4.931 1.00 0.00 A3 C -ATOM 1015 OE1 GLU A 104 31.551 23.777 4.198 1.00 0.00 A3 O -ATOM 1016 OE2 GLU A 104 30.396 22.033 4.726 1.00 0.00 A3 O -ATOM 1017 C GLU A 104 32.411 19.663 8.639 1.00 0.00 A3 C -ATOM 1018 O GLU A 104 32.989 18.613 8.398 1.00 0.00 A3 O -ATOM 1019 N SER A 105 31.331 19.783 9.431 1.00 0.00 A3 N -ATOM 1020 H SER A 105 30.955 20.686 9.634 0.00 0.00 A3 H -ATOM 1021 CA SER A 105 30.758 18.578 10.027 1.00 0.00 A3 C -ATOM 1022 CB SER A 105 31.472 18.219 11.334 1.00 0.00 A3 C -ATOM 1023 OG SER A 105 31.325 19.287 12.271 1.00 0.00 A3 O -ATOM 1024 HG SER A 105 31.738 18.997 13.072 0.00 0.00 A3 H -ATOM 1025 C SER A 105 29.264 18.687 10.248 1.00 0.00 A3 C -ATOM 1026 O SER A 105 28.683 19.766 10.272 1.00 0.00 A3 O -ATOM 1027 N ASP A 106 28.680 17.488 10.405 1.00 0.00 A3 N -ATOM 1028 H ASP A 106 29.242 16.664 10.373 0.00 0.00 A3 H -ATOM 1029 CA ASP A 106 27.238 17.374 10.574 1.00 0.00 A3 C -ATOM 1030 CB ASP A 106 26.573 17.134 9.208 1.00 0.00 A3 C -ATOM 1031 CG ASP A 106 25.049 17.142 9.265 1.00 0.00 A3 C -ATOM 1032 OD1 ASP A 106 24.435 16.661 8.315 1.00 0.00 A3 O -ATOM 1033 OD2 ASP A 106 24.478 17.625 10.244 1.00 0.00 A3 O -ATOM 1034 C ASP A 106 26.928 16.261 11.549 1.00 0.00 A3 C -ATOM 1035 O ASP A 106 27.122 15.088 11.259 1.00 0.00 A3 O -ATOM 1036 N LYS A 107 26.443 16.710 12.729 1.00 0.00 A3 N -ATOM 1037 H LYS A 107 26.310 17.694 12.846 0.00 0.00 A3 H -ATOM 1038 CA LYS A 107 26.091 15.794 13.821 1.00 0.00 A3 C -ATOM 1039 CB LYS A 107 24.802 15.027 13.503 1.00 0.00 A3 C -ATOM 1040 CG LYS A 107 23.588 15.940 13.313 1.00 0.00 A3 C -ATOM 1041 CD LYS A 107 22.312 15.160 12.981 1.00 0.00 A3 C -ATOM 1042 CE LYS A 107 22.307 14.533 11.582 1.00 0.00 A3 C -ATOM 1043 NZ LYS A 107 22.148 15.584 10.565 1.00 0.00 A3 N -ATOM 1044 HZ1 LYS A 107 22.153 15.153 9.619 0.00 0.00 A3 H -ATOM 1045 HZ2 LYS A 107 21.243 16.074 10.715 0.00 0.00 A3 H -ATOM 1046 HZ3 LYS A 107 22.927 16.268 10.641 0.00 0.00 A3 H -ATOM 1047 C LYS A 107 27.194 14.843 14.260 1.00 0.00 A3 C -ATOM 1048 O LYS A 107 26.958 13.694 14.613 1.00 0.00 A3 O -ATOM 1049 N PHE A 108 28.425 15.390 14.199 1.00 0.00 A3 N -ATOM 1050 H PHE A 108 28.556 16.355 13.972 0.00 0.00 A3 H -ATOM 1051 CA PHE A 108 29.570 14.569 14.564 1.00 0.00 A3 C -ATOM 1052 CB PHE A 108 30.650 14.721 13.476 1.00 0.00 A3 C -ATOM 1053 CG PHE A 108 31.857 13.843 13.725 1.00 0.00 A3 C -ATOM 1054 CD1 PHE A 108 31.735 12.435 13.740 1.00 0.00 A3 C -ATOM 1055 CD2 PHE A 108 33.101 14.469 13.940 1.00 0.00 A3 C -ATOM 1056 CE1 PHE A 108 32.876 11.646 13.992 1.00 0.00 A3 C -ATOM 1057 CE2 PHE A 108 34.242 13.684 14.190 1.00 0.00 A3 C -ATOM 1058 CZ PHE A 108 34.116 12.280 14.217 1.00 0.00 A3 C -ATOM 1059 C PHE A 108 30.034 14.874 15.979 1.00 0.00 A3 C -ATOM 1060 O PHE A 108 30.132 13.987 16.818 1.00 0.00 A3 O -ATOM 1061 N PHE A 109 30.266 16.183 16.204 1.00 0.00 A3 N -ATOM 1062 H PHE A 109 30.257 16.798 15.415 0.00 0.00 A3 H -ATOM 1063 CA PHE A 109 30.617 16.688 17.536 1.00 0.00 A3 C -ATOM 1064 CB PHE A 109 31.457 17.974 17.314 1.00 0.00 A3 C -ATOM 1065 CG PHE A 109 32.646 17.755 16.369 1.00 0.00 A3 C -ATOM 1066 CD1 PHE A 109 32.735 18.508 15.175 1.00 0.00 A3 C -ATOM 1067 CD2 PHE A 109 33.661 16.821 16.691 1.00 0.00 A3 C -ATOM 1068 CE1 PHE A 109 33.848 18.360 14.321 1.00 0.00 A3 C -ATOM 1069 CE2 PHE A 109 34.777 16.674 15.839 1.00 0.00 A3 C -ATOM 1070 CZ PHE A 109 34.873 17.461 14.673 1.00 0.00 A3 C -ATOM 1071 C PHE A 109 29.419 16.826 18.518 1.00 0.00 A3 C -ATOM 1072 O PHE A 109 28.313 17.199 18.142 1.00 0.00 A3 O -ATOM 1073 N ILE A 110 29.692 16.453 19.800 1.00 0.00 A3 N -ATOM 1074 H ILE A 110 30.626 16.211 20.053 0.00 0.00 A3 H -ATOM 1075 CA ILE A 110 28.658 16.341 20.848 1.00 0.00 A3 C -ATOM 1076 CB ILE A 110 28.654 14.908 21.441 1.00 0.00 A3 C -ATOM 1077 CG2 ILE A 110 27.451 14.729 22.377 1.00 0.00 A3 C -ATOM 1078 CG1 ILE A 110 28.729 13.787 20.390 1.00 0.00 A3 C -ATOM 1079 CD1 ILE A 110 28.938 12.391 20.991 1.00 0.00 A3 C -ATOM 1080 C ILE A 110 28.838 17.359 21.995 1.00 0.00 A3 C -ATOM 1081 O ILE A 110 29.715 17.192 22.836 1.00 0.00 A3 O -ATOM 1082 N ASN A 111 27.956 18.402 22.003 1.00 0.00 A3 N -ATOM 1083 H ASN A 111 27.284 18.435 21.262 0.00 0.00 A3 H -ATOM 1084 CA ASN A 111 28.036 19.558 22.927 1.00 0.00 A3 C -ATOM 1085 CB ASN A 111 26.655 20.251 23.027 1.00 0.00 A3 C -ATOM 1086 CG ASN A 111 26.766 21.744 23.336 1.00 0.00 A3 C -ATOM 1087 OD1 ASN A 111 27.817 22.258 23.701 1.00 0.00 A3 O -ATOM 1088 ND2 ASN A 111 25.611 22.424 23.167 1.00 0.00 A3 N -ATOM 1089 HD21 ASN A 111 24.768 21.985 22.855 0.00 0.00 A3 H -ATOM 1090 HD22 ASN A 111 25.570 23.406 23.359 0.00 0.00 A3 H -ATOM 1091 C ASN A 111 28.664 19.321 24.306 1.00 0.00 A3 C -ATOM 1092 O ASN A 111 28.086 18.720 25.200 1.00 0.00 A3 O -ATOM 1093 N GLY A 112 29.909 19.830 24.385 1.00 0.00 A3 N -ATOM 1094 H GLY A 112 30.067 20.528 23.689 0.00 0.00 A3 H -ATOM 1095 CA GLY A 112 30.842 19.706 25.517 1.00 0.00 A3 C -ATOM 1096 C GLY A 112 31.241 18.367 26.121 1.00 0.00 A3 C -ATOM 1097 O GLY A 112 30.707 18.076 27.174 1.00 0.00 A3 O -ATOM 1098 N SER A 113 32.197 17.622 25.509 1.00 0.00 A3 N -ATOM 1099 H SER A 113 32.084 17.646 24.519 0.00 0.00 A3 H -ATOM 1100 CA SER A 113 32.841 16.574 26.348 1.00 0.00 A3 C -ATOM 1101 CB SER A 113 32.029 15.250 25.996 1.00 0.00 A3 C -ATOM 1102 OG SER A 113 32.364 14.352 24.907 1.00 0.00 A3 O -ATOM 1103 HG SER A 113 31.954 14.607 24.084 0.00 0.00 A3 H -ATOM 1104 C SER A 113 34.359 16.560 27.076 1.00 0.00 A3 C -ATOM 1105 O SER A 113 34.186 16.253 28.262 1.00 0.00 A3 O -ATOM 1106 N ASN A 114 35.678 16.923 26.424 1.00 0.00 A3 N -ATOM 1107 H ASN A 114 35.700 17.626 25.712 0.00 0.00 A3 H -ATOM 1108 CA ASN A 114 37.197 16.725 26.447 1.00 0.00 A3 C -ATOM 1109 CB ASN A 114 37.456 16.634 27.965 1.00 0.00 A3 C -ATOM 1110 CG ASN A 114 37.948 17.802 28.787 1.00 0.00 A3 C -ATOM 1111 OD1 ASN A 114 38.271 17.520 29.937 1.00 0.00 A3 O -ATOM 1112 ND2 ASN A 114 38.080 18.995 28.174 1.00 0.00 A3 N -ATOM 1113 HD21 ASN A 114 37.357 19.144 27.501 0.00 0.00 A3 H -ATOM 1114 HD22 ASN A 114 38.828 19.619 28.404 0.00 0.00 A3 H -ATOM 1115 C ASN A 114 38.209 16.033 25.231 1.00 0.00 A3 C -ATOM 1116 O ASN A 114 39.291 16.515 25.025 1.00 0.00 A3 O -ATOM 1117 N TRP A 115 37.897 14.812 24.452 1.00 0.00 A3 N -ATOM 1118 H TRP A 115 37.069 14.328 24.297 0.00 0.00 A3 H -ATOM 1119 CA TRP A 115 38.129 14.052 23.143 1.00 0.00 A3 C -ATOM 1120 CB TRP A 115 37.372 12.624 22.742 1.00 0.00 A3 C -ATOM 1121 CG TRP A 115 35.890 12.453 22.258 1.00 0.00 A3 C -ATOM 1122 CD2 TRP A 115 35.227 12.708 20.987 1.00 0.00 A3 C -ATOM 1123 CE2 TRP A 115 33.803 12.614 21.177 1.00 0.00 A3 C -ATOM 1124 CE3 TRP A 115 35.711 13.013 19.707 1.00 0.00 A3 C -ATOM 1125 CD1 TRP A 115 34.814 12.140 23.095 1.00 0.00 A3 C -ATOM 1126 NE1 TRP A 115 33.595 12.260 22.487 1.00 0.00 A3 N -ATOM 1127 HE1 TRP A 115 32.693 12.269 22.882 0.00 0.00 A3 H -ATOM 1128 CZ2 TRP A 115 32.905 12.881 20.124 1.00 0.00 A3 C -ATOM 1129 CZ3 TRP A 115 34.815 13.250 18.646 1.00 0.00 A3 C -ATOM 1130 CH2 TRP A 115 33.423 13.211 18.859 1.00 0.00 A3 C -ATOM 1131 C TRP A 115 37.686 14.664 21.927 1.00 0.00 A3 C -ATOM 1132 O TRP A 115 36.539 14.976 21.642 1.00 0.00 A3 O -ATOM 1133 N GLU A 116 38.726 14.803 21.193 1.00 0.00 A3 N -ATOM 1134 H GLU A 116 39.670 14.591 21.405 0.00 0.00 A3 H -ATOM 1135 CA GLU A 116 38.245 15.929 20.533 1.00 0.00 A3 C -ATOM 1136 CB GLU A 116 38.494 17.126 21.522 1.00 0.00 A3 C -ATOM 1137 CG GLU A 116 38.773 18.495 21.092 1.00 0.00 A3 C -ATOM 1138 CD GLU A 116 39.826 19.218 21.742 1.00 0.00 A3 C -ATOM 1139 OE1 GLU A 116 39.536 20.408 21.773 1.00 0.00 A3 O -ATOM 1140 OE2 GLU A 116 40.846 18.624 22.111 1.00 0.00 A3 O -ATOM 1141 C GLU A 116 37.740 15.645 19.105 1.00 0.00 A3 C -ATOM 1142 O GLU A 116 36.679 16.123 18.715 1.00 0.00 A3 O -ATOM 1143 N GLY A 117 38.532 14.741 18.450 1.00 0.00 A3 N -ATOM 1144 H GLY A 117 39.442 14.504 18.820 0.00 0.00 A3 H -ATOM 1145 CA GLY A 117 38.268 14.294 17.088 1.00 0.00 A3 C -ATOM 1146 C GLY A 117 38.181 12.779 16.962 1.00 0.00 A3 C -ATOM 1147 O GLY A 117 37.507 12.161 17.760 1.00 0.00 A3 O -ATOM 1148 N ILE A 118 38.837 12.143 15.955 1.00 0.00 A3 N -ATOM 1149 H ILE A 118 39.388 12.542 15.228 0.00 0.00 A3 H -ATOM 1150 CA ILE A 118 38.731 10.678 15.961 1.00 0.00 A3 C -ATOM 1151 CB ILE A 118 37.426 10.301 15.257 1.00 0.00 A3 C -ATOM 1152 CG2 ILE A 118 37.442 10.772 13.802 1.00 0.00 A3 C -ATOM 1153 CG1 ILE A 118 37.027 8.845 15.461 1.00 0.00 A3 C -ATOM 1154 CD1 ILE A 118 35.629 8.639 14.890 1.00 0.00 A3 C -ATOM 1155 C ILE A 118 39.972 9.908 15.466 1.00 0.00 A3 C -ATOM 1156 O ILE A 118 40.653 10.308 14.532 1.00 0.00 A3 O -ATOM 1157 N LEU A 119 40.246 8.787 16.185 1.00 0.00 A3 N -ATOM 1158 H LEU A 119 39.636 8.523 16.925 0.00 0.00 A3 H -ATOM 1159 CA LEU A 119 41.333 7.858 15.870 1.00 0.00 A3 C -ATOM 1160 CB LEU A 119 42.298 7.588 17.047 1.00 0.00 A3 C -ATOM 1161 CG LEU A 119 43.566 6.829 16.636 1.00 0.00 A3 C -ATOM 1162 CD1 LEU A 119 44.366 7.696 15.695 1.00 0.00 A3 C -ATOM 1163 CD2 LEU A 119 44.431 6.313 17.792 1.00 0.00 A3 C -ATOM 1164 C LEU A 119 40.730 6.545 15.452 1.00 0.00 A3 C -ATOM 1165 O LEU A 119 40.336 5.704 16.255 1.00 0.00 A3 O -ATOM 1166 N GLY A 120 40.703 6.420 14.122 1.00 0.00 A3 N -ATOM 1167 H GLY A 120 41.056 7.151 13.540 0.00 0.00 A3 H -ATOM 1168 CA GLY A 120 40.284 5.139 13.586 1.00 0.00 A3 C -ATOM 1169 C GLY A 120 41.375 4.097 13.707 1.00 0.00 A3 C -ATOM 1170 O GLY A 120 42.444 4.208 13.121 1.00 0.00 A3 O -ATOM 1171 N LEU A 121 41.043 3.090 14.532 1.00 0.00 A3 N -ATOM 1172 H LEU A 121 40.132 3.059 14.938 0.00 0.00 A3 H -ATOM 1173 CA LEU A 121 42.001 2.028 14.826 1.00 0.00 A3 C -ATOM 1174 CB LEU A 121 41.923 1.667 16.305 1.00 0.00 A3 C -ATOM 1175 CG LEU A 121 42.491 2.758 17.204 1.00 0.00 A3 C -ATOM 1176 CD1 LEU A 121 42.159 2.506 18.671 1.00 0.00 A3 C -ATOM 1177 CD2 LEU A 121 43.995 2.911 16.984 1.00 0.00 A3 C -ATOM 1178 C LEU A 121 41.872 0.773 13.987 1.00 0.00 A3 C -ATOM 1179 O LEU A 121 42.674 -0.144 14.104 1.00 0.00 A3 O -ATOM 1180 N ALA A 122 40.832 0.772 13.131 1.00 0.00 A3 N -ATOM 1181 H ALA A 122 40.222 1.560 13.080 0.00 0.00 A3 H -ATOM 1182 CA ALA A 122 40.660 -0.358 12.223 1.00 0.00 A3 C -ATOM 1183 CB ALA A 122 39.182 -0.491 11.837 1.00 0.00 A3 C -ATOM 1184 C ALA A 122 41.557 -0.266 10.995 1.00 0.00 A3 C -ATOM 1185 O ALA A 122 42.414 0.604 10.895 1.00 0.00 A3 O -ATOM 1186 N TYR A 123 41.341 -1.229 10.077 1.00 0.00 A3 N -ATOM 1187 H TYR A 123 40.567 -1.854 10.166 0.00 0.00 A3 H -ATOM 1188 CA TYR A 123 42.287 -1.402 8.973 1.00 0.00 A3 C -ATOM 1189 CB TYR A 123 42.307 -2.861 8.514 1.00 0.00 A3 C -ATOM 1190 CG TYR A 123 42.636 -3.805 9.648 1.00 0.00 A3 C -ATOM 1191 CD1 TYR A 123 41.586 -4.349 10.416 1.00 0.00 A3 C -ATOM 1192 CE1 TYR A 123 41.889 -5.278 11.423 1.00 0.00 A3 C -ATOM 1193 CD2 TYR A 123 43.985 -4.135 9.889 1.00 0.00 A3 C -ATOM 1194 CE2 TYR A 123 44.288 -5.063 10.899 1.00 0.00 A3 C -ATOM 1195 CZ TYR A 123 43.235 -5.633 11.642 1.00 0.00 A3 C -ATOM 1196 OH TYR A 123 43.525 -6.573 12.610 1.00 0.00 A3 O -ATOM 1197 HH TYR A 123 44.453 -6.767 12.605 0.00 0.00 A3 H -ATOM 1198 C TYR A 123 42.048 -0.515 7.767 1.00 0.00 A3 C -ATOM 1199 O TYR A 123 40.976 0.038 7.566 1.00 0.00 A3 O -ATOM 1200 N ALA A 124 43.124 -0.435 6.955 1.00 0.00 A3 N -ATOM 1201 H ALA A 124 43.955 -0.922 7.222 0.00 0.00 A3 H -ATOM 1202 CA ALA A 124 43.147 0.406 5.754 1.00 0.00 A3 C -ATOM 1203 CB ALA A 124 44.447 0.177 4.980 1.00 0.00 A3 C -ATOM 1204 C ALA A 124 41.990 0.269 4.781 1.00 0.00 A3 C -ATOM 1205 O ALA A 124 41.623 1.219 4.103 1.00 0.00 A3 O -ATOM 1206 N GLU A 125 41.429 -0.958 4.756 1.00 0.00 A3 N -ATOM 1207 H GLU A 125 41.788 -1.669 5.361 0.00 0.00 A3 H -ATOM 1208 CA GLU A 125 40.338 -1.282 3.835 1.00 0.00 A3 C -ATOM 1209 CB GLU A 125 40.049 -2.783 3.957 1.00 0.00 A3 C -ATOM 1210 CG GLU A 125 39.166 -3.378 2.850 1.00 0.00 A3 C -ATOM 1211 CD GLU A 125 39.222 -4.902 2.823 1.00 0.00 A3 C -ATOM 1212 OE1 GLU A 125 38.770 -5.471 1.832 1.00 0.00 A3 O -ATOM 1213 OE2 GLU A 125 39.722 -5.518 3.766 1.00 0.00 A3 O -ATOM 1214 C GLU A 125 39.082 -0.416 3.928 1.00 0.00 A3 C -ATOM 1215 O GLU A 125 38.381 -0.208 2.945 1.00 0.00 A3 O -ATOM 1216 N ILE A 126 38.847 0.106 5.151 1.00 0.00 A3 N -ATOM 1217 H ILE A 126 39.464 -0.084 5.914 0.00 0.00 A3 H -ATOM 1218 CA ILE A 126 37.703 1.006 5.312 1.00 0.00 A3 C -ATOM 1219 CB ILE A 126 36.771 0.509 6.423 1.00 0.00 A3 C -ATOM 1220 CG2 ILE A 126 36.093 -0.803 6.020 1.00 0.00 A3 C -ATOM 1221 CG1 ILE A 126 37.502 0.402 7.763 1.00 0.00 A3 C -ATOM 1222 CD1 ILE A 126 36.569 0.151 8.944 1.00 0.00 A3 C -ATOM 1223 C ILE A 126 38.037 2.482 5.508 1.00 0.00 A3 C -ATOM 1224 O ILE A 126 37.190 3.277 5.900 1.00 0.00 A3 O -ATOM 1225 N ALA A 127 39.308 2.818 5.202 1.00 0.00 A3 N -ATOM 1226 H ALA A 127 39.962 2.125 4.906 0.00 0.00 A3 H -ATOM 1227 CA ALA A 127 39.691 4.228 5.238 1.00 0.00 A3 C -ATOM 1228 CB ALA A 127 41.210 4.376 5.353 1.00 0.00 A3 C -ATOM 1229 C ALA A 127 39.217 5.003 4.024 1.00 0.00 A3 C -ATOM 1230 O ALA A 127 39.077 4.478 2.926 1.00 0.00 A3 O -ATOM 1231 N ARG A 128 38.969 6.294 4.302 1.00 0.00 A3 N -ATOM 1232 H ARG A 128 39.103 6.631 5.232 0.00 0.00 A3 H -ATOM 1233 CA ARG A 128 38.568 7.213 3.242 1.00 0.00 A3 C -ATOM 1234 CB ARG A 128 37.330 7.994 3.688 1.00 0.00 A3 C -ATOM 1235 CG ARG A 128 36.102 7.112 3.931 1.00 0.00 A3 C -ATOM 1236 CD ARG A 128 35.661 6.354 2.677 1.00 0.00 A3 C -ATOM 1237 NE ARG A 128 34.395 5.654 2.892 1.00 0.00 A3 N -ATOM 1238 HE ARG A 128 34.350 4.830 3.457 0.00 0.00 A3 H -ATOM 1239 CZ ARG A 128 33.261 6.134 2.337 1.00 0.00 A3 C -ATOM 1240 NH1 ARG A 128 33.264 7.252 1.609 1.00 0.00 A3 N -ATOM 1241 HH11 ARG A 128 32.412 7.583 1.204 0.00 0.00 A3 H -ATOM 1242 HH12 ARG A 128 34.111 7.765 1.465 0.00 0.00 A3 H -ATOM 1243 NH2 ARG A 128 32.116 5.479 2.516 1.00 0.00 A3 N -ATOM 1244 HH21 ARG A 128 31.275 5.830 2.105 0.00 0.00 A3 H -ATOM 1245 HH22 ARG A 128 32.093 4.638 3.058 0.00 0.00 A3 H -ATOM 1246 C ARG A 128 39.719 8.141 2.885 1.00 0.00 A3 C -ATOM 1247 O ARG A 128 40.521 8.480 3.743 1.00 0.00 A3 O -ATOM 1248 N PRO A 129 39.813 8.547 1.590 1.00 0.00 A3 N -ATOM 1249 CD PRO A 129 40.877 9.443 1.143 1.00 0.00 A3 C -ATOM 1250 CA PRO A 129 38.882 8.187 0.506 1.00 0.00 A3 C -ATOM 1251 CB PRO A 129 39.253 9.205 -0.579 1.00 0.00 A3 C -ATOM 1252 CG PRO A 129 40.742 9.474 -0.371 1.00 0.00 A3 C -ATOM 1253 C PRO A 129 38.956 6.737 0.032 1.00 0.00 A3 C -ATOM 1254 O PRO A 129 37.992 6.198 -0.497 1.00 0.00 A3 O -ATOM 1255 N ASP A 130 40.142 6.136 0.271 1.00 0.00 A3 N -ATOM 1256 H ASP A 130 40.884 6.669 0.676 0.00 0.00 A3 H -ATOM 1257 CA ASP A 130 40.368 4.731 -0.065 1.00 0.00 A3 C -ATOM 1258 CB ASP A 130 40.645 4.549 -1.573 1.00 0.00 A3 C -ATOM 1259 CG ASP A 130 41.731 5.479 -2.089 1.00 0.00 A3 C -ATOM 1260 OD1 ASP A 130 42.861 5.388 -1.621 1.00 0.00 A3 O -ATOM 1261 OD2 ASP A 130 41.440 6.288 -2.968 1.00 0.00 A3 O -ATOM 1262 C ASP A 130 41.449 4.110 0.809 1.00 0.00 A3 C -ATOM 1263 O ASP A 130 41.995 4.753 1.698 1.00 0.00 A3 O -ATOM 1264 N ASP A 131 41.732 2.824 0.504 1.00 0.00 A3 N -ATOM 1265 H ASP A 131 41.217 2.358 -0.214 0.00 0.00 A3 H -ATOM 1266 CA ASP A 131 42.730 2.079 1.279 1.00 0.00 A3 C -ATOM 1267 CB ASP A 131 42.574 0.560 1.047 1.00 0.00 A3 C -ATOM 1268 CG ASP A 131 42.884 0.078 -0.369 1.00 0.00 A3 C -ATOM 1269 OD1 ASP A 131 43.463 0.819 -1.164 1.00 0.00 A3 O -ATOM 1270 OD2 ASP A 131 42.545 -1.066 -0.667 1.00 0.00 A3 O -ATOM 1271 C ASP A 131 44.196 2.498 1.207 1.00 0.00 A3 C -ATOM 1272 O ASP A 131 45.036 1.938 1.901 1.00 0.00 A3 O -ATOM 1273 N SER A 132 44.472 3.498 0.341 1.00 0.00 A3 N -ATOM 1274 H SER A 132 43.736 3.975 -0.137 0.00 0.00 A3 H -ATOM 1275 CA SER A 132 45.854 3.976 0.246 1.00 0.00 A3 C -ATOM 1276 CB SER A 132 46.158 4.505 -1.161 1.00 0.00 A3 C -ATOM 1277 OG SER A 132 45.556 5.790 -1.352 1.00 0.00 A3 O -ATOM 1278 HG SER A 132 45.515 5.941 -2.287 0.00 0.00 A3 H -ATOM 1279 C SER A 132 46.248 4.992 1.306 1.00 0.00 A3 C -ATOM 1280 O SER A 132 47.413 5.341 1.457 1.00 0.00 A3 O -ATOM 1281 N LEU A 133 45.209 5.437 2.043 1.00 0.00 A3 N -ATOM 1282 H LEU A 133 44.279 5.116 1.866 0.00 0.00 A3 H -ATOM 1283 CA LEU A 133 45.465 6.288 3.197 1.00 0.00 A3 C -ATOM 1284 CB LEU A 133 44.285 7.232 3.427 1.00 0.00 A3 C -ATOM 1285 CG LEU A 133 44.658 8.411 4.325 1.00 0.00 A3 C -ATOM 1286 CD1 LEU A 133 45.460 9.461 3.555 1.00 0.00 A3 C -ATOM 1287 CD2 LEU A 133 43.445 9.002 5.038 1.00 0.00 A3 C -ATOM 1288 C LEU A 133 45.732 5.463 4.440 1.00 0.00 A3 C -ATOM 1289 O LEU A 133 44.819 4.984 5.102 1.00 0.00 A3 O -ATOM 1290 N GLU A 134 47.047 5.330 4.709 1.00 0.00 A3 N -ATOM 1291 H GLU A 134 47.708 5.755 4.091 0.00 0.00 A3 H -ATOM 1292 CA GLU A 134 47.524 4.552 5.854 1.00 0.00 A3 C -ATOM 1293 CB GLU A 134 49.058 4.501 5.803 1.00 0.00 A3 C -ATOM 1294 CG GLU A 134 49.705 3.625 6.882 1.00 0.00 A3 C -ATOM 1295 CD GLU A 134 51.206 3.548 6.678 1.00 0.00 A3 C -ATOM 1296 OE1 GLU A 134 51.664 2.577 6.079 1.00 0.00 A3 O -ATOM 1297 OE2 GLU A 134 51.913 4.447 7.130 1.00 0.00 A3 O -ATOM 1298 C GLU A 134 47.026 5.065 7.200 1.00 0.00 A3 C -ATOM 1299 O GLU A 134 47.326 6.180 7.608 1.00 0.00 A3 O -ATOM 1300 N PRO A 135 46.240 4.190 7.888 1.00 0.00 A3 N -ATOM 1301 CD PRO A 135 45.782 2.878 7.445 1.00 0.00 A3 C -ATOM 1302 CA PRO A 135 45.742 4.528 9.227 1.00 0.00 A3 C -ATOM 1303 CB PRO A 135 44.891 3.312 9.612 1.00 0.00 A3 C -ATOM 1304 CG PRO A 135 44.543 2.630 8.294 1.00 0.00 A3 C -ATOM 1305 C PRO A 135 46.864 4.763 10.218 1.00 0.00 A3 C -ATOM 1306 O PRO A 135 47.995 4.337 10.015 1.00 0.00 A3 O -ATOM 1307 N PHE A 136 46.486 5.472 11.298 1.00 0.00 A3 N -ATOM 1308 H PHE A 136 45.540 5.787 11.371 0.00 0.00 A3 H -ATOM 1309 CA PHE A 136 47.474 5.816 12.323 1.00 0.00 A3 C -ATOM 1310 CB PHE A 136 46.810 6.662 13.414 1.00 0.00 A3 C -ATOM 1311 CG PHE A 136 47.750 6.953 14.568 1.00 0.00 A3 C -ATOM 1312 CD1 PHE A 136 48.645 8.041 14.484 1.00 0.00 A3 C -ATOM 1313 CD2 PHE A 136 47.722 6.118 15.710 1.00 0.00 A3 C -ATOM 1314 CE1 PHE A 136 49.534 8.288 15.548 1.00 0.00 A3 C -ATOM 1315 CE2 PHE A 136 48.611 6.363 16.773 1.00 0.00 A3 C -ATOM 1316 CZ PHE A 136 49.512 7.444 16.679 1.00 0.00 A3 C -ATOM 1317 C PHE A 136 48.234 4.646 12.924 1.00 0.00 A3 C -ATOM 1318 O PHE A 136 49.446 4.711 13.068 1.00 0.00 A3 O -ATOM 1319 N PHE A 137 47.472 3.587 13.276 1.00 0.00 A3 N -ATOM 1320 H PHE A 137 46.483 3.597 13.127 0.00 0.00 A3 H -ATOM 1321 CA PHE A 137 48.131 2.444 13.912 1.00 0.00 A3 C -ATOM 1322 CB PHE A 137 47.100 1.486 14.522 1.00 0.00 A3 C -ATOM 1323 CG PHE A 137 47.730 0.684 15.642 1.00 0.00 A3 C -ATOM 1324 CD1 PHE A 137 47.841 1.261 16.926 1.00 0.00 A3 C -ATOM 1325 CD2 PHE A 137 48.197 -0.625 15.391 1.00 0.00 A3 C -ATOM 1326 CE1 PHE A 137 48.427 0.520 17.971 1.00 0.00 A3 C -ATOM 1327 CE2 PHE A 137 48.783 -1.367 16.436 1.00 0.00 A3 C -ATOM 1328 CZ PHE A 137 48.895 -0.786 17.716 1.00 0.00 A3 C -ATOM 1329 C PHE A 137 49.118 1.701 13.026 1.00 0.00 A3 C -ATOM 1330 O PHE A 137 50.130 1.193 13.488 1.00 0.00 A3 O -ATOM 1331 N ASP A 138 48.787 1.703 11.717 1.00 0.00 A3 N -ATOM 1332 H ASP A 138 47.927 2.113 11.415 0.00 0.00 A3 H -ATOM 1333 CA ASP A 138 49.718 1.149 10.731 1.00 0.00 A3 C -ATOM 1334 CB ASP A 138 49.032 0.988 9.372 1.00 0.00 A3 C -ATOM 1335 CG ASP A 138 47.922 -0.042 9.435 1.00 0.00 A3 C -ATOM 1336 OD1 ASP A 138 48.173 -1.193 9.081 1.00 0.00 A3 O -ATOM 1337 OD2 ASP A 138 46.808 0.310 9.819 1.00 0.00 A3 O -ATOM 1338 C ASP A 138 51.005 1.944 10.570 1.00 0.00 A3 C -ATOM 1339 O ASP A 138 52.076 1.377 10.401 1.00 0.00 A3 O -ATOM 1340 N SER A 139 50.844 3.284 10.661 1.00 0.00 A3 N -ATOM 1341 H SER A 139 49.927 3.663 10.772 0.00 0.00 A3 H -ATOM 1342 CA SER A 139 52.005 4.181 10.653 1.00 0.00 A3 C -ATOM 1343 CB SER A 139 51.566 5.645 10.551 1.00 0.00 A3 C -ATOM 1344 OG SER A 139 50.747 5.839 9.397 1.00 0.00 A3 O -ATOM 1345 HG SER A 139 50.646 6.775 9.292 0.00 0.00 A3 H -ATOM 1346 C SER A 139 52.917 4.030 11.856 1.00 0.00 A3 C -ATOM 1347 O SER A 139 54.134 4.061 11.744 1.00 0.00 A3 O -ATOM 1348 N LEU A 140 52.252 3.847 13.015 1.00 0.00 A3 N -ATOM 1349 H LEU A 140 51.254 3.834 12.998 0.00 0.00 A3 H -ATOM 1350 CA LEU A 140 52.947 3.650 14.285 1.00 0.00 A3 C -ATOM 1351 CB LEU A 140 51.909 3.608 15.411 1.00 0.00 A3 C -ATOM 1352 CG LEU A 140 52.472 3.440 16.825 1.00 0.00 A3 C -ATOM 1353 CD1 LEU A 140 53.342 4.619 17.259 1.00 0.00 A3 C -ATOM 1354 CD2 LEU A 140 51.353 3.162 17.823 1.00 0.00 A3 C -ATOM 1355 C LEU A 140 53.839 2.421 14.310 1.00 0.00 A3 C -ATOM 1356 O LEU A 140 55.013 2.497 14.639 1.00 0.00 A3 O -ATOM 1357 N VAL A 141 53.220 1.289 13.919 1.00 0.00 A3 N -ATOM 1358 H VAL A 141 52.263 1.327 13.636 0.00 0.00 A3 H -ATOM 1359 CA VAL A 141 53.957 0.024 13.864 1.00 0.00 A3 C -ATOM 1360 CB VAL A 141 52.964 -1.124 13.605 1.00 0.00 A3 C -ATOM 1361 CG1 VAL A 141 53.629 -2.484 13.369 1.00 0.00 A3 C -ATOM 1362 CG2 VAL A 141 51.969 -1.205 14.763 1.00 0.00 A3 C -ATOM 1363 C VAL A 141 55.104 0.025 12.860 1.00 0.00 A3 C -ATOM 1364 O VAL A 141 56.173 -0.523 13.105 1.00 0.00 A3 O -ATOM 1365 N LYS A 142 54.827 0.696 11.724 1.00 0.00 A3 N -ATOM 1366 H LYS A 142 53.944 1.152 11.613 0.00 0.00 A3 H -ATOM 1367 CA LYS A 142 55.830 0.763 10.662 1.00 0.00 A3 C -ATOM 1368 CB LYS A 142 55.158 1.201 9.359 1.00 0.00 A3 C -ATOM 1369 CG LYS A 142 55.774 0.552 8.120 1.00 0.00 A3 C -ATOM 1370 CD LYS A 142 55.043 0.926 6.830 1.00 0.00 A3 C -ATOM 1371 CE LYS A 142 55.623 0.200 5.614 1.00 0.00 A3 C -ATOM 1372 NZ LYS A 142 54.910 0.618 4.399 1.00 0.00 A3 N -ATOM 1373 HZ1 LYS A 142 55.334 0.151 3.572 0.00 0.00 A3 H -ATOM 1374 HZ2 LYS A 142 53.907 0.352 4.470 0.00 0.00 A3 H -ATOM 1375 HZ3 LYS A 142 54.989 1.650 4.293 0.00 0.00 A3 H -ATOM 1376 C LYS A 142 57.047 1.622 10.972 1.00 0.00 A3 C -ATOM 1377 O LYS A 142 58.162 1.328 10.559 1.00 0.00 A3 O -ATOM 1378 N GLN A 143 56.772 2.700 11.731 1.00 0.00 A3 N -ATOM 1379 H GLN A 143 55.849 2.847 12.086 0.00 0.00 A3 H -ATOM 1380 CA GLN A 143 57.845 3.640 12.051 1.00 0.00 A3 C -ATOM 1381 CB GLN A 143 57.316 5.071 11.985 1.00 0.00 A3 C -ATOM 1382 CG GLN A 143 56.844 5.443 10.580 1.00 0.00 A3 C -ATOM 1383 CD GLN A 143 56.150 6.785 10.615 1.00 0.00 A3 C -ATOM 1384 OE1 GLN A 143 56.552 7.713 11.305 1.00 0.00 A3 O -ATOM 1385 NE2 GLN A 143 55.068 6.832 9.822 1.00 0.00 A3 N -ATOM 1386 HE21 GLN A 143 54.794 6.038 9.280 0.00 0.00 A3 H -ATOM 1387 HE22 GLN A 143 54.524 7.667 9.765 0.00 0.00 A3 H -ATOM 1388 C GLN A 143 58.561 3.409 13.370 1.00 0.00 A3 C -ATOM 1389 O GLN A 143 59.610 3.989 13.620 1.00 0.00 A3 O -ATOM 1390 N THR A 144 57.947 2.544 14.208 1.00 0.00 A3 N -ATOM 1391 H THR A 144 57.083 2.112 13.952 0.00 0.00 A3 H -ATOM 1392 CA THR A 144 58.548 2.284 15.519 1.00 0.00 A3 C -ATOM 1393 CB THR A 144 57.758 2.984 16.637 1.00 0.00 A3 C -ATOM 1394 OG1 THR A 144 56.471 2.388 16.809 1.00 0.00 A3 O -ATOM 1395 HG1 THR A 144 56.060 2.829 17.540 0.00 0.00 A3 H -ATOM 1396 CG2 THR A 144 57.620 4.485 16.389 1.00 0.00 A3 C -ATOM 1397 C THR A 144 58.705 0.800 15.814 1.00 0.00 A3 C -ATOM 1398 O THR A 144 58.434 -0.050 14.975 1.00 0.00 A3 O -ATOM 1399 N HIS A 145 59.144 0.532 17.064 1.00 0.00 A3 N -ATOM 1400 H HIS A 145 59.359 1.270 17.704 0.00 0.00 A3 H -ATOM 1401 CA HIS A 145 59.183 -0.861 17.510 1.00 0.00 A3 C -ATOM 1402 CB HIS A 145 60.450 -1.157 18.315 1.00 0.00 A3 C -ATOM 1403 CG HIS A 145 61.676 -1.201 17.434 1.00 0.00 A3 C -ATOM 1404 ND1 HIS A 145 62.894 -0.830 17.866 1.00 0.00 A3 N -ATOM 1405 HD1 HIS A 145 63.112 -0.498 18.762 0.00 0.00 A3 H -ATOM 1406 CD2 HIS A 145 61.781 -1.632 16.107 1.00 0.00 A3 C -ATOM 1407 NE2 HIS A 145 63.083 -1.515 15.746 1.00 0.00 A3 N -ATOM 1408 CE1 HIS A 145 63.767 -1.022 16.827 1.00 0.00 A3 C -ATOM 1409 C HIS A 145 57.980 -1.313 18.318 1.00 0.00 A3 C -ATOM 1410 O HIS A 145 57.986 -2.401 18.882 1.00 0.00 A3 O -ATOM 1411 N VAL A 146 56.946 -0.441 18.343 1.00 0.00 A3 N -ATOM 1412 H VAL A 146 57.021 0.442 17.881 0.00 0.00 A3 H -ATOM 1413 CA VAL A 146 55.688 -0.806 19.002 1.00 0.00 A3 C -ATOM 1414 CB VAL A 146 54.729 0.401 19.000 1.00 0.00 A3 C -ATOM 1415 CG1 VAL A 146 53.322 0.065 19.506 1.00 0.00 A3 C -ATOM 1416 CG2 VAL A 146 55.328 1.559 19.801 1.00 0.00 A3 C -ATOM 1417 C VAL A 146 55.044 -2.027 18.361 1.00 0.00 A3 C -ATOM 1418 O VAL A 146 54.731 -2.037 17.176 1.00 0.00 A3 O -ATOM 1419 N PRO A 147 54.868 -3.077 19.211 1.00 0.00 A3 N -ATOM 1420 CD PRO A 147 55.289 -3.150 20.608 1.00 0.00 A3 C -ATOM 1421 CA PRO A 147 54.221 -4.311 18.753 1.00 0.00 A3 C -ATOM 1422 CB PRO A 147 54.217 -5.183 20.014 1.00 0.00 A3 C -ATOM 1423 CG PRO A 147 55.344 -4.644 20.891 1.00 0.00 A3 C -ATOM 1424 C PRO A 147 52.835 -4.075 18.180 1.00 0.00 A3 C -ATOM 1425 O PRO A 147 52.147 -3.127 18.538 1.00 0.00 A3 O -ATOM 1426 N ASN A 148 52.494 -4.972 17.235 1.00 0.00 A3 N -ATOM 1427 H ASN A 148 53.097 -5.750 17.061 0.00 0.00 A3 H -ATOM 1428 CA ASN A 148 51.262 -4.797 16.468 1.00 0.00 A3 C -ATOM 1429 CB ASN A 148 51.452 -5.407 15.074 1.00 0.00 A3 C -ATOM 1430 CG ASN A 148 50.350 -4.970 14.128 1.00 0.00 A3 C -ATOM 1431 OD1 ASN A 148 49.794 -3.884 14.231 1.00 0.00 A3 O -ATOM 1432 ND2 ASN A 148 50.050 -5.902 13.208 1.00 0.00 A3 N -ATOM 1433 HD21 ASN A 148 50.568 -6.755 13.161 0.00 0.00 A3 H -ATOM 1434 HD22 ASN A 148 49.303 -5.755 12.559 0.00 0.00 A3 H -ATOM 1435 C ASN A 148 50.009 -5.317 17.157 1.00 0.00 A3 C -ATOM 1436 O ASN A 148 49.392 -6.286 16.735 1.00 0.00 A3 O -ATOM 1437 N LEU A 149 49.672 -4.591 18.237 1.00 0.00 A3 N -ATOM 1438 H LEU A 149 50.250 -3.819 18.495 0.00 0.00 A3 H -ATOM 1439 CA LEU A 149 48.458 -4.856 19.004 1.00 0.00 A3 C -ATOM 1440 CB LEU A 149 48.449 -6.239 19.693 1.00 0.00 A3 C -ATOM 1441 CG LEU A 149 49.319 -6.465 20.939 1.00 0.00 A3 C -ATOM 1442 CD1 LEU A 149 48.916 -7.757 21.649 1.00 0.00 A3 C -ATOM 1443 CD2 LEU A 149 50.820 -6.456 20.656 1.00 0.00 A3 C -ATOM 1444 C LEU A 149 48.203 -3.760 20.012 1.00 0.00 A3 C -ATOM 1445 O LEU A 149 49.104 -3.045 20.431 1.00 0.00 A3 O -ATOM 1446 N PHE A 150 46.919 -3.683 20.386 1.00 0.00 A3 N -ATOM 1447 H PHE A 150 46.236 -4.259 19.938 0.00 0.00 A3 H -ATOM 1448 CA PHE A 150 46.539 -2.785 21.470 1.00 0.00 A3 C -ATOM 1449 CB PHE A 150 46.209 -1.371 20.953 1.00 0.00 A3 C -ATOM 1450 CG PHE A 150 45.017 -1.354 20.019 1.00 0.00 A3 C -ATOM 1451 CD1 PHE A 150 45.208 -1.583 18.639 1.00 0.00 A3 C -ATOM 1452 CD2 PHE A 150 43.732 -1.097 20.547 1.00 0.00 A3 C -ATOM 1453 CE1 PHE A 150 44.098 -1.558 17.773 1.00 0.00 A3 C -ATOM 1454 CE2 PHE A 150 42.622 -1.072 19.682 1.00 0.00 A3 C -ATOM 1455 CZ PHE A 150 42.816 -1.305 18.304 1.00 0.00 A3 C -ATOM 1456 C PHE A 150 45.399 -3.390 22.253 1.00 0.00 A3 C -ATOM 1457 O PHE A 150 44.763 -4.315 21.778 1.00 0.00 A3 O -ATOM 1458 N SER A 151 45.154 -2.841 23.453 1.00 0.00 A3 N -ATOM 1459 H SER A 151 45.749 -2.147 23.857 0.00 0.00 A3 H -ATOM 1460 CA SER A 151 43.989 -3.332 24.181 1.00 0.00 A3 C -ATOM 1461 CB SER A 151 44.384 -4.408 25.198 1.00 0.00 A3 C -ATOM 1462 OG SER A 151 45.682 -4.158 25.732 1.00 0.00 A3 O -ATOM 1463 HG SER A 151 45.801 -4.775 26.441 0.00 0.00 A3 H -ATOM 1464 C SER A 151 43.163 -2.220 24.791 1.00 0.00 A3 C -ATOM 1465 O SER A 151 43.608 -1.091 24.923 1.00 0.00 A3 O -ATOM 1466 N LEU A 152 41.913 -2.588 25.122 1.00 0.00 A3 N -ATOM 1467 H LEU A 152 41.617 -3.525 24.956 0.00 0.00 A3 H -ATOM 1468 CA LEU A 152 40.961 -1.600 25.626 1.00 0.00 A3 C -ATOM 1469 CB LEU A 152 39.952 -1.216 24.542 1.00 0.00 A3 C -ATOM 1470 CG LEU A 152 40.490 -0.259 23.482 1.00 0.00 A3 C -ATOM 1471 CD1 LEU A 152 39.541 -0.134 22.297 1.00 0.00 A3 C -ATOM 1472 CD2 LEU A 152 40.750 1.114 24.080 1.00 0.00 A3 C -ATOM 1473 C LEU A 152 40.211 -2.079 26.851 1.00 0.00 A3 C -ATOM 1474 O LEU A 152 39.470 -3.052 26.829 1.00 0.00 A3 O -ATOM 1475 N GLN A 153 40.430 -1.300 27.921 1.00 0.00 A3 N -ATOM 1476 H GLN A 153 41.031 -0.511 27.817 0.00 0.00 A3 H -ATOM 1477 CA GLN A 153 39.684 -1.475 29.162 1.00 0.00 A3 C -ATOM 1478 CB GLN A 153 40.649 -1.443 30.352 1.00 0.00 A3 C -ATOM 1479 CG GLN A 153 39.977 -1.637 31.718 1.00 0.00 A3 C -ATOM 1480 CD GLN A 153 40.855 -1.080 32.824 1.00 0.00 A3 C -ATOM 1481 OE1 GLN A 153 41.467 -0.026 32.696 1.00 0.00 A3 O -ATOM 1482 NE2 GLN A 153 40.883 -1.845 33.930 1.00 0.00 A3 N -ATOM 1483 HE21 GLN A 153 40.348 -2.688 33.986 0.00 0.00 A3 H -ATOM 1484 HE22 GLN A 153 41.446 -1.575 34.712 0.00 0.00 A3 H -ATOM 1485 C GLN A 153 38.690 -0.340 29.285 1.00 0.00 A3 C -ATOM 1486 O GLN A 153 39.005 0.730 29.779 1.00 0.00 A3 O -ATOM 1487 N LEU A 154 37.468 -0.605 28.805 1.00 0.00 A3 N -ATOM 1488 H LEU A 154 37.253 -1.489 28.394 0.00 0.00 A3 H -ATOM 1489 CA LEU A 154 36.473 0.454 28.972 1.00 0.00 A3 C -ATOM 1490 CB LEU A 154 35.489 0.500 27.797 1.00 0.00 A3 C -ATOM 1491 CG LEU A 154 36.149 0.459 26.411 1.00 0.00 A3 C -ATOM 1492 CD1 LEU A 154 35.144 0.756 25.299 1.00 0.00 A3 C -ATOM 1493 CD2 LEU A 154 37.354 1.376 26.286 1.00 0.00 A3 C -ATOM 1494 C LEU A 154 35.737 0.279 30.278 1.00 0.00 A3 C -ATOM 1495 O LEU A 154 35.220 -0.790 30.568 1.00 0.00 A3 O -ATOM 1496 N CYS A 155 35.739 1.365 31.066 1.00 0.00 A3 N -ATOM 1497 H CYS A 155 36.185 2.198 30.743 0.00 0.00 A3 H -ATOM 1498 CA CYS A 155 35.071 1.278 32.366 1.00 0.00 A3 C -ATOM 1499 CB CYS A 155 36.013 1.592 33.529 1.00 0.00 A3 C -ATOM 1500 SG CYS A 155 37.566 0.670 33.528 1.00 0.00 A3 S -ATOM 1501 C CYS A 155 33.896 2.216 32.476 1.00 0.00 A3 C -ATOM 1502 O CYS A 155 33.952 3.364 32.057 1.00 0.00 A3 O -ATOM 1503 N GLY A 156 32.833 1.669 33.092 1.00 0.00 A3 N -ATOM 1504 H GLY A 156 32.921 0.752 33.481 0.00 0.00 A3 H -ATOM 1505 CA GLY A 156 31.626 2.472 33.282 1.00 0.00 A3 C -ATOM 1506 C GLY A 156 31.757 3.522 34.372 1.00 0.00 A3 C -ATOM 1507 O GLY A 156 32.796 4.147 34.553 1.00 0.00 A3 O -ATOM 1508 N ALA A 157 30.633 3.683 35.095 1.00 0.00 A3 N -ATOM 1509 H ALA A 157 29.826 3.122 34.910 0.00 0.00 A3 H -ATOM 1510 CA ALA A 157 30.643 4.650 36.189 1.00 0.00 A3 C -ATOM 1511 CB ALA A 157 29.226 5.148 36.474 1.00 0.00 A3 C -ATOM 1512 C ALA A 157 31.241 4.095 37.468 1.00 0.00 A3 C -ATOM 1513 O ALA A 157 32.322 4.471 37.904 1.00 0.00 A3 O -ATOM 1514 N SER A 169 32.790 11.243 33.543 1.00 0.00 A4 N -ATOM 1515 H SER A 169 33.778 11.201 33.391 0.00 0.00 A4 H -ATOM 1516 CA SER A 169 32.104 10.259 34.377 1.00 0.00 A4 C -ATOM 1517 CB SER A 169 30.595 10.335 34.151 1.00 0.00 A4 C -ATOM 1518 OG SER A 169 30.309 10.095 32.770 1.00 0.00 A4 O -ATOM 1519 HG SER A 169 29.376 10.219 32.665 0.00 0.00 A4 H -ATOM 1520 C SER A 169 32.595 8.834 34.217 1.00 0.00 A4 C -ATOM 1521 O SER A 169 32.591 8.058 35.166 1.00 0.00 A4 O -ATOM 1522 N VAL A 170 33.026 8.511 32.980 1.00 0.00 A4 N -ATOM 1523 H VAL A 170 33.112 9.187 32.247 0.00 0.00 A4 H -ATOM 1524 CA VAL A 170 33.532 7.144 32.893 1.00 0.00 A4 C -ATOM 1525 CB VAL A 170 32.892 6.336 31.722 1.00 0.00 A4 C -ATOM 1526 CG1 VAL A 170 31.413 6.116 32.011 1.00 0.00 A4 C -ATOM 1527 CG2 VAL A 170 32.822 6.952 30.348 1.00 0.00 A4 C -ATOM 1528 C VAL A 170 35.044 7.010 33.160 1.00 0.00 A4 C -ATOM 1529 O VAL A 170 35.618 7.945 33.708 1.00 0.00 A4 O -ATOM 1530 N GLY A 171 35.640 5.826 32.829 1.00 0.00 A4 N -ATOM 1531 H GLY A 171 35.012 5.112 32.534 0.00 0.00 A4 H -ATOM 1532 CA GLY A 171 37.044 5.458 33.168 1.00 0.00 A4 C -ATOM 1533 C GLY A 171 37.704 4.433 32.193 1.00 0.00 A4 C -ATOM 1534 O GLY A 171 36.947 3.823 31.466 1.00 0.00 A4 O -ATOM 1535 N GLY A 172 39.078 4.231 32.164 1.00 0.00 A4 N -ATOM 1536 H GLY A 172 39.683 4.934 32.536 0.00 0.00 A4 H -ATOM 1537 CA GLY A 172 39.707 3.045 31.505 1.00 0.00 A4 C -ATOM 1538 C GLY A 172 41.048 3.201 30.717 1.00 0.00 A4 C -ATOM 1539 O GLY A 172 41.646 4.252 30.767 1.00 0.00 A4 O -ATOM 1540 N SER A 173 41.513 2.152 29.964 1.00 0.00 A4 N -ATOM 1541 H SER A 173 40.830 1.464 29.746 0.00 0.00 A4 H -ATOM 1542 CA SER A 173 42.845 2.172 29.283 1.00 0.00 A4 C -ATOM 1543 CB SER A 173 43.820 1.400 30.168 1.00 0.00 A4 C -ATOM 1544 OG SER A 173 43.532 1.701 31.534 1.00 0.00 A4 O -ATOM 1545 HG SER A 173 44.039 1.102 32.061 0.00 0.00 A4 H -ATOM 1546 C SER A 173 43.005 1.622 27.820 1.00 0.00 A4 C -ATOM 1547 O SER A 173 42.839 0.429 27.604 1.00 0.00 A4 O -ATOM 1548 N MET A 174 43.428 2.487 26.836 1.00 0.00 A4 N -ATOM 1549 H MET A 174 43.358 3.481 26.942 0.00 0.00 A4 H -ATOM 1550 CA MET A 174 43.984 1.992 25.546 1.00 0.00 A4 C -ATOM 1551 CB MET A 174 43.728 3.028 24.439 1.00 0.00 A4 C -ATOM 1552 CG MET A 174 43.820 2.412 23.039 1.00 0.00 A4 C -ATOM 1553 SD MET A 174 43.705 3.665 21.777 1.00 0.00 A4 S -ATOM 1554 CE MET A 174 45.150 4.555 22.331 1.00 0.00 A4 C -ATOM 1555 C MET A 174 45.459 1.517 25.455 1.00 0.00 A4 C -ATOM 1556 O MET A 174 46.324 2.206 24.942 1.00 0.00 A4 O -ATOM 1557 N ILE A 175 45.709 0.285 25.926 1.00 0.00 A4 N -ATOM 1558 H ILE A 175 44.931 -0.169 26.350 0.00 0.00 A4 H -ATOM 1559 CA ILE A 175 47.067 -0.297 25.960 1.00 0.00 A4 C -ATOM 1560 CB ILE A 175 47.044 -1.649 26.686 1.00 0.00 A4 C -ATOM 1561 CG2 ILE A 175 48.455 -2.226 26.916 1.00 0.00 A4 C -ATOM 1562 CG1 ILE A 175 46.176 -1.578 27.947 1.00 0.00 A4 C -ATOM 1563 CD1 ILE A 175 46.900 -1.836 29.263 1.00 0.00 A4 C -ATOM 1564 C ILE A 175 47.804 -0.479 24.629 1.00 0.00 A4 C -ATOM 1565 O ILE A 175 47.624 -1.459 23.921 1.00 0.00 A4 O -ATOM 1566 N ILE A 176 48.682 0.495 24.330 1.00 0.00 A4 N -ATOM 1567 H ILE A 176 48.839 1.230 24.984 0.00 0.00 A4 H -ATOM 1568 CA ILE A 176 49.391 0.412 23.049 1.00 0.00 A4 C -ATOM 1569 CB ILE A 176 49.583 1.794 22.423 1.00 0.00 A4 C -ATOM 1570 CG2 ILE A 176 50.144 1.692 21.002 1.00 0.00 A4 C -ATOM 1571 CG1 ILE A 176 48.280 2.583 22.432 1.00 0.00 A4 C -ATOM 1572 CD1 ILE A 176 48.470 3.961 21.800 1.00 0.00 A4 C -ATOM 1573 C ILE A 176 50.705 -0.346 23.084 1.00 0.00 A4 C -ATOM 1574 O ILE A 176 51.669 0.009 23.752 1.00 0.00 A4 O -ATOM 1575 N GLY A 177 50.668 -1.423 22.282 1.00 0.00 A4 N -ATOM 1576 H GLY A 177 49.813 -1.631 21.807 0.00 0.00 A4 H -ATOM 1577 CA GLY A 177 51.835 -2.291 22.161 1.00 0.00 A4 C -ATOM 1578 C GLY A 177 51.796 -3.546 23.010 1.00 0.00 A4 C -ATOM 1579 O GLY A 177 52.770 -4.286 23.059 1.00 0.00 A4 O -ATOM 1580 N GLY A 178 50.644 -3.771 23.681 1.00 0.00 A4 N -ATOM 1581 H GLY A 178 49.867 -3.139 23.665 0.00 0.00 A4 H -ATOM 1582 CA GLY A 178 50.640 -5.011 24.453 1.00 0.00 A4 C -ATOM 1583 C GLY A 178 49.395 -5.335 25.250 1.00 0.00 A4 C -ATOM 1584 O GLY A 178 48.278 -4.945 24.931 1.00 0.00 A4 O -ATOM 1585 N ILE A 179 49.693 -6.095 26.328 1.00 0.00 A4 N -ATOM 1586 H ILE A 179 50.628 -6.438 26.410 0.00 0.00 A4 H -ATOM 1587 CA ILE A 179 48.710 -6.472 27.346 1.00 0.00 A4 C -ATOM 1588 CB ILE A 179 48.321 -7.957 27.179 1.00 0.00 A4 C -ATOM 1589 CG2 ILE A 179 47.326 -8.431 28.245 1.00 0.00 A4 C -ATOM 1590 CG1 ILE A 179 47.805 -8.248 25.766 1.00 0.00 A4 C -ATOM 1591 CD1 ILE A 179 47.674 -9.742 25.464 1.00 0.00 A4 C -ATOM 1592 C ILE A 179 49.277 -6.227 28.743 1.00 0.00 A4 C -ATOM 1593 O ILE A 179 50.362 -6.685 29.081 1.00 0.00 A4 O -ATOM 1594 N ASP A 180 48.475 -5.491 29.541 1.00 0.00 A4 N -ATOM 1595 H ASP A 180 47.609 -5.147 29.185 0.00 0.00 A4 H -ATOM 1596 CA ASP A 180 48.800 -5.334 30.959 1.00 0.00 A4 C -ATOM 1597 CB ASP A 180 48.633 -3.863 31.365 1.00 0.00 A4 C -ATOM 1598 CG ASP A 180 49.235 -3.467 32.706 1.00 0.00 A4 C -ATOM 1599 OD1 ASP A 180 49.629 -2.309 32.836 1.00 0.00 A4 O -ATOM 1600 OD2 ASP A 180 49.299 -4.290 33.617 1.00 0.00 A4 O -ATOM 1601 C ASP A 180 47.928 -6.251 31.796 1.00 0.00 A4 C -ATOM 1602 O ASP A 180 46.709 -6.136 31.843 1.00 0.00 A4 O -ATOM 1603 N HIS A 181 48.650 -7.179 32.449 1.00 0.00 A4 N -ATOM 1604 H HIS A 181 49.643 -7.172 32.333 0.00 0.00 A4 H -ATOM 1605 CA HIS A 181 48.015 -8.234 33.241 1.00 0.00 A4 C -ATOM 1606 CB HIS A 181 49.050 -9.307 33.582 1.00 0.00 A4 C -ATOM 1607 CG HIS A 181 49.448 -10.036 32.321 1.00 0.00 A4 C -ATOM 1608 ND1 HIS A 181 48.773 -11.097 31.847 1.00 0.00 A4 N -ATOM 1609 HD1 HIS A 181 47.982 -11.508 32.254 0.00 0.00 A4 H -ATOM 1610 CD2 HIS A 181 50.513 -9.756 31.459 1.00 0.00 A4 C -ATOM 1611 NE2 HIS A 181 50.469 -10.666 30.455 1.00 0.00 A4 N -ATOM 1612 CE1 HIS A 181 49.400 -11.491 30.693 1.00 0.00 A4 C -ATOM 1613 C HIS A 181 47.256 -7.808 34.488 1.00 0.00 A4 C -ATOM 1614 O HIS A 181 46.397 -8.532 34.976 1.00 0.00 A4 O -ATOM 1615 N SER A 182 47.595 -6.593 34.972 1.00 0.00 A4 N -ATOM 1616 H SER A 182 48.287 -6.035 34.516 0.00 0.00 A4 H -ATOM 1617 CA SER A 182 46.875 -6.066 36.132 1.00 0.00 A4 C -ATOM 1618 CB SER A 182 47.712 -4.991 36.835 1.00 0.00 A4 C -ATOM 1619 OG SER A 182 47.781 -3.811 36.026 1.00 0.00 A4 O -ATOM 1620 HG SER A 182 48.311 -3.183 36.498 0.00 0.00 A4 H -ATOM 1621 C SER A 182 45.462 -5.558 35.863 1.00 0.00 A4 C -ATOM 1622 O SER A 182 44.720 -5.255 36.789 1.00 0.00 A4 O -ATOM 1623 N LEU A 183 45.131 -5.474 34.553 1.00 0.00 A4 N -ATOM 1624 H LEU A 183 45.753 -5.840 33.863 0.00 0.00 A4 H -ATOM 1625 CA LEU A 183 43.815 -4.952 34.169 1.00 0.00 A4 C -ATOM 1626 CB LEU A 183 43.872 -4.065 32.920 1.00 0.00 A4 C -ATOM 1627 CG LEU A 183 44.723 -2.802 33.050 1.00 0.00 A4 C -ATOM 1628 CD1 LEU A 183 44.351 -1.791 31.973 1.00 0.00 A4 C -ATOM 1629 CD2 LEU A 183 44.613 -2.140 34.421 1.00 0.00 A4 C -ATOM 1630 C LEU A 183 42.724 -5.979 33.952 1.00 0.00 A4 C -ATOM 1631 O LEU A 183 41.611 -5.631 33.576 1.00 0.00 A4 O -ATOM 1632 N TYR A 184 43.082 -7.254 34.200 1.00 0.00 A4 N -ATOM 1633 H TYR A 184 44.014 -7.513 34.449 0.00 0.00 A4 H -ATOM 1634 CA TYR A 184 42.052 -8.277 34.067 1.00 0.00 A4 C -ATOM 1635 CB TYR A 184 41.890 -8.718 32.600 1.00 0.00 A4 C -ATOM 1636 CG TYR A 184 43.052 -9.552 32.110 1.00 0.00 A4 C -ATOM 1637 CD1 TYR A 184 44.214 -8.917 31.627 1.00 0.00 A4 C -ATOM 1638 CE1 TYR A 184 45.274 -9.708 31.157 1.00 0.00 A4 C -ATOM 1639 CD2 TYR A 184 42.928 -10.956 32.146 1.00 0.00 A4 C -ATOM 1640 CE2 TYR A 184 43.987 -11.746 31.679 1.00 0.00 A4 C -ATOM 1641 CZ TYR A 184 45.144 -11.111 31.187 1.00 0.00 A4 C -ATOM 1642 OH TYR A 184 46.180 -11.889 30.716 1.00 0.00 A4 O -ATOM 1643 HH TYR A 184 45.961 -12.806 30.814 0.00 0.00 A4 H -ATOM 1644 C TYR A 184 42.263 -9.457 34.993 1.00 0.00 A4 C -ATOM 1645 O TYR A 184 43.346 -9.695 35.513 1.00 0.00 A4 O -ATOM 1646 N THR A 185 41.148 -10.189 35.152 1.00 0.00 A4 N -ATOM 1647 H THR A 185 40.301 -9.907 34.710 0.00 0.00 A4 H -ATOM 1648 CA THR A 185 41.168 -11.430 35.914 1.00 0.00 A4 C -ATOM 1649 CB THR A 185 40.279 -11.310 37.158 1.00 0.00 A4 C -ATOM 1650 OG1 THR A 185 38.911 -11.112 36.785 1.00 0.00 A4 O -ATOM 1651 HG1 THR A 185 38.410 -11.122 37.589 0.00 0.00 A4 H -ATOM 1652 CG2 THR A 185 40.745 -10.185 38.086 1.00 0.00 A4 C -ATOM 1653 C THR A 185 40.720 -12.589 35.047 1.00 0.00 A4 C -ATOM 1654 O THR A 185 40.017 -12.419 34.057 1.00 0.00 A4 O -ATOM 1655 N GLY A 186 41.174 -13.782 35.475 1.00 0.00 A4 N -ATOM 1656 H GLY A 186 41.770 -13.826 36.276 0.00 0.00 A4 H -ATOM 1657 CA GLY A 186 40.830 -14.984 34.716 1.00 0.00 A4 C -ATOM 1658 C GLY A 186 41.616 -15.129 33.427 1.00 0.00 A4 C -ATOM 1659 O GLY A 186 42.689 -14.564 33.252 1.00 0.00 A4 O -ATOM 1660 N SER A 187 41.008 -15.922 32.526 1.00 0.00 A4 N -ATOM 1661 H SER A 187 40.127 -16.345 32.738 0.00 0.00 A4 H -ATOM 1662 CA SER A 187 41.665 -16.144 31.239 1.00 0.00 A4 C -ATOM 1663 CB SER A 187 41.518 -17.610 30.824 1.00 0.00 A4 C -ATOM 1664 OG SER A 187 42.027 -18.459 31.857 1.00 0.00 A4 O -ATOM 1665 HG SER A 187 41.865 -19.351 31.580 0.00 0.00 A4 H -ATOM 1666 C SER A 187 41.172 -15.241 30.124 1.00 0.00 A4 C -ATOM 1667 O SER A 187 40.016 -14.839 30.072 1.00 0.00 A4 O -ATOM 1668 N LEU A 188 42.128 -14.975 29.209 1.00 0.00 A4 N -ATOM 1669 H LEU A 188 43.060 -15.299 29.370 0.00 0.00 A4 H -ATOM 1670 CA LEU A 188 41.764 -14.371 27.926 1.00 0.00 A4 C -ATOM 1671 CB LEU A 188 42.959 -13.639 27.313 1.00 0.00 A4 C -ATOM 1672 CG LEU A 188 43.198 -12.214 27.815 1.00 0.00 A4 C -ATOM 1673 CD1 LEU A 188 44.618 -11.747 27.498 1.00 0.00 A4 C -ATOM 1674 CD2 LEU A 188 42.165 -11.231 27.258 1.00 0.00 A4 C -ATOM 1675 C LEU A 188 41.263 -15.406 26.937 1.00 0.00 A4 C -ATOM 1676 O LEU A 188 41.862 -16.455 26.731 1.00 0.00 A4 O -ATOM 1677 N TRP A 189 40.119 -15.039 26.335 1.00 0.00 A4 N -ATOM 1678 H TRP A 189 39.702 -14.166 26.581 0.00 0.00 A4 H -ATOM 1679 CA TRP A 189 39.509 -15.910 25.333 1.00 0.00 A4 C -ATOM 1680 CB TRP A 189 38.102 -16.312 25.764 1.00 0.00 A4 C -ATOM 1681 CG TRP A 189 38.149 -17.341 26.865 1.00 0.00 A4 C -ATOM 1682 CD2 TRP A 189 38.244 -18.773 26.720 1.00 0.00 A4 C -ATOM 1683 CE2 TRP A 189 38.262 -19.332 28.041 1.00 0.00 A4 C -ATOM 1684 CE3 TRP A 189 38.315 -19.619 25.592 1.00 0.00 A4 C -ATOM 1685 CD1 TRP A 189 38.112 -17.110 28.248 1.00 0.00 A4 C -ATOM 1686 NE1 TRP A 189 38.176 -18.277 28.945 1.00 0.00 A4 N -ATOM 1687 HE1 TRP A 189 38.163 -18.357 29.921 0.00 0.00 A4 H -ATOM 1688 CZ2 TRP A 189 38.357 -20.729 28.208 1.00 0.00 A4 C -ATOM 1689 CZ3 TRP A 189 38.407 -21.015 25.773 1.00 0.00 A4 C -ATOM 1690 CH2 TRP A 189 38.431 -21.565 27.073 1.00 0.00 A4 C -ATOM 1691 C TRP A 189 39.450 -15.254 23.973 1.00 0.00 A4 C -ATOM 1692 O TRP A 189 38.904 -14.172 23.804 1.00 0.00 A4 O -ATOM 1693 N TYR A 190 40.054 -15.964 23.005 1.00 0.00 A4 N -ATOM 1694 H TYR A 190 40.398 -16.886 23.180 0.00 0.00 A4 H -ATOM 1695 CA TYR A 190 40.189 -15.320 21.702 1.00 0.00 A4 C -ATOM 1696 CB TYR A 190 41.622 -15.433 21.176 1.00 0.00 A4 C -ATOM 1697 CG TYR A 190 42.622 -14.659 22.008 1.00 0.00 A4 C -ATOM 1698 CD1 TYR A 190 43.256 -15.285 23.102 1.00 0.00 A4 C -ATOM 1699 CE1 TYR A 190 44.233 -14.574 23.821 1.00 0.00 A4 C -ATOM 1700 CD2 TYR A 190 42.920 -13.332 21.641 1.00 0.00 A4 C -ATOM 1701 CE2 TYR A 190 43.899 -12.623 22.355 1.00 0.00 A4 C -ATOM 1702 CZ TYR A 190 44.550 -13.257 23.432 1.00 0.00 A4 C -ATOM 1703 OH TYR A 190 45.527 -12.571 24.125 1.00 0.00 A4 O -ATOM 1704 HH TYR A 190 45.661 -11.715 23.739 0.00 0.00 A4 H -ATOM 1705 C TYR A 190 39.217 -15.809 20.645 1.00 0.00 A4 C -ATOM 1706 O TYR A 190 38.860 -16.978 20.557 1.00 0.00 A4 O -ATOM 1707 N THR A 191 38.831 -14.810 19.833 1.00 0.00 A4 N -ATOM 1708 H THR A 191 39.158 -13.888 20.030 0.00 0.00 A4 H -ATOM 1709 CA THR A 191 38.006 -15.040 18.651 1.00 0.00 A4 C -ATOM 1710 CB THR A 191 36.626 -14.375 18.837 1.00 0.00 A4 C -ATOM 1711 OG1 THR A 191 35.757 -14.711 17.751 1.00 0.00 A4 O -ATOM 1712 HG1 THR A 191 34.894 -14.397 17.987 0.00 0.00 A4 H -ATOM 1713 CG2 THR A 191 36.681 -12.857 19.030 1.00 0.00 A4 C -ATOM 1714 C THR A 191 38.725 -14.513 17.421 1.00 0.00 A4 C -ATOM 1715 O THR A 191 39.320 -13.448 17.458 1.00 0.00 A4 O -ATOM 1716 N PRO A 192 38.686 -15.288 16.312 1.00 0.00 A4 N -ATOM 1717 CD PRO A 192 38.088 -16.607 16.153 1.00 0.00 A4 C -ATOM 1718 CA PRO A 192 39.358 -14.819 15.095 1.00 0.00 A4 C -ATOM 1719 CB PRO A 192 39.170 -15.986 14.120 1.00 0.00 A4 C -ATOM 1720 CG PRO A 192 38.859 -17.206 14.985 1.00 0.00 A4 C -ATOM 1721 C PRO A 192 38.798 -13.520 14.536 1.00 0.00 A4 C -ATOM 1722 O PRO A 192 37.596 -13.280 14.535 1.00 0.00 A4 O -ATOM 1723 N ILE A 193 39.749 -12.711 14.028 1.00 0.00 A4 N -ATOM 1724 H ILE A 193 40.711 -12.959 14.123 0.00 0.00 A4 H -ATOM 1725 CA ILE A 193 39.336 -11.651 13.112 1.00 0.00 A4 C -ATOM 1726 CB ILE A 193 40.374 -10.516 13.038 1.00 0.00 A4 C -ATOM 1727 CG2 ILE A 193 39.932 -9.405 12.077 1.00 0.00 A4 C -ATOM 1728 CG1 ILE A 193 40.674 -9.946 14.425 1.00 0.00 A4 C -ATOM 1729 CD1 ILE A 193 41.820 -8.930 14.424 1.00 0.00 A4 C -ATOM 1730 C ILE A 193 39.109 -12.256 11.742 1.00 0.00 A4 C -ATOM 1731 O ILE A 193 40.031 -12.703 11.070 1.00 0.00 A4 O -ATOM 1732 N ARG A 194 37.809 -12.262 11.385 1.00 0.00 A4 N -ATOM 1733 H ARG A 194 37.137 -11.859 12.003 0.00 0.00 A4 H -ATOM 1734 CA ARG A 194 37.377 -12.871 10.128 1.00 0.00 A4 C -ATOM 1735 CB ARG A 194 35.852 -12.788 10.017 1.00 0.00 A4 C -ATOM 1736 CG ARG A 194 35.315 -13.655 8.878 1.00 0.00 A4 C -ATOM 1737 CD ARG A 194 33.819 -13.487 8.636 1.00 0.00 A4 C -ATOM 1738 NE ARG A 194 33.365 -14.423 7.611 1.00 0.00 A4 N -ATOM 1739 HE ARG A 194 33.839 -15.293 7.475 0.00 0.00 A4 H -ATOM 1740 CZ ARG A 194 32.258 -14.169 6.887 1.00 0.00 A4 C -ATOM 1741 NH1 ARG A 194 31.578 -13.031 7.031 1.00 0.00 A4 N -ATOM 1742 HH11 ARG A 194 30.756 -12.874 6.484 0.00 0.00 A4 H -ATOM 1743 HH12 ARG A 194 31.882 -12.331 7.678 0.00 0.00 A4 H -ATOM 1744 NH2 ARG A 194 31.839 -15.077 6.010 1.00 0.00 A4 N -ATOM 1745 HH21 ARG A 194 31.017 -14.903 5.468 0.00 0.00 A4 H -ATOM 1746 HH22 ARG A 194 32.343 -15.932 5.893 0.00 0.00 A4 H -ATOM 1747 C ARG A 194 38.039 -12.273 8.897 1.00 0.00 A4 C -ATOM 1748 O ARG A 194 38.533 -12.968 8.018 1.00 0.00 A4 O -ATOM 1749 N ARG A 195 38.031 -10.928 8.916 1.00 0.00 A4 N -ATOM 1750 H ARG A 195 37.587 -10.452 9.675 0.00 0.00 A4 H -ATOM 1751 CA ARG A 195 38.617 -10.158 7.826 1.00 0.00 A4 C -ATOM 1752 CB ARG A 195 37.565 -9.991 6.721 1.00 0.00 A4 C -ATOM 1753 CG ARG A 195 37.938 -9.084 5.545 1.00 0.00 A4 C -ATOM 1754 CD ARG A 195 36.760 -8.943 4.586 1.00 0.00 A4 C -ATOM 1755 NE ARG A 195 36.856 -7.728 3.779 1.00 0.00 A4 N -ATOM 1756 HE ARG A 195 37.722 -7.238 3.672 0.00 0.00 A4 H -ATOM 1757 CZ ARG A 195 35.750 -7.265 3.157 1.00 0.00 A4 C -ATOM 1758 NH1 ARG A 195 34.578 -7.895 3.260 1.00 0.00 A4 N -ATOM 1759 HH11 ARG A 195 33.780 -7.531 2.782 0.00 0.00 A4 H -ATOM 1760 HH12 ARG A 195 34.486 -8.726 3.809 0.00 0.00 A4 H -ATOM 1761 NH2 ARG A 195 35.824 -6.157 2.427 1.00 0.00 A4 N -ATOM 1762 HH21 ARG A 195 35.010 -5.820 1.954 0.00 0.00 A4 H -ATOM 1763 HH22 ARG A 195 36.688 -5.659 2.350 0.00 0.00 A4 H -ATOM 1764 C ARG A 195 39.115 -8.831 8.363 1.00 0.00 A4 C -ATOM 1765 O ARG A 195 38.512 -8.225 9.241 1.00 0.00 A4 O -ATOM 1766 N GLU A 196 40.266 -8.425 7.798 1.00 0.00 A4 N -ATOM 1767 H GLU A 196 40.684 -8.970 7.070 0.00 0.00 A4 H -ATOM 1768 CA GLU A 196 40.895 -7.186 8.244 1.00 0.00 A4 C -ATOM 1769 CB GLU A 196 42.409 -7.342 8.126 1.00 0.00 A4 C -ATOM 1770 CG GLU A 196 42.914 -8.501 8.990 1.00 0.00 A4 C -ATOM 1771 CD GLU A 196 44.307 -8.895 8.550 1.00 0.00 A4 C -ATOM 1772 OE1 GLU A 196 44.441 -9.429 7.449 1.00 0.00 A4 O -ATOM 1773 OE2 GLU A 196 45.248 -8.680 9.311 1.00 0.00 A4 O -ATOM 1774 C GLU A 196 40.391 -5.940 7.534 1.00 0.00 A4 C -ATOM 1775 O GLU A 196 41.004 -5.419 6.610 1.00 0.00 A4 O -ATOM 1776 N TRP A 197 39.234 -5.484 8.052 1.00 0.00 A4 N -ATOM 1777 H TRP A 197 38.790 -6.019 8.772 0.00 0.00 A4 H -ATOM 1778 CA TRP A 197 38.630 -4.234 7.586 1.00 0.00 A4 C -ATOM 1779 CB TRP A 197 37.664 -4.460 6.395 1.00 0.00 A4 C -ATOM 1780 CG TRP A 197 36.480 -5.375 6.652 1.00 0.00 A4 C -ATOM 1781 CD2 TRP A 197 35.162 -5.270 6.074 1.00 0.00 A4 C -ATOM 1782 CE2 TRP A 197 34.373 -6.346 6.604 1.00 0.00 A4 C -ATOM 1783 CE3 TRP A 197 34.587 -4.363 5.158 1.00 0.00 A4 C -ATOM 1784 CD1 TRP A 197 36.411 -6.499 7.491 1.00 0.00 A4 C -ATOM 1785 NE1 TRP A 197 35.182 -7.070 7.468 1.00 0.00 A4 N -ATOM 1786 HE1 TRP A 197 34.918 -7.861 7.979 0.00 0.00 A4 H -ATOM 1787 CZ2 TRP A 197 33.028 -6.495 6.207 1.00 0.00 A4 C -ATOM 1788 CZ3 TRP A 197 33.240 -4.522 4.769 1.00 0.00 A4 C -ATOM 1789 CH2 TRP A 197 32.466 -5.582 5.290 1.00 0.00 A4 C -ATOM 1790 C TRP A 197 38.070 -3.413 8.742 1.00 0.00 A4 C -ATOM 1791 O TRP A 197 38.744 -2.534 9.260 1.00 0.00 A4 O -ATOM 1792 N TYR A 198 36.853 -3.791 9.184 1.00 0.00 A4 N -ATOM 1793 H TYR A 198 36.251 -4.373 8.644 0.00 0.00 A4 H -ATOM 1794 CA TYR A 198 36.489 -3.585 10.581 1.00 0.00 A4 C -ATOM 1795 CB TYR A 198 34.975 -3.716 10.759 1.00 0.00 A4 C -ATOM 1796 CG TYR A 198 34.158 -2.778 9.898 1.00 0.00 A4 C -ATOM 1797 CD1 TYR A 198 33.809 -1.512 10.409 1.00 0.00 A4 C -ATOM 1798 CE1 TYR A 198 32.998 -0.664 9.637 1.00 0.00 A4 C -ATOM 1799 CD2 TYR A 198 33.737 -3.207 8.622 1.00 0.00 A4 C -ATOM 1800 CE2 TYR A 198 32.931 -2.357 7.847 1.00 0.00 A4 C -ATOM 1801 CZ TYR A 198 32.561 -1.102 8.370 1.00 0.00 A4 C -ATOM 1802 OH TYR A 198 31.744 -0.276 7.624 1.00 0.00 A4 O -ATOM 1803 HH TYR A 198 31.452 -0.729 6.844 0.00 0.00 A4 H -ATOM 1804 C TYR A 198 37.148 -4.676 11.414 1.00 0.00 A4 C -ATOM 1805 O TYR A 198 37.796 -5.572 10.885 1.00 0.00 A4 O -ATOM 1806 N TYR A 199 36.919 -4.593 12.738 1.00 0.00 A4 N -ATOM 1807 H TYR A 199 36.426 -3.821 13.138 0.00 0.00 A4 H -ATOM 1808 CA TYR A 199 37.274 -5.768 13.534 1.00 0.00 A4 C -ATOM 1809 CB TYR A 199 37.701 -5.356 14.945 1.00 0.00 A4 C -ATOM 1810 CG TYR A 199 39.045 -4.661 14.926 1.00 0.00 A4 C -ATOM 1811 CD1 TYR A 199 39.086 -3.259 15.063 1.00 0.00 A4 C -ATOM 1812 CE1 TYR A 199 40.331 -2.612 15.087 1.00 0.00 A4 C -ATOM 1813 CD2 TYR A 199 40.220 -5.430 14.791 1.00 0.00 A4 C -ATOM 1814 CE2 TYR A 199 41.467 -4.782 14.815 1.00 0.00 A4 C -ATOM 1815 CZ TYR A 199 41.505 -3.381 14.966 1.00 0.00 A4 C -ATOM 1816 OH TYR A 199 42.723 -2.734 14.998 1.00 0.00 A4 O -ATOM 1817 HH TYR A 199 43.418 -3.334 14.767 0.00 0.00 A4 H -ATOM 1818 C TYR A 199 36.156 -6.798 13.566 1.00 0.00 A4 C -ATOM 1819 O TYR A 199 35.416 -6.930 14.534 1.00 0.00 A4 O -ATOM 1820 N GLU A 200 36.070 -7.516 12.424 1.00 0.00 A4 N -ATOM 1821 H GLU A 200 36.777 -7.410 11.725 0.00 0.00 A4 H -ATOM 1822 CA GLU A 200 34.975 -8.467 12.242 1.00 0.00 A4 C -ATOM 1823 CB GLU A 200 34.722 -8.733 10.748 1.00 0.00 A4 C -ATOM 1824 CG GLU A 200 33.365 -9.412 10.485 1.00 0.00 A4 C -ATOM 1825 CD GLU A 200 33.173 -9.887 9.052 1.00 0.00 A4 C -ATOM 1826 OE1 GLU A 200 34.087 -9.774 8.236 1.00 0.00 A4 O -ATOM 1827 OE2 GLU A 200 32.092 -10.397 8.761 1.00 0.00 A4 O -ATOM 1828 C GLU A 200 35.186 -9.769 12.991 1.00 0.00 A4 C -ATOM 1829 O GLU A 200 36.268 -10.337 13.004 1.00 0.00 A4 O -ATOM 1830 N VAL A 201 34.077 -10.199 13.623 1.00 0.00 A4 N -ATOM 1831 H VAL A 201 33.267 -9.621 13.605 0.00 0.00 A4 H -ATOM 1832 CA VAL A 201 34.017 -11.474 14.332 1.00 0.00 A4 C -ATOM 1833 CB VAL A 201 34.061 -11.252 15.854 1.00 0.00 A4 C -ATOM 1834 CG1 VAL A 201 35.391 -10.628 16.279 1.00 0.00 A4 C -ATOM 1835 CG2 VAL A 201 32.865 -10.437 16.362 1.00 0.00 A4 C -ATOM 1836 C VAL A 201 32.773 -12.259 13.942 1.00 0.00 A4 C -ATOM 1837 O VAL A 201 31.901 -11.772 13.230 1.00 0.00 A4 O -ATOM 1838 N ILE A 202 32.735 -13.504 14.460 1.00 0.00 A4 N -ATOM 1839 H ILE A 202 33.510 -13.841 14.994 0.00 0.00 A4 H -ATOM 1840 CA ILE A 202 31.553 -14.337 14.237 1.00 0.00 A4 C -ATOM 1841 CB ILE A 202 31.906 -15.548 13.352 1.00 0.00 A4 C -ATOM 1842 CG2 ILE A 202 30.716 -16.493 13.153 1.00 0.00 A4 C -ATOM 1843 CG1 ILE A 202 32.466 -15.094 11.999 1.00 0.00 A4 C -ATOM 1844 CD1 ILE A 202 32.892 -16.254 11.096 1.00 0.00 A4 C -ATOM 1845 C ILE A 202 30.894 -14.773 15.538 1.00 0.00 A4 C -ATOM 1846 O ILE A 202 31.501 -15.395 16.400 1.00 0.00 A4 O -ATOM 1847 N ILE A 203 29.596 -14.417 15.611 1.00 0.00 A4 N -ATOM 1848 H ILE A 203 29.207 -13.891 14.859 0.00 0.00 A4 H -ATOM 1849 CA ILE A 203 28.740 -14.885 16.701 1.00 0.00 A4 C -ATOM 1850 CB ILE A 203 27.727 -13.797 17.093 1.00 0.00 A4 C -ATOM 1851 CG2 ILE A 203 26.874 -14.214 18.299 1.00 0.00 A4 C -ATOM 1852 CG1 ILE A 203 28.425 -12.454 17.323 1.00 0.00 A4 C -ATOM 1853 CD1 ILE A 203 27.447 -11.312 17.595 1.00 0.00 A4 C -ATOM 1854 C ILE A 203 28.021 -16.172 16.332 1.00 0.00 A4 C -ATOM 1855 O ILE A 203 27.304 -16.259 15.343 1.00 0.00 A4 O -ATOM 1856 N VAL A 204 28.266 -17.180 17.185 1.00 0.00 A4 N -ATOM 1857 H VAL A 204 28.827 -17.033 17.997 0.00 0.00 A4 H -ATOM 1858 CA VAL A 204 27.723 -18.501 16.883 1.00 0.00 A4 C -ATOM 1859 CB VAL A 204 28.836 -19.550 17.017 1.00 0.00 A4 C -ATOM 1860 CG1 VAL A 204 29.989 -19.211 16.070 1.00 0.00 A4 C -ATOM 1861 CG2 VAL A 204 29.335 -19.700 18.457 1.00 0.00 A4 C -ATOM 1862 C VAL A 204 26.461 -18.905 17.640 1.00 0.00 A4 C -ATOM 1863 O VAL A 204 25.807 -19.879 17.284 1.00 0.00 A4 O -ATOM 1864 N ARG A 205 26.148 -18.110 18.691 1.00 0.00 A4 N -ATOM 1865 H ARG A 205 26.731 -17.327 18.911 0.00 0.00 A4 H -ATOM 1866 CA ARG A 205 24.994 -18.413 19.546 1.00 0.00 A4 C -ATOM 1867 CB ARG A 205 25.308 -19.630 20.430 1.00 0.00 A4 C -ATOM 1868 CG ARG A 205 24.164 -20.186 21.286 1.00 0.00 A4 C -ATOM 1869 CD ARG A 205 24.611 -21.393 22.114 1.00 0.00 A4 C -ATOM 1870 NE ARG A 205 25.129 -22.446 21.242 1.00 0.00 A4 N -ATOM 1871 HE ARG A 205 24.982 -22.400 20.254 0.00 0.00 A4 H -ATOM 1872 CZ ARG A 205 25.794 -23.510 21.737 1.00 0.00 A4 C -ATOM 1873 NH1 ARG A 205 26.011 -23.657 23.044 1.00 0.00 A4 N -ATOM 1874 HH11 ARG A 205 26.502 -24.464 23.372 0.00 0.00 A4 H -ATOM 1875 HH12 ARG A 205 25.688 -22.975 23.700 0.00 0.00 A4 H -ATOM 1876 NH2 ARG A 205 26.240 -24.433 20.890 1.00 0.00 A4 N -ATOM 1877 HH21 ARG A 205 26.730 -25.233 21.233 0.00 0.00 A4 H -ATOM 1878 HH22 ARG A 205 26.084 -24.326 19.907 0.00 0.00 A4 H -ATOM 1879 C ARG A 205 24.627 -17.213 20.402 1.00 0.00 A4 C -ATOM 1880 O ARG A 205 25.488 -16.461 20.835 1.00 0.00 A4 O -ATOM 1881 N VAL A 206 23.307 -17.066 20.634 1.00 0.00 A4 N -ATOM 1882 H VAL A 206 22.650 -17.687 20.207 0.00 0.00 A4 H -ATOM 1883 CA VAL A 206 22.873 -16.049 21.594 1.00 0.00 A4 C -ATOM 1884 CB VAL A 206 22.258 -14.817 20.894 1.00 0.00 A4 C -ATOM 1885 CG1 VAL A 206 21.849 -13.726 21.892 1.00 0.00 A4 C -ATOM 1886 CG2 VAL A 206 23.192 -14.220 19.840 1.00 0.00 A4 C -ATOM 1887 C VAL A 206 21.886 -16.654 22.578 1.00 0.00 A4 C -ATOM 1888 O VAL A 206 20.982 -17.385 22.199 1.00 0.00 A4 O -ATOM 1889 N GLU A 207 22.110 -16.309 23.861 1.00 0.00 A4 N -ATOM 1890 H GLU A 207 22.896 -15.741 24.096 0.00 0.00 A4 H -ATOM 1891 CA GLU A 207 21.158 -16.701 24.896 1.00 0.00 A4 C -ATOM 1892 CB GLU A 207 21.759 -17.753 25.830 1.00 0.00 A4 C -ATOM 1893 CG GLU A 207 22.235 -19.025 25.119 1.00 0.00 A4 C -ATOM 1894 CD GLU A 207 22.781 -20.030 26.118 1.00 0.00 A4 C -ATOM 1895 OE1 GLU A 207 23.444 -19.627 27.074 1.00 0.00 A4 O -ATOM 1896 OE2 GLU A 207 22.540 -21.221 25.931 1.00 0.00 A4 O -ATOM 1897 C GLU A 207 20.712 -15.499 25.702 1.00 0.00 A4 C -ATOM 1898 O GLU A 207 21.435 -14.523 25.844 1.00 0.00 A4 O -ATOM 1899 N ILE A 208 19.476 -15.613 26.222 1.00 0.00 A4 N -ATOM 1900 H ILE A 208 18.912 -16.405 26.001 0.00 0.00 A4 H -ATOM 1901 CA ILE A 208 18.951 -14.583 27.116 1.00 0.00 A4 C -ATOM 1902 CB ILE A 208 17.930 -13.692 26.379 1.00 0.00 A4 C -ATOM 1903 CG2 ILE A 208 17.302 -12.661 27.315 1.00 0.00 A4 C -ATOM 1904 CG1 ILE A 208 18.560 -12.995 25.166 1.00 0.00 A4 C -ATOM 1905 CD1 ILE A 208 17.589 -12.103 24.393 1.00 0.00 A4 C -ATOM 1906 C ILE A 208 18.340 -15.254 28.335 1.00 0.00 A4 C -ATOM 1907 O ILE A 208 17.339 -15.953 28.238 1.00 0.00 A4 O -ATOM 1908 N ASN A 209 19.035 -15.037 29.478 1.00 0.00 A4 N -ATOM 1909 H ASN A 209 19.799 -14.395 29.459 0.00 0.00 A4 H -ATOM 1910 CA ASN A 209 18.771 -15.787 30.715 1.00 0.00 A4 C -ATOM 1911 CB ASN A 209 17.424 -15.415 31.352 1.00 0.00 A4 C -ATOM 1912 CG ASN A 209 17.579 -14.273 32.338 1.00 0.00 A4 C -ATOM 1913 OD1 ASN A 209 18.672 -13.864 32.711 1.00 0.00 A4 O -ATOM 1914 ND2 ASN A 209 16.398 -13.776 32.747 1.00 0.00 A4 N -ATOM 1915 HD21 ASN A 209 15.538 -14.170 32.422 0.00 0.00 A4 H -ATOM 1916 HD22 ASN A 209 16.362 -13.001 33.377 0.00 0.00 A4 H -ATOM 1917 C ASN A 209 18.901 -17.297 30.584 1.00 0.00 A4 C -ATOM 1918 O ASN A 209 18.118 -18.064 31.131 1.00 0.00 A4 O -ATOM 1919 N GLY A 210 19.939 -17.681 29.810 1.00 0.00 A4 N -ATOM 1920 H GLY A 210 20.521 -16.993 29.377 0.00 0.00 A4 H -ATOM 1921 CA GLY A 210 20.166 -19.106 29.566 1.00 0.00 A4 C -ATOM 1922 C GLY A 210 19.312 -19.748 28.481 1.00 0.00 A4 C -ATOM 1923 O GLY A 210 19.411 -20.943 28.228 1.00 0.00 A4 O -ATOM 1924 N GLN A 211 18.462 -18.907 27.857 1.00 0.00 A4 N -ATOM 1925 H GLN A 211 18.443 -17.934 28.090 0.00 0.00 A4 H -ATOM 1926 CA GLN A 211 17.574 -19.433 26.823 1.00 0.00 A4 C -ATOM 1927 CB GLN A 211 16.172 -18.845 27.006 1.00 0.00 A4 C -ATOM 1928 CG GLN A 211 15.066 -19.560 26.219 1.00 0.00 A4 C -ATOM 1929 CD GLN A 211 14.103 -20.358 27.097 1.00 0.00 A4 C -ATOM 1930 OE1 GLN A 211 13.132 -20.911 26.594 1.00 0.00 A4 O -ATOM 1931 NE2 GLN A 211 14.372 -20.395 28.421 1.00 0.00 A4 N -ATOM 1932 HE21 GLN A 211 15.163 -19.975 28.865 0.00 0.00 A4 H -ATOM 1933 HE22 GLN A 211 13.736 -20.879 29.022 0.00 0.00 A4 H -ATOM 1934 C GLN A 211 18.077 -19.133 25.427 1.00 0.00 A4 C -ATOM 1935 O GLN A 211 18.234 -17.983 25.043 1.00 0.00 A4 O -ATOM 1936 N ASP A 212 18.294 -20.225 24.667 1.00 0.00 A4 N -ATOM 1937 H ASP A 212 18.134 -21.139 25.040 0.00 0.00 A4 H -ATOM 1938 CA ASP A 212 18.714 -20.045 23.275 1.00 0.00 A4 C -ATOM 1939 CB ASP A 212 18.996 -21.426 22.662 1.00 0.00 A4 C -ATOM 1940 CG ASP A 212 20.102 -21.406 21.615 1.00 0.00 A4 C -ATOM 1941 OD1 ASP A 212 20.152 -20.488 20.797 1.00 0.00 A4 O -ATOM 1942 OD2 ASP A 212 20.913 -22.330 21.619 1.00 0.00 A4 O -ATOM 1943 C ASP A 212 17.680 -19.281 22.457 1.00 0.00 A4 C -ATOM 1944 O ASP A 212 16.495 -19.590 22.493 1.00 0.00 A4 O -ATOM 1945 N LEU A 213 18.187 -18.265 21.723 1.00 0.00 A4 N -ATOM 1946 H LEU A 213 19.168 -18.083 21.730 0.00 0.00 A4 H -ATOM 1947 CA LEU A 213 17.304 -17.531 20.811 1.00 0.00 A4 C -ATOM 1948 CB LEU A 213 17.977 -16.283 20.228 1.00 0.00 A4 C -ATOM 1949 CG LEU A 213 17.938 -15.026 21.101 1.00 0.00 A4 C -ATOM 1950 CD1 LEU A 213 18.408 -13.806 20.305 1.00 0.00 A4 C -ATOM 1951 CD2 LEU A 213 16.557 -14.774 21.710 1.00 0.00 A4 C -ATOM 1952 C LEU A 213 16.771 -18.362 19.660 1.00 0.00 A4 C -ATOM 1953 O LEU A 213 15.745 -18.046 19.070 1.00 0.00 A4 O -ATOM 1954 N LYS A 214 17.530 -19.449 19.385 1.00 0.00 A4 N -ATOM 1955 H LYS A 214 18.356 -19.607 19.925 0.00 0.00 A4 H -ATOM 1956 CA LYS A 214 17.173 -20.422 18.354 1.00 0.00 A4 C -ATOM 1957 CB LYS A 214 15.983 -21.282 18.773 1.00 0.00 A4 C -ATOM 1958 CG LYS A 214 16.420 -22.426 19.677 1.00 0.00 A4 C -ATOM 1959 CD LYS A 214 15.295 -23.439 19.865 1.00 0.00 A4 C -ATOM 1960 CE LYS A 214 15.826 -24.796 20.323 1.00 0.00 A4 C -ATOM 1961 NZ LYS A 214 16.769 -25.299 19.312 1.00 0.00 A4 N -ATOM 1962 HZ1 LYS A 214 17.072 -26.261 19.563 0.00 0.00 A4 H -ATOM 1963 HZ2 LYS A 214 16.309 -25.310 18.379 0.00 0.00 A4 H -ATOM 1964 HZ3 LYS A 214 17.599 -24.673 19.275 0.00 0.00 A4 H -ATOM 1965 C LYS A 214 16.970 -19.866 16.966 1.00 0.00 A4 C -ATOM 1966 O LYS A 214 16.042 -20.219 16.248 1.00 0.00 A4 O -ATOM 1967 N MET A 215 17.908 -18.970 16.624 1.00 0.00 A4 N -ATOM 1968 H MET A 215 18.642 -18.708 17.252 0.00 0.00 A4 H -ATOM 1969 CA MET A 215 17.890 -18.493 15.251 1.00 0.00 A4 C -ATOM 1970 CB MET A 215 18.063 -16.972 15.227 1.00 0.00 A4 C -ATOM 1971 CG MET A 215 17.012 -16.254 16.080 1.00 0.00 A4 C -ATOM 1972 SD MET A 215 17.170 -14.463 16.043 1.00 0.00 A4 S -ATOM 1973 CE MET A 215 16.815 -14.237 14.298 1.00 0.00 A4 C -ATOM 1974 C MET A 215 18.965 -19.189 14.450 1.00 0.00 A4 C -ATOM 1975 O MET A 215 19.861 -19.822 14.996 1.00 0.00 A4 O -ATOM 1976 N ASP A 216 18.852 -19.007 13.118 1.00 0.00 A4 N -ATOM 1977 H ASP A 216 18.052 -18.538 12.744 0.00 0.00 A4 H -ATOM 1978 CA ASP A 216 19.994 -19.333 12.264 1.00 0.00 A4 C -ATOM 1979 CB ASP A 216 19.582 -19.122 10.796 1.00 0.00 A4 C -ATOM 1980 CG ASP A 216 20.522 -19.764 9.783 1.00 0.00 A4 C -ATOM 1981 OD1 ASP A 216 21.737 -19.746 9.978 1.00 0.00 A4 O -ATOM 1982 OD2 ASP A 216 20.025 -20.275 8.781 1.00 0.00 A4 O -ATOM 1983 C ASP A 216 21.151 -18.431 12.659 1.00 0.00 A4 C -ATOM 1984 O ASP A 216 20.991 -17.223 12.752 1.00 0.00 A4 O -ATOM 1985 N CYS A 217 22.307 -19.068 12.931 1.00 0.00 A4 N -ATOM 1986 H CYS A 217 22.367 -20.065 12.884 0.00 0.00 A4 H -ATOM 1987 CA CYS A 217 23.434 -18.256 13.394 1.00 0.00 A4 C -ATOM 1988 CB CYS A 217 24.530 -19.145 13.983 1.00 0.00 A4 C -ATOM 1989 SG CYS A 217 25.318 -20.217 12.760 1.00 0.00 A4 S -ATOM 1990 C CYS A 217 24.002 -17.233 12.410 1.00 0.00 A4 C -ATOM 1991 O CYS A 217 24.729 -16.326 12.795 1.00 0.00 A4 O -ATOM 1992 N LYS A 218 23.589 -17.398 11.129 1.00 0.00 A4 N -ATOM 1993 H LYS A 218 23.042 -18.201 10.894 0.00 0.00 A4 H -ATOM 1994 CA LYS A 218 23.827 -16.367 10.112 1.00 0.00 A4 C -ATOM 1995 CB LYS A 218 23.409 -16.830 8.720 1.00 0.00 A4 C -ATOM 1996 CG LYS A 218 24.471 -17.624 7.973 1.00 0.00 A4 C -ATOM 1997 CD LYS A 218 24.076 -17.843 6.511 1.00 0.00 A4 C -ATOM 1998 CE LYS A 218 25.103 -18.649 5.712 1.00 0.00 A4 C -ATOM 1999 NZ LYS A 218 25.141 -20.032 6.207 1.00 0.00 A4 N -ATOM 2000 HZ1 LYS A 218 25.880 -20.563 5.703 0.00 0.00 A4 H -ATOM 2001 HZ2 LYS A 218 25.349 -20.030 7.225 0.00 0.00 A4 H -ATOM 2002 HZ3 LYS A 218 24.217 -20.482 6.050 0.00 0.00 A4 H -ATOM 2003 C LYS A 218 23.141 -15.037 10.352 1.00 0.00 A4 C -ATOM 2004 O LYS A 218 23.667 -13.987 10.005 1.00 0.00 A4 O -ATOM 2005 N GLU A 219 21.942 -15.137 10.967 1.00 0.00 A4 N -ATOM 2006 H GLU A 219 21.576 -16.044 11.168 0.00 0.00 A4 H -ATOM 2007 CA GLU A 219 21.187 -13.939 11.347 1.00 0.00 A4 C -ATOM 2008 CB GLU A 219 19.837 -14.311 11.967 1.00 0.00 A4 C -ATOM 2009 CG GLU A 219 18.911 -15.192 11.114 1.00 0.00 A4 C -ATOM 2010 CD GLU A 219 18.336 -14.470 9.904 1.00 0.00 A4 C -ATOM 2011 OE1 GLU A 219 18.333 -13.239 9.869 1.00 0.00 A4 O -ATOM 2012 OE2 GLU A 219 17.870 -15.157 8.997 1.00 0.00 A4 O -ATOM 2013 C GLU A 219 21.920 -13.015 12.304 1.00 0.00 A4 C -ATOM 2014 O GLU A 219 21.788 -11.799 12.243 1.00 0.00 A4 O -ATOM 2015 N TYR A 220 22.723 -13.665 13.177 1.00 0.00 A4 N -ATOM 2016 H TYR A 220 22.779 -14.664 13.157 0.00 0.00 A4 H -ATOM 2017 CA TYR A 220 23.560 -12.905 14.108 1.00 0.00 A4 C -ATOM 2018 CB TYR A 220 24.175 -13.820 15.179 1.00 0.00 A4 C -ATOM 2019 CG TYR A 220 23.156 -14.675 15.910 1.00 0.00 A4 C -ATOM 2020 CD1 TYR A 220 23.521 -15.997 16.238 1.00 0.00 A4 C -ATOM 2021 CE1 TYR A 220 22.606 -16.814 16.923 1.00 0.00 A4 C -ATOM 2022 CD2 TYR A 220 21.893 -14.151 16.260 1.00 0.00 A4 C -ATOM 2023 CE2 TYR A 220 20.975 -14.967 16.940 1.00 0.00 A4 C -ATOM 2024 CZ TYR A 220 21.345 -16.288 17.265 1.00 0.00 A4 C -ATOM 2025 OH TYR A 220 20.448 -17.092 17.940 1.00 0.00 A4 O -ATOM 2026 HH TYR A 220 19.646 -16.613 18.099 0.00 0.00 A4 H -ATOM 2027 C TYR A 220 24.670 -12.101 13.447 1.00 0.00 A4 C -ATOM 2028 O TYR A 220 25.156 -11.117 13.988 1.00 0.00 A4 O -ATOM 2029 N ASN A 221 25.041 -12.576 12.242 1.00 0.00 A4 N -ATOM 2030 H ASN A 221 24.605 -13.392 11.866 0.00 0.00 A4 H -ATOM 2031 CA ASN A 221 26.119 -11.918 11.505 1.00 0.00 A4 C -ATOM 2032 CB ASN A 221 27.311 -12.863 11.325 1.00 0.00 A4 C -ATOM 2033 CG ASN A 221 27.733 -13.441 12.656 1.00 0.00 A4 C -ATOM 2034 OD1 ASN A 221 28.308 -12.770 13.500 1.00 0.00 A4 O -ATOM 2035 ND2 ASN A 221 27.405 -14.734 12.791 1.00 0.00 A4 N -ATOM 2036 HD21 ASN A 221 26.909 -15.204 12.062 0.00 0.00 A4 H -ATOM 2037 HD22 ASN A 221 27.646 -15.243 13.615 0.00 0.00 A4 H -ATOM 2038 C ASN A 221 25.696 -11.395 10.145 1.00 0.00 A4 C -ATOM 2039 O ASN A 221 26.463 -11.428 9.192 1.00 0.00 A4 O -ATOM 2040 N TYR A 222 24.436 -10.920 10.097 1.00 0.00 A4 N -ATOM 2041 H TYR A 222 23.862 -10.938 10.915 0.00 0.00 A4 H -ATOM 2042 CA TYR A 222 23.924 -10.353 8.848 1.00 0.00 A4 C -ATOM 2043 CB TYR A 222 22.549 -10.985 8.566 1.00 0.00 A4 C -ATOM 2044 CG TYR A 222 21.841 -10.364 7.379 1.00 0.00 A4 C -ATOM 2045 CD1 TYR A 222 22.344 -10.571 6.078 1.00 0.00 A4 C -ATOM 2046 CE1 TYR A 222 21.672 -9.992 4.988 1.00 0.00 A4 C -ATOM 2047 CD2 TYR A 222 20.684 -9.594 7.616 1.00 0.00 A4 C -ATOM 2048 CE2 TYR A 222 20.012 -9.016 6.526 1.00 0.00 A4 C -ATOM 2049 CZ TYR A 222 20.515 -9.224 5.226 1.00 0.00 A4 C -ATOM 2050 OH TYR A 222 19.856 -8.660 4.152 1.00 0.00 A4 O -ATOM 2051 HH TYR A 222 19.090 -8.189 4.453 0.00 0.00 A4 H -ATOM 2052 C TYR A 222 23.854 -8.834 8.929 1.00 0.00 A4 C -ATOM 2053 O TYR A 222 23.032 -8.299 9.660 1.00 0.00 A4 O -ATOM 2054 N ASP A 223 24.728 -8.133 8.171 1.00 0.00 A4 N -ATOM 2055 H ASP A 223 24.724 -7.142 8.294 0.00 0.00 A4 H -ATOM 2056 CA ASP A 223 25.674 -8.704 7.208 1.00 0.00 A4 C -ATOM 2057 CB ASP A 223 25.672 -7.859 5.916 1.00 0.00 A4 C -ATOM 2058 CG ASP A 223 26.118 -6.402 6.085 1.00 0.00 A4 C -ATOM 2059 OD1 ASP A 223 26.364 -5.951 7.204 1.00 0.00 A4 O -ATOM 2060 OD2 ASP A 223 26.217 -5.714 5.071 1.00 0.00 A4 O -ATOM 2061 C ASP A 223 27.097 -8.956 7.703 1.00 0.00 A4 C -ATOM 2062 O ASP A 223 27.932 -9.487 6.980 1.00 0.00 A4 O -ATOM 2063 N LYS A 224 27.320 -8.551 8.973 1.00 0.00 A4 N -ATOM 2064 H LYS A 224 26.575 -8.121 9.483 0.00 0.00 A4 H -ATOM 2065 CA LYS A 224 28.617 -8.727 9.633 1.00 0.00 A4 C -ATOM 2066 CB LYS A 224 29.659 -7.748 9.069 1.00 0.00 A4 C -ATOM 2067 CG LYS A 224 29.222 -6.284 9.163 1.00 0.00 A4 C -ATOM 2068 CD LYS A 224 30.271 -5.306 8.640 1.00 0.00 A4 C -ATOM 2069 CE LYS A 224 29.788 -3.856 8.696 1.00 0.00 A4 C -ATOM 2070 NZ LYS A 224 28.657 -3.672 7.775 1.00 0.00 A4 N -ATOM 2071 HZ1 LYS A 224 28.340 -2.683 7.813 0.00 0.00 A4 H -ATOM 2072 HZ2 LYS A 224 28.959 -3.904 6.808 0.00 0.00 A4 H -ATOM 2073 HZ3 LYS A 224 27.876 -4.299 8.054 0.00 0.00 A4 H -ATOM 2074 C LYS A 224 28.474 -8.532 11.132 1.00 0.00 A4 C -ATOM 2075 O LYS A 224 27.440 -8.090 11.609 1.00 0.00 A4 O -ATOM 2076 N SER A 225 29.562 -8.851 11.856 1.00 0.00 A4 N -ATOM 2077 H SER A 225 30.346 -9.306 11.435 0.00 0.00 A4 H -ATOM 2078 CA SER A 225 29.579 -8.457 13.266 1.00 0.00 A4 C -ATOM 2079 CB SER A 225 29.316 -9.650 14.181 1.00 0.00 A4 C -ATOM 2080 OG SER A 225 27.987 -10.126 13.964 1.00 0.00 A4 O -ATOM 2081 HG SER A 225 27.893 -10.914 14.483 0.00 0.00 A4 H -ATOM 2082 C SER A 225 30.898 -7.818 13.613 1.00 0.00 A4 C -ATOM 2083 O SER A 225 31.945 -8.310 13.228 1.00 0.00 A4 O -ATOM 2084 N ILE A 226 30.817 -6.676 14.321 1.00 0.00 A4 N -ATOM 2085 H ILE A 226 29.937 -6.310 14.619 0.00 0.00 A4 H -ATOM 2086 CA ILE A 226 32.066 -5.954 14.560 1.00 0.00 A4 C -ATOM 2087 CB ILE A 226 32.188 -4.723 13.638 1.00 0.00 A4 C -ATOM 2088 CG2 ILE A 226 32.067 -5.128 12.167 1.00 0.00 A4 C -ATOM 2089 CG1 ILE A 226 31.198 -3.605 13.985 1.00 0.00 A4 C -ATOM 2090 CD1 ILE A 226 31.453 -2.327 13.183 1.00 0.00 A4 C -ATOM 2091 C ILE A 226 32.263 -5.564 16.011 1.00 0.00 A4 C -ATOM 2092 O ILE A 226 31.323 -5.508 16.789 1.00 0.00 A4 O -ATOM 2093 N VAL A 227 33.539 -5.282 16.335 1.00 0.00 A4 N -ATOM 2094 H VAL A 227 34.271 -5.421 15.669 0.00 0.00 A4 H -ATOM 2095 CA VAL A 227 33.800 -4.682 17.643 1.00 0.00 A4 C -ATOM 2096 CB VAL A 227 34.879 -5.472 18.402 1.00 0.00 A4 C -ATOM 2097 CG1 VAL A 227 35.104 -4.917 19.812 1.00 0.00 A4 C -ATOM 2098 CG2 VAL A 227 34.536 -6.965 18.456 1.00 0.00 A4 C -ATOM 2099 C VAL A 227 34.171 -3.215 17.484 1.00 0.00 A4 C -ATOM 2100 O VAL A 227 35.130 -2.864 16.807 1.00 0.00 A4 O -ATOM 2101 N ASP A 228 33.319 -2.381 18.115 1.00 0.00 A4 N -ATOM 2102 H ASP A 228 32.582 -2.763 18.671 0.00 0.00 A4 H -ATOM 2103 CA ASP A 228 33.344 -0.953 17.801 1.00 0.00 A4 C -ATOM 2104 CB ASP A 228 32.240 -0.699 16.762 1.00 0.00 A4 C -ATOM 2105 CG ASP A 228 32.200 0.701 16.165 1.00 0.00 A4 C -ATOM 2106 OD1 ASP A 228 33.011 1.547 16.531 1.00 0.00 A4 O -ATOM 2107 OD2 ASP A 228 31.342 0.937 15.317 1.00 0.00 A4 O -ATOM 2108 C ASP A 228 33.200 -0.067 19.032 1.00 0.00 A4 C -ATOM 2109 O ASP A 228 32.115 0.119 19.565 1.00 0.00 A4 O -ATOM 2110 N SER A 229 34.359 0.499 19.432 1.00 0.00 A4 N -ATOM 2111 H SER A 229 35.205 0.308 18.937 0.00 0.00 A4 H -ATOM 2112 CA SER A 229 34.367 1.408 20.582 1.00 0.00 A4 C -ATOM 2113 CB SER A 229 35.784 1.528 21.158 1.00 0.00 A4 C -ATOM 2114 OG SER A 229 36.656 2.152 20.212 1.00 0.00 A4 O -ATOM 2115 HG SER A 229 37.501 2.245 20.632 0.00 0.00 A4 H -ATOM 2116 C SER A 229 33.747 2.786 20.370 1.00 0.00 A4 C -ATOM 2117 O SER A 229 33.426 3.485 21.323 1.00 0.00 A4 O -ATOM 2118 N GLY A 230 33.581 3.139 19.078 1.00 0.00 A4 N -ATOM 2119 H GLY A 230 33.859 2.522 18.342 0.00 0.00 A4 H -ATOM 2120 CA GLY A 230 32.936 4.419 18.776 1.00 0.00 A4 C -ATOM 2121 C GLY A 230 31.434 4.381 18.530 1.00 0.00 A4 C -ATOM 2122 O GLY A 230 30.818 5.398 18.235 1.00 0.00 A4 O -ATOM 2123 N THR A 231 30.864 3.171 18.694 1.00 0.00 A4 N -ATOM 2124 H THR A 231 31.414 2.357 18.878 0.00 0.00 A4 H -ATOM 2125 CA THR A 231 29.409 3.106 18.806 1.00 0.00 A4 C -ATOM 2126 CB THR A 231 28.880 1.960 17.935 1.00 0.00 A4 C -ATOM 2127 OG1 THR A 231 29.125 2.260 16.559 1.00 0.00 A4 O -ATOM 2128 HG1 THR A 231 28.870 1.494 16.062 0.00 0.00 A4 H -ATOM 2129 CG2 THR A 231 27.395 1.651 18.144 1.00 0.00 A4 C -ATOM 2130 C THR A 231 29.058 2.906 20.263 1.00 0.00 A4 C -ATOM 2131 O THR A 231 29.744 2.178 20.962 1.00 0.00 A4 O -ATOM 2132 N THR A 232 27.980 3.587 20.699 1.00 0.00 A4 N -ATOM 2133 H THR A 232 27.447 4.161 20.078 0.00 0.00 A4 H -ATOM 2134 CA THR A 232 27.575 3.402 22.092 1.00 0.00 A4 C -ATOM 2135 CB THR A 232 26.661 4.557 22.525 1.00 0.00 A4 C -ATOM 2136 OG1 THR A 232 27.308 5.811 22.291 1.00 0.00 A4 O -ATOM 2137 HG1 THR A 232 26.716 6.483 22.603 0.00 0.00 A4 H -ATOM 2138 CG2 THR A 232 26.242 4.455 23.992 1.00 0.00 A4 C -ATOM 2139 C THR A 232 26.923 2.053 22.366 1.00 0.00 A4 C -ATOM 2140 O THR A 232 27.302 1.328 23.276 1.00 0.00 A4 O -ATOM 2141 N ASN A 233 25.907 1.768 21.531 1.00 0.00 A4 N -ATOM 2142 H ASN A 233 25.726 2.364 20.749 0.00 0.00 A4 H -ATOM 2143 CA ASN A 233 25.022 0.641 21.822 1.00 0.00 A4 C -ATOM 2144 CB ASN A 233 23.623 0.930 21.263 1.00 0.00 A4 C -ATOM 2145 CG ASN A 233 22.966 2.107 21.961 1.00 0.00 A4 C -ATOM 2146 OD1 ASN A 233 23.481 2.689 22.908 1.00 0.00 A4 O -ATOM 2147 ND2 ASN A 233 21.776 2.428 21.428 1.00 0.00 A4 N -ATOM 2148 HD21 ASN A 233 21.392 1.901 20.669 0.00 0.00 A4 H -ATOM 2149 HD22 ASN A 233 21.256 3.203 21.787 0.00 0.00 A4 H -ATOM 2150 C ASN A 233 25.488 -0.711 21.313 1.00 0.00 A4 C -ATOM 2151 O ASN A 233 26.394 -0.833 20.498 1.00 0.00 A4 O -ATOM 2152 N LEU A 234 24.747 -1.724 21.813 1.00 0.00 A4 N -ATOM 2153 H LEU A 234 24.120 -1.537 22.567 0.00 0.00 A4 H -ATOM 2154 CA LEU A 234 24.665 -3.003 21.111 1.00 0.00 A4 C -ATOM 2155 CB LEU A 234 24.267 -4.113 22.091 1.00 0.00 A4 C -ATOM 2156 CG LEU A 234 24.022 -5.498 21.470 1.00 0.00 A4 C -ATOM 2157 CD1 LEU A 234 25.271 -6.082 20.804 1.00 0.00 A4 C -ATOM 2158 CD2 LEU A 234 23.398 -6.462 22.480 1.00 0.00 A4 C -ATOM 2159 C LEU A 234 23.641 -2.906 19.998 1.00 0.00 A4 C -ATOM 2160 O LEU A 234 22.454 -2.730 20.232 1.00 0.00 A4 O -ATOM 2161 N ARG A 235 24.168 -3.026 18.770 1.00 0.00 A4 N -ATOM 2162 H ARG A 235 25.143 -3.189 18.639 0.00 0.00 A4 H -ATOM 2163 CA ARG A 235 23.258 -2.973 17.635 1.00 0.00 A4 C -ATOM 2164 CB ARG A 235 23.745 -1.944 16.613 1.00 0.00 A4 C -ATOM 2165 CG ARG A 235 24.062 -0.599 17.271 1.00 0.00 A4 C -ATOM 2166 CD ARG A 235 24.507 0.487 16.289 1.00 0.00 A4 C -ATOM 2167 NE ARG A 235 23.403 0.957 15.455 1.00 0.00 A4 N -ATOM 2168 HE ARG A 235 23.189 0.501 14.592 0.00 0.00 A4 H -ATOM 2169 CZ ARG A 235 22.629 1.988 15.859 1.00 0.00 A4 C -ATOM 2170 NH1 ARG A 235 21.608 2.363 15.096 1.00 0.00 A4 N -ATOM 2171 HH11 ARG A 235 21.020 3.118 15.387 0.00 0.00 A4 H -ATOM 2172 HH12 ARG A 235 21.427 1.892 14.233 0.00 0.00 A4 H -ATOM 2173 NH2 ARG A 235 22.863 2.640 17.001 1.00 0.00 A4 N -ATOM 2174 HH21 ARG A 235 22.261 3.391 17.272 0.00 0.00 A4 H -ATOM 2175 HH22 ARG A 235 23.630 2.385 17.590 0.00 0.00 A4 H -ATOM 2176 C ARG A 235 23.064 -4.344 17.029 1.00 0.00 A4 C -ATOM 2177 O ARG A 235 23.998 -5.106 16.836 1.00 0.00 A4 O -ATOM 2178 N LEU A 236 21.782 -4.639 16.778 1.00 0.00 A4 N -ATOM 2179 H LEU A 236 21.064 -3.967 16.951 0.00 0.00 A4 H -ATOM 2180 CA LEU A 236 21.441 -5.975 16.304 1.00 0.00 A4 C -ATOM 2181 CB LEU A 236 20.605 -6.705 17.360 1.00 0.00 A4 C -ATOM 2182 CG LEU A 236 21.312 -6.969 18.689 1.00 0.00 A4 C -ATOM 2183 CD1 LEU A 236 20.331 -7.482 19.743 1.00 0.00 A4 C -ATOM 2184 CD2 LEU A 236 22.511 -7.905 18.530 1.00 0.00 A4 C -ATOM 2185 C LEU A 236 20.643 -5.879 15.026 1.00 0.00 A4 C -ATOM 2186 O LEU A 236 19.764 -5.035 14.916 1.00 0.00 A4 O -ATOM 2187 N PRO A 237 20.952 -6.792 14.062 1.00 0.00 A4 N -ATOM 2188 CD PRO A 237 22.008 -7.795 14.128 1.00 0.00 A4 C -ATOM 2189 CA PRO A 237 20.166 -6.874 12.819 1.00 0.00 A4 C -ATOM 2190 CB PRO A 237 20.709 -8.144 12.157 1.00 0.00 A4 C -ATOM 2191 CG PRO A 237 22.121 -8.323 12.708 1.00 0.00 A4 C -ATOM 2192 C PRO A 237 18.689 -7.003 13.123 1.00 0.00 A4 C -ATOM 2193 O PRO A 237 18.344 -7.584 14.139 1.00 0.00 A4 O -ATOM 2194 N LYS A 238 17.852 -6.423 12.233 1.00 0.00 A4 N -ATOM 2195 H LYS A 238 18.250 -5.948 11.449 0.00 0.00 A4 H -ATOM 2196 CA LYS A 238 16.400 -6.355 12.465 1.00 0.00 A4 C -ATOM 2197 CB LYS A 238 15.670 -6.087 11.143 1.00 0.00 A4 C -ATOM 2198 CG LYS A 238 14.164 -5.836 11.295 1.00 0.00 A4 C -ATOM 2199 CD LYS A 238 13.462 -5.658 9.947 1.00 0.00 A4 C -ATOM 2200 CE LYS A 238 11.963 -5.360 10.066 1.00 0.00 A4 C -ATOM 2201 NZ LYS A 238 11.256 -6.497 10.675 1.00 0.00 A4 N -ATOM 2202 HZ1 LYS A 238 10.240 -6.281 10.729 0.00 0.00 A4 H -ATOM 2203 HZ2 LYS A 238 11.397 -7.351 10.098 0.00 0.00 A4 H -ATOM 2204 HZ3 LYS A 238 11.624 -6.662 11.634 0.00 0.00 A4 H -ATOM 2205 C LYS A 238 15.764 -7.538 13.183 1.00 0.00 A4 C -ATOM 2206 O LYS A 238 15.121 -7.393 14.212 1.00 0.00 A4 O -ATOM 2207 N LYS A 239 16.010 -8.717 12.583 1.00 0.00 A4 N -ATOM 2208 H LYS A 239 16.572 -8.736 11.757 0.00 0.00 A4 H -ATOM 2209 CA LYS A 239 15.424 -9.952 13.096 1.00 0.00 A4 C -ATOM 2210 CB LYS A 239 15.622 -11.038 12.040 1.00 0.00 A4 C -ATOM 2211 CG LYS A 239 14.588 -12.155 12.127 1.00 0.00 A4 C -ATOM 2212 CD LYS A 239 14.636 -13.067 10.905 1.00 0.00 A4 C -ATOM 2213 CE LYS A 239 13.580 -14.167 10.976 1.00 0.00 A4 C -ATOM 2214 NZ LYS A 239 13.436 -14.774 9.647 1.00 0.00 A4 N -ATOM 2215 HZ1 LYS A 239 12.715 -15.522 9.684 0.00 0.00 A4 H -ATOM 2216 HZ2 LYS A 239 13.136 -14.037 8.976 0.00 0.00 A4 H -ATOM 2217 HZ3 LYS A 239 14.344 -15.175 9.338 0.00 0.00 A4 H -ATOM 2218 C LYS A 239 15.876 -10.392 14.485 1.00 0.00 A4 C -ATOM 2219 O LYS A 239 15.087 -10.872 15.289 1.00 0.00 A4 O -ATOM 2220 N VAL A 240 17.186 -10.172 14.732 1.00 0.00 A4 N -ATOM 2221 H VAL A 240 17.759 -9.768 14.019 0.00 0.00 A4 H -ATOM 2222 CA VAL A 240 17.749 -10.453 16.058 1.00 0.00 A4 C -ATOM 2223 CB VAL A 240 19.285 -10.501 15.992 1.00 0.00 A4 C -ATOM 2224 CG1 VAL A 240 19.916 -10.932 17.321 1.00 0.00 A4 C -ATOM 2225 CG2 VAL A 240 19.752 -11.404 14.852 1.00 0.00 A4 C -ATOM 2226 C VAL A 240 17.289 -9.485 17.140 1.00 0.00 A4 C -ATOM 2227 O VAL A 240 17.031 -9.874 18.270 1.00 0.00 A4 O -ATOM 2228 N PHE A 241 17.175 -8.206 16.720 1.00 0.00 A4 N -ATOM 2229 H PHE A 241 17.412 -7.989 15.777 0.00 0.00 A4 H -ATOM 2230 CA PHE A 241 16.660 -7.144 17.585 1.00 0.00 A4 C -ATOM 2231 CB PHE A 241 16.778 -5.789 16.865 1.00 0.00 A4 C -ATOM 2232 CG PHE A 241 16.241 -4.641 17.698 1.00 0.00 A4 C -ATOM 2233 CD1 PHE A 241 17.015 -4.118 18.758 1.00 0.00 A4 C -ATOM 2234 CD2 PHE A 241 14.968 -4.108 17.393 1.00 0.00 A4 C -ATOM 2235 CE1 PHE A 241 16.512 -3.040 19.514 1.00 0.00 A4 C -ATOM 2236 CE2 PHE A 241 14.466 -3.031 18.149 1.00 0.00 A4 C -ATOM 2237 CZ PHE A 241 15.247 -2.502 19.197 1.00 0.00 A4 C -ATOM 2238 C PHE A 241 15.241 -7.390 18.059 1.00 0.00 A4 C -ATOM 2239 O PHE A 241 14.920 -7.169 19.215 1.00 0.00 A4 O -ATOM 2240 N GLU A 242 14.413 -7.869 17.112 1.00 0.00 A4 N -ATOM 2241 H GLU A 242 14.758 -8.041 16.190 0.00 0.00 A4 H -ATOM 2242 CA GLU A 242 13.019 -8.150 17.455 1.00 0.00 A4 C -ATOM 2243 CB GLU A 242 12.209 -8.413 16.188 1.00 0.00 A4 C -ATOM 2244 CG GLU A 242 12.174 -7.192 15.265 1.00 0.00 A4 C -ATOM 2245 CD GLU A 242 11.478 -7.530 13.961 1.00 0.00 A4 C -ATOM 2246 OE1 GLU A 242 11.821 -8.539 13.344 1.00 0.00 A4 O -ATOM 2247 OE2 GLU A 242 10.597 -6.770 13.562 1.00 0.00 A4 O -ATOM 2248 C GLU A 242 12.832 -9.281 18.447 1.00 0.00 A4 C -ATOM 2249 O GLU A 242 12.039 -9.186 19.374 1.00 0.00 A4 O -ATOM 2250 N ALA A 243 13.633 -10.344 18.217 1.00 0.00 A4 N -ATOM 2251 H ALA A 243 14.235 -10.343 17.419 0.00 0.00 A4 H -ATOM 2252 CA ALA A 243 13.636 -11.485 19.134 1.00 0.00 A4 C -ATOM 2253 CB ALA A 243 14.466 -12.626 18.544 1.00 0.00 A4 C -ATOM 2254 C ALA A 243 14.162 -11.175 20.526 1.00 0.00 A4 C -ATOM 2255 O ALA A 243 13.644 -11.651 21.529 1.00 0.00 A4 O -ATOM 2256 N ALA A 244 15.218 -10.335 20.525 1.00 0.00 A4 N -ATOM 2257 H ALA A 244 15.553 -9.974 19.656 0.00 0.00 A4 H -ATOM 2258 CA ALA A 244 15.860 -9.934 21.774 1.00 0.00 A4 C -ATOM 2259 CB ALA A 244 17.195 -9.241 21.499 1.00 0.00 A4 C -ATOM 2260 C ALA A 244 15.017 -9.027 22.643 1.00 0.00 A4 C -ATOM 2261 O ALA A 244 14.913 -9.231 23.842 1.00 0.00 A4 O -ATOM 2262 N VAL A 245 14.400 -8.032 21.974 1.00 0.00 A4 N -ATOM 2263 H VAL A 245 14.529 -7.962 20.987 0.00 0.00 A4 H -ATOM 2264 CA VAL A 245 13.503 -7.111 22.674 1.00 0.00 A4 C -ATOM 2265 CB VAL A 245 13.169 -5.908 21.776 1.00 0.00 A4 C -ATOM 2266 CG1 VAL A 245 12.113 -4.965 22.355 1.00 0.00 A4 C -ATOM 2267 CG2 VAL A 245 14.449 -5.124 21.506 1.00 0.00 A4 C -ATOM 2268 C VAL A 245 12.254 -7.778 23.218 1.00 0.00 A4 C -ATOM 2269 O VAL A 245 11.832 -7.491 24.327 1.00 0.00 A4 O -ATOM 2270 N LYS A 246 11.714 -8.713 22.408 1.00 0.00 A4 N -ATOM 2271 H LYS A 246 12.106 -8.860 21.501 0.00 0.00 A4 H -ATOM 2272 CA LYS A 246 10.590 -9.535 22.869 1.00 0.00 A4 C -ATOM 2273 CB LYS A 246 10.147 -10.465 21.733 1.00 0.00 A4 C -ATOM 2274 CG LYS A 246 8.985 -11.392 22.096 1.00 0.00 A4 C -ATOM 2275 CD LYS A 246 8.642 -12.388 20.990 1.00 0.00 A4 C -ATOM 2276 CE LYS A 246 7.626 -13.424 21.470 1.00 0.00 A4 C -ATOM 2277 NZ LYS A 246 7.280 -14.324 20.362 1.00 0.00 A4 N -ATOM 2278 HZ1 LYS A 246 6.682 -15.097 20.719 0.00 0.00 A4 H -ATOM 2279 HZ2 LYS A 246 6.760 -13.788 19.638 0.00 0.00 A4 H -ATOM 2280 HZ3 LYS A 246 8.148 -14.719 19.947 0.00 0.00 A4 H -ATOM 2281 C LYS A 246 10.881 -10.329 24.138 1.00 0.00 A4 C -ATOM 2282 O LYS A 246 10.062 -10.418 25.045 1.00 0.00 A4 O -ATOM 2283 N SER A 247 12.112 -10.880 24.151 1.00 0.00 A4 N -ATOM 2284 H SER A 247 12.717 -10.745 23.366 0.00 0.00 A4 H -ATOM 2285 CA SER A 247 12.573 -11.646 25.309 1.00 0.00 A4 C -ATOM 2286 CB SER A 247 13.818 -12.444 24.914 1.00 0.00 A4 C -ATOM 2287 OG SER A 247 14.217 -13.307 25.982 1.00 0.00 A4 O -ATOM 2288 HG SER A 247 15.060 -13.667 25.737 0.00 0.00 A4 H -ATOM 2289 C SER A 247 12.824 -10.824 26.566 1.00 0.00 A4 C -ATOM 2290 O SER A 247 12.511 -11.248 27.671 1.00 0.00 A4 O -ATOM 2291 N ILE A 248 13.395 -9.621 26.336 1.00 0.00 A4 N -ATOM 2292 H ILE A 248 13.578 -9.339 25.395 0.00 0.00 A4 H -ATOM 2293 CA ILE A 248 13.664 -8.704 27.449 1.00 0.00 A4 C -ATOM 2294 CB ILE A 248 14.673 -7.617 27.019 1.00 0.00 A4 C -ATOM 2295 CG2 ILE A 248 14.945 -6.578 28.115 1.00 0.00 A4 C -ATOM 2296 CG1 ILE A 248 15.991 -8.255 26.567 1.00 0.00 A4 C -ATOM 2297 CD1 ILE A 248 16.977 -7.246 25.973 1.00 0.00 A4 C -ATOM 2298 C ILE A 248 12.403 -8.098 28.053 1.00 0.00 A4 C -ATOM 2299 O ILE A 248 12.311 -7.900 29.258 1.00 0.00 A4 O -ATOM 2300 N LYS A 249 11.422 -7.849 27.156 1.00 0.00 A4 N -ATOM 2301 H LYS A 249 11.572 -8.087 26.198 0.00 0.00 A4 H -ATOM 2302 CA LYS A 249 10.113 -7.355 27.593 1.00 0.00 A4 C -ATOM 2303 CB LYS A 249 9.196 -7.030 26.411 1.00 0.00 A4 C -ATOM 2304 CG LYS A 249 9.529 -5.754 25.643 1.00 0.00 A4 C -ATOM 2305 CD LYS A 249 8.509 -5.493 24.532 1.00 0.00 A4 C -ATOM 2306 CE LYS A 249 8.816 -4.213 23.757 1.00 0.00 A4 C -ATOM 2307 NZ LYS A 249 7.804 -3.972 22.721 1.00 0.00 A4 N -ATOM 2308 HZ1 LYS A 249 8.065 -3.120 22.183 0.00 0.00 A4 H -ATOM 2309 HZ2 LYS A 249 7.760 -4.788 22.079 0.00 0.00 A4 H -ATOM 2310 HZ3 LYS A 249 6.876 -3.827 23.168 0.00 0.00 A4 H -ATOM 2311 C LYS A 249 9.373 -8.329 28.481 1.00 0.00 A4 C -ATOM 2312 O LYS A 249 8.807 -7.954 29.498 1.00 0.00 A4 O -ATOM 2313 N ALA A 250 9.424 -9.603 28.039 1.00 0.00 A4 N -ATOM 2314 H ALA A 250 9.913 -9.808 27.191 0.00 0.00 A4 H -ATOM 2315 CA ALA A 250 8.775 -10.681 28.784 1.00 0.00 A4 C -ATOM 2316 CB ALA A 250 8.820 -11.977 27.974 1.00 0.00 A4 C -ATOM 2317 C ALA A 250 9.371 -10.941 30.156 1.00 0.00 A4 C -ATOM 2318 O ALA A 250 8.665 -11.197 31.124 1.00 0.00 A4 O -ATOM 2319 N ALA A 251 10.715 -10.832 30.192 1.00 0.00 A4 N -ATOM 2320 H ALA A 251 11.221 -10.623 29.355 0.00 0.00 A4 H -ATOM 2321 CA ALA A 251 11.423 -10.970 31.464 1.00 0.00 A4 C -ATOM 2322 CB ALA A 251 12.926 -11.089 31.215 1.00 0.00 A4 C -ATOM 2323 C ALA A 251 11.172 -9.836 32.447 1.00 0.00 A4 C -ATOM 2324 O ALA A 251 11.159 -10.027 33.657 1.00 0.00 A4 O -ATOM 2325 N SER A 252 10.955 -8.645 31.853 1.00 0.00 A4 N -ATOM 2326 H SER A 252 10.977 -8.569 30.856 0.00 0.00 A4 H -ATOM 2327 CA SER A 252 10.662 -7.471 32.671 1.00 0.00 A4 C -ATOM 2328 CB SER A 252 11.581 -6.318 32.256 1.00 0.00 A4 C -ATOM 2329 OG SER A 252 11.284 -5.898 30.921 1.00 0.00 A4 O -ATOM 2330 HG SER A 252 11.843 -5.154 30.739 0.00 0.00 A4 H -ATOM 2331 C SER A 252 9.205 -7.027 32.672 1.00 0.00 A4 C -ATOM 2332 O SER A 252 8.901 -5.871 32.945 1.00 0.00 A4 O -ATOM 2333 N SER A 253 8.319 -7.998 32.346 1.00 0.00 A4 N -ATOM 2334 H SER A 253 8.645 -8.921 32.146 0.00 0.00 A4 H -ATOM 2335 CA SER A 253 6.891 -7.689 32.192 1.00 0.00 A4 C -ATOM 2336 CB SER A 253 6.193 -8.788 31.386 1.00 0.00 A4 C -ATOM 2337 OG SER A 253 6.202 -10.016 32.122 1.00 0.00 A4 O -ATOM 2338 HG SER A 253 5.685 -10.636 31.626 0.00 0.00 A4 H -ATOM 2339 C SER A 253 6.089 -7.384 33.451 1.00 0.00 A4 C -ATOM 2340 O SER A 253 4.881 -7.189 33.397 1.00 0.00 A4 O -ATOM 2341 N THR A 254 6.816 -7.341 34.584 1.00 0.00 A4 N -ATOM 2342 H THR A 254 7.804 -7.489 34.567 0.00 0.00 A4 H -ATOM 2343 CA THR A 254 6.181 -6.896 35.822 1.00 0.00 A4 C -ATOM 2344 CB THR A 254 6.834 -7.596 37.014 1.00 0.00 A4 C -ATOM 2345 OG1 THR A 254 8.243 -7.339 37.036 1.00 0.00 A4 O -ATOM 2346 HG1 THR A 254 8.599 -7.842 37.757 0.00 0.00 A4 H -ATOM 2347 CG2 THR A 254 6.567 -9.102 36.979 1.00 0.00 A4 C -ATOM 2348 C THR A 254 6.175 -5.385 36.006 1.00 0.00 A4 C -ATOM 2349 O THR A 254 5.571 -4.857 36.932 1.00 0.00 A4 O -ATOM 2350 N GLU A 255 6.868 -4.715 35.059 1.00 0.00 A4 N -ATOM 2351 H GLU A 255 7.387 -5.203 34.359 0.00 0.00 A4 H -ATOM 2352 CA GLU A 255 6.815 -3.258 35.027 1.00 0.00 A4 C -ATOM 2353 CB GLU A 255 8.153 -2.641 35.433 1.00 0.00 A4 C -ATOM 2354 CG GLU A 255 8.614 -3.116 36.814 1.00 0.00 A4 C -ATOM 2355 CD GLU A 255 9.396 -2.042 37.545 1.00 0.00 A4 C -ATOM 2356 OE1 GLU A 255 9.917 -1.129 36.906 1.00 0.00 A4 O -ATOM 2357 OE2 GLU A 255 9.464 -2.118 38.770 1.00 0.00 A4 O -ATOM 2358 C GLU A 255 6.373 -2.730 33.680 1.00 0.00 A4 C -ATOM 2359 O GLU A 255 6.265 -3.461 32.702 1.00 0.00 A4 O -ATOM 2360 N LYS A 256 6.109 -1.411 33.691 1.00 0.00 A4 N -ATOM 2361 H LYS A 256 6.248 -0.868 34.519 0.00 0.00 A4 H -ATOM 2362 CA LYS A 256 5.588 -0.800 32.476 1.00 0.00 A4 C -ATOM 2363 CB LYS A 256 4.193 -0.240 32.757 1.00 0.00 A4 C -ATOM 2364 CG LYS A 256 3.332 0.000 31.516 1.00 0.00 A4 C -ATOM 2365 CD LYS A 256 1.930 0.474 31.909 1.00 0.00 A4 C -ATOM 2366 CE LYS A 256 0.980 0.660 30.724 1.00 0.00 A4 C -ATOM 2367 NZ LYS A 256 1.480 1.720 29.837 1.00 0.00 A4 N -ATOM 2368 HZ1 LYS A 256 0.827 1.832 29.035 0.00 0.00 A4 H -ATOM 2369 HZ2 LYS A 256 1.542 2.615 30.362 0.00 0.00 A4 H -ATOM 2370 HZ3 LYS A 256 2.422 1.457 29.484 0.00 0.00 A4 H -ATOM 2371 C LYS A 256 6.525 0.249 31.917 1.00 0.00 A4 C -ATOM 2372 O LYS A 256 6.949 1.177 32.596 1.00 0.00 A4 O -ATOM 2373 N PHE A 257 6.836 0.028 30.629 1.00 0.00 A4 N -ATOM 2374 H PHE A 257 6.437 -0.750 30.145 0.00 0.00 A4 H -ATOM 2375 CA PHE A 257 7.756 0.930 29.945 1.00 0.00 A4 C -ATOM 2376 CB PHE A 257 9.035 0.199 29.508 1.00 0.00 A4 C -ATOM 2377 CG PHE A 257 9.704 -0.519 30.658 1.00 0.00 A4 C -ATOM 2378 CD1 PHE A 257 9.370 -1.868 30.910 1.00 0.00 A4 C -ATOM 2379 CD2 PHE A 257 10.652 0.161 31.453 1.00 0.00 A4 C -ATOM 2380 CE1 PHE A 257 9.985 -2.547 31.979 1.00 0.00 A4 C -ATOM 2381 CE2 PHE A 257 11.270 -0.518 32.521 1.00 0.00 A4 C -ATOM 2382 CZ PHE A 257 10.925 -1.863 32.776 1.00 0.00 A4 C -ATOM 2383 C PHE A 257 7.084 1.495 28.714 1.00 0.00 A4 C -ATOM 2384 O PHE A 257 6.412 0.776 27.984 1.00 0.00 A4 O -ATOM 2385 N PRO A 258 7.301 2.817 28.488 1.00 0.00 A4 N -ATOM 2386 CD PRO A 258 7.952 3.772 29.380 1.00 0.00 A4 C -ATOM 2387 CA PRO A 258 6.860 3.424 27.225 1.00 0.00 A4 C -ATOM 2388 CB PRO A 258 7.355 4.866 27.356 1.00 0.00 A4 C -ATOM 2389 CG PRO A 258 7.497 5.126 28.854 1.00 0.00 A4 C -ATOM 2390 C PRO A 258 7.450 2.718 26.015 1.00 0.00 A4 C -ATOM 2391 O PRO A 258 8.520 2.126 26.087 1.00 0.00 A4 O -ATOM 2392 N ASP A 259 6.696 2.793 24.902 1.00 0.00 A4 N -ATOM 2393 H ASP A 259 5.823 3.281 24.907 0.00 0.00 A4 H -ATOM 2394 CA ASP A 259 7.211 2.152 23.690 1.00 0.00 A4 C -ATOM 2395 CB ASP A 259 6.104 2.037 22.638 1.00 0.00 A4 C -ATOM 2396 CG ASP A 259 6.450 0.952 21.634 1.00 0.00 A4 C -ATOM 2397 OD1 ASP A 259 6.350 -0.224 21.984 1.00 0.00 A4 O -ATOM 2398 OD2 ASP A 259 6.819 1.287 20.510 1.00 0.00 A4 O -ATOM 2399 C ASP A 259 8.467 2.796 23.115 1.00 0.00 A4 C -ATOM 2400 O ASP A 259 9.285 2.150 22.471 1.00 0.00 A4 O -ATOM 2401 N GLY A 260 8.587 4.105 23.422 1.00 0.00 A4 N -ATOM 2402 H GLY A 260 7.873 4.565 23.951 0.00 0.00 A4 H -ATOM 2403 CA GLY A 260 9.802 4.827 23.056 1.00 0.00 A4 C -ATOM 2404 C GLY A 260 11.034 4.468 23.867 1.00 0.00 A4 C -ATOM 2405 O GLY A 260 12.149 4.682 23.418 1.00 0.00 A4 O -ATOM 2406 N PHE A 261 10.799 3.881 25.064 1.00 0.00 A4 N -ATOM 2407 H PHE A 261 9.864 3.760 25.395 0.00 0.00 A4 H -ATOM 2408 CA PHE A 261 11.934 3.330 25.814 1.00 0.00 A4 C -ATOM 2409 CB PHE A 261 11.482 2.844 27.205 1.00 0.00 A4 C -ATOM 2410 CG PHE A 261 12.597 2.110 27.925 1.00 0.00 A4 C -ATOM 2411 CD1 PHE A 261 13.700 2.830 28.433 1.00 0.00 A4 C -ATOM 2412 CD2 PHE A 261 12.523 0.704 28.046 1.00 0.00 A4 C -ATOM 2413 CE1 PHE A 261 14.756 2.131 29.049 1.00 0.00 A4 C -ATOM 2414 CE2 PHE A 261 13.576 0.005 28.666 1.00 0.00 A4 C -ATOM 2415 CZ PHE A 261 14.685 0.726 29.156 1.00 0.00 A4 C -ATOM 2416 C PHE A 261 12.685 2.240 25.061 1.00 0.00 A4 C -ATOM 2417 O PHE A 261 13.907 2.243 24.996 1.00 0.00 A4 O -ATOM 2418 N TRP A 262 11.884 1.322 24.484 1.00 0.00 A4 N -ATOM 2419 H TRP A 262 10.890 1.402 24.567 0.00 0.00 A4 H -ATOM 2420 CA TRP A 262 12.476 0.225 23.716 1.00 0.00 A4 C -ATOM 2421 CB TRP A 262 11.448 -0.888 23.504 1.00 0.00 A4 C -ATOM 2422 CG TRP A 262 10.909 -1.381 24.829 1.00 0.00 A4 C -ATOM 2423 CD2 TRP A 262 11.575 -2.192 25.822 1.00 0.00 A4 C -ATOM 2424 CE2 TRP A 262 10.639 -2.414 26.887 1.00 0.00 A4 C -ATOM 2425 CE3 TRP A 262 12.872 -2.745 25.899 1.00 0.00 A4 C -ATOM 2426 CD1 TRP A 262 9.622 -1.155 25.343 1.00 0.00 A4 C -ATOM 2427 NE1 TRP A 262 9.458 -1.762 26.549 1.00 0.00 A4 N -ATOM 2428 HE1 TRP A 262 8.637 -1.751 27.084 0.00 0.00 A4 H -ATOM 2429 CZ2 TRP A 262 11.019 -3.186 28.007 1.00 0.00 A4 C -ATOM 2430 CZ3 TRP A 262 13.238 -3.513 27.024 1.00 0.00 A4 C -ATOM 2431 CH2 TRP A 262 12.317 -3.734 28.072 1.00 0.00 A4 C -ATOM 2432 C TRP A 262 13.101 0.618 22.384 1.00 0.00 A4 C -ATOM 2433 O TRP A 262 13.875 -0.128 21.798 1.00 0.00 A4 O -ATOM 2434 N LEU A 263 12.735 1.842 21.947 1.00 0.00 A4 N -ATOM 2435 H LEU A 263 12.094 2.399 22.474 0.00 0.00 A4 H -ATOM 2436 CA LEU A 263 13.348 2.400 20.742 1.00 0.00 A4 C -ATOM 2437 CB LEU A 263 12.308 3.214 19.971 1.00 0.00 A4 C -ATOM 2438 CG LEU A 263 11.127 2.385 19.465 1.00 0.00 A4 C -ATOM 2439 CD1 LEU A 263 9.976 3.274 18.993 1.00 0.00 A4 C -ATOM 2440 CD2 LEU A 263 11.554 1.377 18.395 1.00 0.00 A4 C -ATOM 2441 C LEU A 263 14.593 3.245 20.983 1.00 0.00 A4 C -ATOM 2442 O LEU A 263 15.196 3.757 20.047 1.00 0.00 A4 O -ATOM 2443 N GLY A 264 14.946 3.376 22.280 1.00 0.00 A4 N -ATOM 2444 H GLY A 264 14.402 2.942 22.997 0.00 0.00 A4 H -ATOM 2445 CA GLY A 264 16.096 4.211 22.637 1.00 0.00 A4 C -ATOM 2446 C GLY A 264 15.838 5.713 22.659 1.00 0.00 A4 C -ATOM 2447 O GLY A 264 16.760 6.519 22.681 1.00 0.00 A4 O -ATOM 2448 N GLU A 265 14.532 6.047 22.641 1.00 0.00 A4 N -ATOM 2449 H GLU A 265 13.841 5.328 22.651 0.00 0.00 A4 H -ATOM 2450 CA GLU A 265 14.117 7.448 22.652 1.00 0.00 A4 C -ATOM 2451 CB GLU A 265 12.865 7.632 21.789 1.00 0.00 A4 C -ATOM 2452 CG GLU A 265 13.005 7.050 20.377 1.00 0.00 A4 C -ATOM 2453 CD GLU A 265 11.688 7.082 19.613 1.00 0.00 A4 C -ATOM 2454 OE1 GLU A 265 11.729 6.939 18.392 1.00 0.00 A4 O -ATOM 2455 OE2 GLU A 265 10.629 7.237 20.224 1.00 0.00 A4 O -ATOM 2456 C GLU A 265 13.878 7.968 24.057 1.00 0.00 A4 C -ATOM 2457 O GLU A 265 14.634 8.783 24.573 1.00 0.00 A4 O -ATOM 2458 N GLN A 266 12.788 7.440 24.656 1.00 0.00 A4 N -ATOM 2459 H GLN A 266 12.210 6.779 24.179 0.00 0.00 A4 H -ATOM 2460 CA GLN A 266 12.471 7.816 26.032 1.00 0.00 A4 C -ATOM 2461 CB GLN A 266 10.996 7.542 26.336 1.00 0.00 A4 C -ATOM 2462 CG GLN A 266 10.027 8.227 25.368 1.00 0.00 A4 C -ATOM 2463 CD GLN A 266 8.604 7.913 25.780 1.00 0.00 A4 C -ATOM 2464 OE1 GLN A 266 8.130 8.323 26.833 1.00 0.00 A4 O -ATOM 2465 NE2 GLN A 266 7.942 7.147 24.895 1.00 0.00 A4 N -ATOM 2466 HE21 GLN A 266 8.372 6.857 24.041 0.00 0.00 A4 H -ATOM 2467 HE22 GLN A 266 7.007 6.848 25.087 0.00 0.00 A4 H -ATOM 2468 C GLN A 266 13.348 7.130 27.064 1.00 0.00 A4 C -ATOM 2469 O GLN A 266 13.858 6.034 26.866 1.00 0.00 A4 O -ATOM 2470 N LEU A 267 13.487 7.862 28.182 1.00 0.00 A4 N -ATOM 2471 H LEU A 267 13.027 8.747 28.241 0.00 0.00 A4 H -ATOM 2472 CA LEU A 267 14.259 7.349 29.312 1.00 0.00 A4 C -ATOM 2473 CB LEU A 267 15.351 8.349 29.748 1.00 0.00 A4 C -ATOM 2474 CG LEU A 267 14.909 9.712 30.319 1.00 0.00 A4 C -ATOM 2475 CD1 LEU A 267 16.028 10.361 31.130 1.00 0.00 A4 C -ATOM 2476 CD2 LEU A 267 14.410 10.704 29.264 1.00 0.00 A4 C -ATOM 2477 C LEU A 267 13.373 6.941 30.476 1.00 0.00 A4 C -ATOM 2478 O LEU A 267 12.269 7.444 30.647 1.00 0.00 A4 O -ATOM 2479 N VAL A 268 13.913 5.991 31.264 1.00 0.00 A4 N -ATOM 2480 H VAL A 268 14.816 5.620 31.060 0.00 0.00 A4 H -ATOM 2481 CA VAL A 268 13.152 5.512 32.417 1.00 0.00 A4 C -ATOM 2482 CB VAL A 268 12.837 4.012 32.257 1.00 0.00 A4 C -ATOM 2483 CG1 VAL A 268 14.102 3.147 32.262 1.00 0.00 A4 C -ATOM 2484 CG2 VAL A 268 11.798 3.532 33.275 1.00 0.00 A4 C -ATOM 2485 C VAL A 268 13.851 5.807 33.733 1.00 0.00 A4 C -ATOM 2486 O VAL A 268 15.053 5.634 33.879 1.00 0.00 A4 O -ATOM 2487 N CYS A 269 13.034 6.264 34.697 1.00 0.00 A4 N -ATOM 2488 H CYS A 269 12.057 6.395 34.534 0.00 0.00 A4 H -ATOM 2489 CA CYS A 269 13.643 6.516 35.997 1.00 0.00 A4 C -ATOM 2490 CB CYS A 269 13.568 8.005 36.344 1.00 0.00 A4 C -ATOM 2491 SG CYS A 269 14.190 9.119 35.051 1.00 0.00 A4 S -ATOM 2492 C CYS A 269 13.045 5.663 37.101 1.00 0.00 A4 C -ATOM 2493 O CYS A 269 11.945 5.132 36.996 1.00 0.00 A4 O -ATOM 2494 N TRP A 270 13.849 5.573 38.173 1.00 0.00 A4 N -ATOM 2495 H TRP A 270 14.749 6.006 38.132 0.00 0.00 A4 H -ATOM 2496 CA TRP A 270 13.434 4.891 39.399 1.00 0.00 A4 C -ATOM 2497 CB TRP A 270 14.011 3.476 39.469 1.00 0.00 A4 C -ATOM 2498 CG TRP A 270 13.232 2.536 38.586 1.00 0.00 A4 C -ATOM 2499 CD2 TRP A 270 13.628 1.972 37.319 1.00 0.00 A4 C -ATOM 2500 CE2 TRP A 270 12.558 1.121 36.884 1.00 0.00 A4 C -ATOM 2501 CE3 TRP A 270 14.790 2.105 36.530 1.00 0.00 A4 C -ATOM 2502 CD1 TRP A 270 11.960 2.008 38.849 1.00 0.00 A4 C -ATOM 2503 NE1 TRP A 270 11.559 1.176 37.852 1.00 0.00 A4 N -ATOM 2504 HE1 TRP A 270 10.710 0.689 37.832 0.00 0.00 A4 H -ATOM 2505 CZ2 TRP A 270 12.675 0.415 35.668 1.00 0.00 A4 C -ATOM 2506 CZ3 TRP A 270 14.894 1.393 35.317 1.00 0.00 A4 C -ATOM 2507 CH2 TRP A 270 13.843 0.551 34.889 1.00 0.00 A4 C -ATOM 2508 C TRP A 270 13.987 5.660 40.567 1.00 0.00 A4 C -ATOM 2509 O TRP A 270 15.014 6.306 40.430 1.00 0.00 A4 O -ATOM 2510 N GLN A 271 13.305 5.540 41.729 1.00 0.00 A4 N -ATOM 2511 H GLN A 271 12.461 5.005 41.754 0.00 0.00 A4 H -ATOM 2512 CA GLN A 271 13.848 6.139 42.958 1.00 0.00 A4 C -ATOM 2513 CB GLN A 271 13.007 5.681 44.153 1.00 0.00 A4 C -ATOM 2514 CG GLN A 271 13.392 6.277 45.515 1.00 0.00 A4 C -ATOM 2515 CD GLN A 271 12.707 5.545 46.662 1.00 0.00 A4 C -ATOM 2516 OE1 GLN A 271 13.289 5.347 47.721 1.00 0.00 A4 O -ATOM 2517 NE2 GLN A 271 11.437 5.160 46.419 1.00 0.00 A4 N -ATOM 2518 HE21 GLN A 271 10.988 5.293 45.536 0.00 0.00 A4 H -ATOM 2519 HE22 GLN A 271 10.906 4.720 47.143 0.00 0.00 A4 H -ATOM 2520 C GLN A 271 15.302 5.752 43.164 1.00 0.00 A4 C -ATOM 2521 O GLN A 271 15.648 4.597 42.979 1.00 0.00 A4 O -ATOM 2522 N ALA A 272 16.136 6.756 43.508 1.00 0.00 A4 N -ATOM 2523 H ALA A 272 15.795 7.696 43.533 0.00 0.00 A4 H -ATOM 2524 CA ALA A 272 17.566 6.467 43.671 1.00 0.00 A4 C -ATOM 2525 CB ALA A 272 18.316 7.700 44.176 1.00 0.00 A4 C -ATOM 2526 C ALA A 272 17.901 5.290 44.578 1.00 0.00 A4 C -ATOM 2527 O ALA A 272 17.724 5.322 45.790 1.00 0.00 A4 O -ATOM 2528 N GLY A 273 18.390 4.240 43.890 1.00 0.00 A4 N -ATOM 2529 H GLY A 273 18.437 4.299 42.894 0.00 0.00 A4 H -ATOM 2530 CA GLY A 273 18.755 3.004 44.581 1.00 0.00 A4 C -ATOM 2531 C GLY A 273 17.737 1.874 44.496 1.00 0.00 A4 C -ATOM 2532 O GLY A 273 17.871 0.858 45.167 1.00 0.00 A4 O -ATOM 2533 N THR A 274 16.706 2.098 43.653 1.00 0.00 A4 N -ATOM 2534 H THR A 274 16.695 2.910 43.074 0.00 0.00 A4 H -ATOM 2535 CA THR A 274 15.619 1.120 43.571 1.00 0.00 A4 C -ATOM 2536 CB THR A 274 14.269 1.710 44.007 1.00 0.00 A4 C -ATOM 2537 OG1 THR A 274 13.805 2.669 43.050 1.00 0.00 A4 O -ATOM 2538 HG1 THR A 274 12.979 3.007 43.368 0.00 0.00 A4 H -ATOM 2539 CG2 THR A 274 14.314 2.304 45.416 1.00 0.00 A4 C -ATOM 2540 C THR A 274 15.448 0.464 42.216 1.00 0.00 A4 C -ATOM 2541 O THR A 274 14.448 -0.201 41.974 1.00 0.00 A4 O -ATOM 2542 N THR A 275 16.464 0.672 41.346 1.00 0.00 A4 N -ATOM 2543 H THR A 275 17.227 1.273 41.584 0.00 0.00 A4 H -ATOM 2544 CA THR A 275 16.443 0.007 40.041 1.00 0.00 A4 C -ATOM 2545 CB THR A 275 17.684 0.392 39.224 1.00 0.00 A4 C -ATOM 2546 OG1 THR A 275 17.878 1.807 39.255 1.00 0.00 A4 O -ATOM 2547 HG1 THR A 275 18.677 1.975 38.774 0.00 0.00 A4 H -ATOM 2548 CG2 THR A 275 17.602 -0.095 37.773 1.00 0.00 A4 C -ATOM 2549 C THR A 275 16.340 -1.506 40.172 1.00 0.00 A4 C -ATOM 2550 O THR A 275 17.163 -2.143 40.817 1.00 0.00 A4 O -ATOM 2551 N PRO A 276 15.252 -2.045 39.561 1.00 0.00 A4 N -ATOM 2552 CD PRO A 276 14.213 -1.316 38.838 1.00 0.00 A4 C -ATOM 2553 CA PRO A 276 14.987 -3.484 39.636 1.00 0.00 A4 C -ATOM 2554 CB PRO A 276 13.478 -3.519 39.367 1.00 0.00 A4 C -ATOM 2555 CG PRO A 276 13.233 -2.383 38.374 1.00 0.00 A4 C -ATOM 2556 C PRO A 276 15.807 -4.275 38.628 1.00 0.00 A4 C -ATOM 2557 O PRO A 276 15.291 -4.815 37.659 1.00 0.00 A4 O -ATOM 2558 N TRP A 277 17.125 -4.326 38.918 1.00 0.00 A4 N -ATOM 2559 H TRP A 277 17.464 -3.832 39.716 0.00 0.00 A4 H -ATOM 2560 CA TRP A 277 18.069 -5.040 38.053 1.00 0.00 A4 C -ATOM 2561 CB TRP A 277 19.483 -4.994 38.640 1.00 0.00 A4 C -ATOM 2562 CG TRP A 277 20.028 -3.585 38.713 1.00 0.00 A4 C -ATOM 2563 CD2 TRP A 277 20.343 -2.685 37.627 1.00 0.00 A4 C -ATOM 2564 CE2 TRP A 277 20.885 -1.489 38.209 1.00 0.00 A4 C -ATOM 2565 CE3 TRP A 277 20.218 -2.789 36.224 1.00 0.00 A4 C -ATOM 2566 CD1 TRP A 277 20.387 -2.890 39.879 1.00 0.00 A4 C -ATOM 2567 NE1 TRP A 277 20.891 -1.660 39.589 1.00 0.00 A4 N -ATOM 2568 HE1 TRP A 277 21.210 -1.005 40.245 0.00 0.00 A4 H -ATOM 2569 CZ2 TRP A 277 21.293 -0.424 37.376 1.00 0.00 A4 C -ATOM 2570 CZ3 TRP A 277 20.628 -1.717 35.404 1.00 0.00 A4 C -ATOM 2571 CH2 TRP A 277 21.163 -0.542 35.975 1.00 0.00 A4 C -ATOM 2572 C TRP A 277 17.709 -6.487 37.760 1.00 0.00 A4 C -ATOM 2573 O TRP A 277 17.904 -6.981 36.657 1.00 0.00 A4 O -ATOM 2574 N ASN A 278 17.147 -7.122 38.812 1.00 0.00 A4 N -ATOM 2575 H ASN A 278 17.045 -6.624 39.674 0.00 0.00 A4 H -ATOM 2576 CA ASN A 278 16.711 -8.520 38.748 1.00 0.00 A4 C -ATOM 2577 CB ASN A 278 16.200 -8.977 40.129 1.00 0.00 A4 C -ATOM 2578 CG ASN A 278 14.867 -8.342 40.508 1.00 0.00 A4 C -ATOM 2579 OD1 ASN A 278 13.814 -8.960 40.414 1.00 0.00 A4 O -ATOM 2580 ND2 ASN A 278 14.967 -7.074 40.945 1.00 0.00 A4 N -ATOM 2581 HD21 ASN A 278 15.856 -6.621 41.006 0.00 0.00 A4 H -ATOM 2582 HD22 ASN A 278 14.148 -6.565 41.211 0.00 0.00 A4 H -ATOM 2583 C ASN A 278 15.733 -8.897 37.640 1.00 0.00 A4 C -ATOM 2584 O ASN A 278 15.736 -10.020 37.153 1.00 0.00 A4 O -ATOM 2585 N ILE A 279 14.899 -7.899 37.270 1.00 0.00 A4 N -ATOM 2586 H ILE A 279 15.003 -6.989 37.669 0.00 0.00 A4 H -ATOM 2587 CA ILE A 279 13.896 -8.158 36.232 1.00 0.00 A4 C -ATOM 2588 CB ILE A 279 12.680 -7.220 36.373 1.00 0.00 A4 C -ATOM 2589 CG2 ILE A 279 12.139 -7.239 37.806 1.00 0.00 A4 C -ATOM 2590 CG1 ILE A 279 12.960 -5.798 35.880 1.00 0.00 A4 C -ATOM 2591 CD1 ILE A 279 11.718 -4.915 35.792 1.00 0.00 A4 C -ATOM 2592 C ILE A 279 14.422 -8.152 34.800 1.00 0.00 A4 C -ATOM 2593 O ILE A 279 13.760 -8.600 33.873 1.00 0.00 A4 O -ATOM 2594 N PHE A 280 15.654 -7.620 34.673 1.00 0.00 A4 N -ATOM 2595 H PHE A 280 16.157 -7.307 35.478 0.00 0.00 A4 H -ATOM 2596 CA PHE A 280 16.287 -7.569 33.360 1.00 0.00 A4 C -ATOM 2597 CB PHE A 280 16.940 -6.211 33.127 1.00 0.00 A4 C -ATOM 2598 CG PHE A 280 15.933 -5.098 33.016 1.00 0.00 A4 C -ATOM 2599 CD1 PHE A 280 15.253 -4.901 31.795 1.00 0.00 A4 C -ATOM 2600 CD2 PHE A 280 15.710 -4.260 34.129 1.00 0.00 A4 C -ATOM 2601 CE1 PHE A 280 14.342 -3.835 31.679 1.00 0.00 A4 C -ATOM 2602 CE2 PHE A 280 14.798 -3.194 34.015 1.00 0.00 A4 C -ATOM 2603 CZ PHE A 280 14.129 -2.990 32.789 1.00 0.00 A4 C -ATOM 2604 C PHE A 280 17.334 -8.650 33.202 1.00 0.00 A4 C -ATOM 2605 O PHE A 280 18.213 -8.817 34.035 1.00 0.00 A4 O -ATOM 2606 N PRO A 281 17.192 -9.394 32.080 1.00 0.00 A4 N -ATOM 2607 CD PRO A 281 16.202 -9.176 31.028 1.00 0.00 A4 C -ATOM 2608 CA PRO A 281 18.031 -10.574 31.841 1.00 0.00 A4 C -ATOM 2609 CB PRO A 281 17.323 -11.221 30.650 1.00 0.00 A4 C -ATOM 2610 CG PRO A 281 16.667 -10.071 29.895 1.00 0.00 A4 C -ATOM 2611 C PRO A 281 19.500 -10.296 31.562 1.00 0.00 A4 C -ATOM 2612 O PRO A 281 19.931 -9.180 31.300 1.00 0.00 A4 O -ATOM 2613 N VAL A 282 20.243 -11.417 31.602 1.00 0.00 A4 N -ATOM 2614 H VAL A 282 19.843 -12.271 31.933 0.00 0.00 A4 H -ATOM 2615 CA VAL A 282 21.588 -11.391 31.032 1.00 0.00 A4 C -ATOM 2616 CB VAL A 282 22.552 -12.228 31.886 1.00 0.00 A4 C -ATOM 2617 CG1 VAL A 282 22.585 -11.688 33.315 1.00 0.00 A4 C -ATOM 2618 CG2 VAL A 282 22.238 -13.729 31.856 1.00 0.00 A4 C -ATOM 2619 C VAL A 282 21.600 -11.838 29.577 1.00 0.00 A4 C -ATOM 2620 O VAL A 282 20.756 -12.608 29.138 1.00 0.00 A4 O -ATOM 2621 N ILE A 283 22.594 -11.303 28.842 1.00 0.00 A4 N -ATOM 2622 H ILE A 283 23.220 -10.641 29.249 0.00 0.00 A4 H -ATOM 2623 CA ILE A 283 22.726 -11.691 27.437 1.00 0.00 A4 C -ATOM 2624 CB ILE A 283 22.471 -10.493 26.503 1.00 0.00 A4 C -ATOM 2625 CG2 ILE A 283 22.581 -10.893 25.024 1.00 0.00 A4 C -ATOM 2626 CG1 ILE A 283 21.127 -9.822 26.804 1.00 0.00 A4 C -ATOM 2627 CD1 ILE A 283 20.906 -8.548 25.987 1.00 0.00 A4 C -ATOM 2628 C ILE A 283 24.077 -12.315 27.138 1.00 0.00 A4 C -ATOM 2629 O ILE A 283 25.116 -11.671 27.188 1.00 0.00 A4 O -ATOM 2630 N SER A 284 24.006 -13.611 26.794 1.00 0.00 A4 N -ATOM 2631 H SER A 284 23.126 -14.081 26.777 0.00 0.00 A4 H -ATOM 2632 CA SER A 284 25.235 -14.284 26.389 1.00 0.00 A4 C -ATOM 2633 CB SER A 284 25.268 -15.702 26.953 1.00 0.00 A4 C -ATOM 2634 OG SER A 284 25.180 -15.646 28.378 1.00 0.00 A4 O -ATOM 2635 HG SER A 284 25.213 -16.541 28.688 0.00 0.00 A4 H -ATOM 2636 C SER A 284 25.470 -14.294 24.892 1.00 0.00 A4 C -ATOM 2637 O SER A 284 24.665 -14.772 24.105 1.00 0.00 A4 O -ATOM 2638 N LEU A 285 26.646 -13.744 24.545 1.00 0.00 A4 N -ATOM 2639 H LEU A 285 27.227 -13.329 25.241 0.00 0.00 A4 H -ATOM 2640 CA LEU A 285 27.100 -13.821 23.160 1.00 0.00 A4 C -ATOM 2641 CB LEU A 285 27.557 -12.456 22.647 1.00 0.00 A4 C -ATOM 2642 CG LEU A 285 26.526 -11.332 22.760 1.00 0.00 A4 C -ATOM 2643 CD1 LEU A 285 27.155 -9.981 22.418 1.00 0.00 A4 C -ATOM 2644 CD2 LEU A 285 25.269 -11.600 21.931 1.00 0.00 A4 C -ATOM 2645 C LEU A 285 28.250 -14.791 23.022 1.00 0.00 A4 C -ATOM 2646 O LEU A 285 29.318 -14.615 23.590 1.00 0.00 A4 O -ATOM 2647 N TYR A 286 27.977 -15.827 22.220 1.00 0.00 A4 N -ATOM 2648 H TYR A 286 27.111 -15.855 21.728 0.00 0.00 A4 H -ATOM 2649 CA TYR A 286 29.035 -16.796 21.963 1.00 0.00 A4 C -ATOM 2650 CB TYR A 286 28.475 -18.215 21.802 1.00 0.00 A4 C -ATOM 2651 CG TYR A 286 27.852 -18.784 23.063 1.00 0.00 A4 C -ATOM 2652 CD1 TYR A 286 26.674 -18.215 23.596 1.00 0.00 A4 C -ATOM 2653 CE1 TYR A 286 26.075 -18.804 24.721 1.00 0.00 A4 C -ATOM 2654 CD2 TYR A 286 28.459 -19.911 23.654 1.00 0.00 A4 C -ATOM 2655 CE2 TYR A 286 27.859 -20.503 24.778 1.00 0.00 A4 C -ATOM 2656 CZ TYR A 286 26.670 -19.947 25.291 1.00 0.00 A4 C -ATOM 2657 OH TYR A 286 26.067 -20.533 26.385 1.00 0.00 A4 O -ATOM 2658 HH TYR A 286 26.630 -21.200 26.753 0.00 0.00 A4 H -ATOM 2659 C TYR A 286 29.801 -16.403 20.720 1.00 0.00 A4 C -ATOM 2660 O TYR A 286 29.225 -16.063 19.698 1.00 0.00 A4 O -ATOM 2661 N LEU A 287 31.133 -16.451 20.867 1.00 0.00 A4 N -ATOM 2662 H LEU A 287 31.535 -16.673 21.750 0.00 0.00 A4 H -ATOM 2663 CA LEU A 287 32.006 -16.138 19.743 1.00 0.00 A4 C -ATOM 2664 CB LEU A 287 32.946 -14.998 20.128 1.00 0.00 A4 C -ATOM 2665 CG LEU A 287 32.229 -13.706 20.518 1.00 0.00 A4 C -ATOM 2666 CD1 LEU A 287 33.165 -12.730 21.227 1.00 0.00 A4 C -ATOM 2667 CD2 LEU A 287 31.536 -13.059 19.320 1.00 0.00 A4 C -ATOM 2668 C LEU A 287 32.825 -17.343 19.349 1.00 0.00 A4 C -ATOM 2669 O LEU A 287 33.186 -18.158 20.186 1.00 0.00 A4 O -ATOM 2670 N MET A 288 33.128 -17.394 18.035 1.00 0.00 A4 N -ATOM 2671 H MET A 288 32.766 -16.690 17.427 0.00 0.00 A4 H -ATOM 2672 CA MET A 288 34.026 -18.427 17.511 1.00 0.00 A4 C -ATOM 2673 CB MET A 288 34.196 -18.216 15.999 1.00 0.00 A4 C -ATOM 2674 CG MET A 288 35.114 -19.230 15.306 1.00 0.00 A4 C -ATOM 2675 SD MET A 288 35.468 -18.834 13.586 1.00 0.00 A4 S -ATOM 2676 CE MET A 288 33.922 -19.404 12.872 1.00 0.00 A4 C -ATOM 2677 C MET A 288 35.371 -18.423 18.226 1.00 0.00 A4 C -ATOM 2678 O MET A 288 35.942 -17.381 18.503 1.00 0.00 A4 O -ATOM 2679 N GLY A 289 35.829 -19.642 18.542 1.00 0.00 A4 N -ATOM 2680 H GLY A 289 35.322 -20.450 18.246 0.00 0.00 A4 H -ATOM 2681 CA GLY A 289 37.099 -19.736 19.258 1.00 0.00 A4 C -ATOM 2682 C GLY A 289 38.273 -20.034 18.350 1.00 0.00 A4 C -ATOM 2683 O GLY A 289 38.218 -19.859 17.139 1.00 0.00 A4 O -ATOM 2684 N GLU A 290 39.351 -20.489 19.014 1.00 0.00 A4 N -ATOM 2685 H GLU A 290 39.300 -20.674 19.996 0.00 0.00 A4 H -ATOM 2686 CA GLU A 290 40.587 -20.718 18.270 1.00 0.00 A4 C -ATOM 2687 CB GLU A 290 41.798 -20.315 19.102 1.00 0.00 A4 C -ATOM 2688 CG GLU A 290 41.766 -18.847 19.516 1.00 0.00 A4 C -ATOM 2689 CD GLU A 290 43.076 -18.507 20.190 1.00 0.00 A4 C -ATOM 2690 OE1 GLU A 290 43.185 -18.700 21.400 1.00 0.00 A4 O -ATOM 2691 OE2 GLU A 290 43.981 -18.049 19.497 1.00 0.00 A4 O -ATOM 2692 C GLU A 290 40.801 -22.115 17.722 1.00 0.00 A4 C -ATOM 2693 O GLU A 290 41.558 -22.308 16.778 1.00 0.00 A4 O -ATOM 2694 N VAL A 291 40.110 -23.084 18.353 1.00 0.00 A4 N -ATOM 2695 H VAL A 291 39.488 -22.871 19.105 0.00 0.00 A4 H -ATOM 2696 CA VAL A 291 40.249 -24.446 17.841 1.00 0.00 A4 C -ATOM 2697 CB VAL A 291 40.841 -25.403 18.902 1.00 0.00 A4 C -ATOM 2698 CG1 VAL A 291 42.144 -24.843 19.478 1.00 0.00 A4 C -ATOM 2699 CG2 VAL A 291 39.865 -25.779 20.017 1.00 0.00 A4 C -ATOM 2700 C VAL A 291 38.951 -24.969 17.247 1.00 0.00 A4 C -ATOM 2701 O VAL A 291 37.903 -24.346 17.372 1.00 0.00 A4 O -ATOM 2702 N THR A 292 39.081 -26.143 16.587 1.00 0.00 A4 N -ATOM 2703 H THR A 292 39.982 -26.571 16.528 0.00 0.00 A4 H -ATOM 2704 CA THR A 292 37.928 -26.771 15.930 1.00 0.00 A4 C -ATOM 2705 CB THR A 292 38.367 -28.068 15.232 1.00 0.00 A4 C -ATOM 2706 OG1 THR A 292 39.483 -27.812 14.376 1.00 0.00 A4 O -ATOM 2707 HG1 THR A 292 39.712 -28.642 13.979 0.00 0.00 A4 H -ATOM 2708 CG2 THR A 292 37.244 -28.740 14.432 1.00 0.00 A4 C -ATOM 2709 C THR A 292 36.765 -27.042 16.872 1.00 0.00 A4 C -ATOM 2710 O THR A 292 36.934 -27.584 17.958 1.00 0.00 A4 O -ATOM 2711 N ASN A 293 35.580 -26.601 16.390 1.00 0.00 A4 N -ATOM 2712 H ASN A 293 35.557 -26.194 15.476 0.00 0.00 A4 H -ATOM 2713 CA ASN A 293 34.322 -26.749 17.134 1.00 0.00 A4 C -ATOM 2714 CB ASN A 293 33.808 -28.195 17.108 1.00 0.00 A4 C -ATOM 2715 CG ASN A 293 33.523 -28.653 15.691 1.00 0.00 A4 C -ATOM 2716 OD1 ASN A 293 33.187 -27.883 14.800 1.00 0.00 A4 O -ATOM 2717 ND2 ASN A 293 33.676 -29.980 15.540 1.00 0.00 A4 N -ATOM 2718 HD21 ASN A 293 33.954 -30.545 16.317 0.00 0.00 A4 H -ATOM 2719 HD22 ASN A 293 33.509 -30.418 14.658 0.00 0.00 A4 H -ATOM 2720 C ASN A 293 34.326 -26.220 18.558 1.00 0.00 A4 C -ATOM 2721 O ASN A 293 33.693 -26.768 19.451 1.00 0.00 A4 O -ATOM 2722 N GLN A 294 35.086 -25.124 18.725 1.00 0.00 A4 N -ATOM 2723 H GLN A 294 35.618 -24.747 17.967 0.00 0.00 A4 H -ATOM 2724 CA GLN A 294 35.131 -24.513 20.047 1.00 0.00 A4 C -ATOM 2725 CB GLN A 294 36.501 -24.771 20.686 1.00 0.00 A4 C -ATOM 2726 CG GLN A 294 36.848 -24.032 21.988 1.00 0.00 A4 C -ATOM 2727 CD GLN A 294 37.540 -22.717 21.676 1.00 0.00 A4 C -ATOM 2728 OE1 GLN A 294 38.432 -22.646 20.842 1.00 0.00 A4 O -ATOM 2729 NE2 GLN A 294 37.092 -21.674 22.395 1.00 0.00 A4 N -ATOM 2730 HE21 GLN A 294 36.362 -21.786 23.068 0.00 0.00 A4 H -ATOM 2731 HE22 GLN A 294 37.490 -20.766 22.260 0.00 0.00 A4 H -ATOM 2732 C GLN A 294 34.772 -23.052 19.990 1.00 0.00 A4 C -ATOM 2733 O GLN A 294 35.192 -22.321 19.105 1.00 0.00 A4 O -ATOM 2734 N SER A 295 33.969 -22.682 20.999 1.00 0.00 A4 N -ATOM 2735 H SER A 295 33.639 -23.376 21.635 0.00 0.00 A4 H -ATOM 2736 CA SER A 295 33.585 -21.291 21.187 1.00 0.00 A4 C -ATOM 2737 CB SER A 295 32.146 -21.093 20.700 1.00 0.00 A4 C -ATOM 2738 OG SER A 295 31.239 -21.846 21.508 1.00 0.00 A4 O -ATOM 2739 HG SER A 295 30.371 -21.681 21.163 0.00 0.00 A4 H -ATOM 2740 C SER A 295 33.759 -20.877 22.639 1.00 0.00 A4 C -ATOM 2741 O SER A 295 34.221 -21.644 23.473 1.00 0.00 A4 O -ATOM 2742 N PHE A 296 33.341 -19.628 22.901 1.00 0.00 A4 N -ATOM 2743 H PHE A 296 33.071 -19.024 22.153 0.00 0.00 A4 H -ATOM 2744 CA PHE A 296 33.260 -19.161 24.284 1.00 0.00 A4 C -ATOM 2745 CB PHE A 296 34.617 -18.617 24.773 1.00 0.00 A4 C -ATOM 2746 CG PHE A 296 35.034 -17.357 24.044 1.00 0.00 A4 C -ATOM 2747 CD1 PHE A 296 34.694 -16.102 24.595 1.00 0.00 A4 C -ATOM 2748 CD2 PHE A 296 35.761 -17.453 22.837 1.00 0.00 A4 C -ATOM 2749 CE1 PHE A 296 35.092 -14.923 23.936 1.00 0.00 A4 C -ATOM 2750 CE2 PHE A 296 36.157 -16.275 22.176 1.00 0.00 A4 C -ATOM 2751 CZ PHE A 296 35.824 -15.023 22.734 1.00 0.00 A4 C -ATOM 2752 C PHE A 296 32.158 -18.131 24.401 1.00 0.00 A4 C -ATOM 2753 O PHE A 296 31.675 -17.635 23.398 1.00 0.00 A4 O -ATOM 2754 N ARG A 297 31.778 -17.812 25.647 1.00 0.00 A4 N -ATOM 2755 H ARG A 297 32.156 -18.260 26.452 0.00 0.00 A4 H -ATOM 2756 CA ARG A 297 30.773 -16.763 25.754 1.00 0.00 A4 C -ATOM 2757 CB ARG A 297 29.439 -17.330 26.250 1.00 0.00 A4 C -ATOM 2758 CG ARG A 297 29.460 -17.831 27.695 1.00 0.00 A4 C -ATOM 2759 CD ARG A 297 28.096 -18.341 28.151 1.00 0.00 A4 C -ATOM 2760 NE ARG A 297 28.115 -18.640 29.579 1.00 0.00 A4 N -ATOM 2761 HE ARG A 297 28.708 -18.111 30.186 0.00 0.00 A4 H -ATOM 2762 CZ ARG A 297 27.288 -19.558 30.121 1.00 0.00 A4 C -ATOM 2763 NH1 ARG A 297 26.477 -20.305 29.373 1.00 0.00 A4 N -ATOM 2764 HH11 ARG A 297 25.877 -20.971 29.816 0.00 0.00 A4 H -ATOM 2765 HH12 ARG A 297 26.461 -20.209 28.378 0.00 0.00 A4 H -ATOM 2766 NH2 ARG A 297 27.283 -19.722 31.440 1.00 0.00 A4 N -ATOM 2767 HH21 ARG A 297 26.680 -20.399 31.860 0.00 0.00 A4 H -ATOM 2768 HH22 ARG A 297 27.886 -19.166 32.013 0.00 0.00 A4 H -ATOM 2769 C ARG A 297 31.205 -15.577 26.585 1.00 0.00 A4 C -ATOM 2770 O ARG A 297 32.055 -15.661 27.461 1.00 0.00 A4 O -ATOM 2771 N ILE A 298 30.534 -14.459 26.266 1.00 0.00 A4 N -ATOM 2772 H ILE A 298 29.938 -14.453 25.466 0.00 0.00 A4 H -ATOM 2773 CA ILE A 298 30.575 -13.318 27.168 1.00 0.00 A4 C -ATOM 2774 CB ILE A 298 31.235 -12.092 26.512 1.00 0.00 A4 C -ATOM 2775 CG2 ILE A 298 32.699 -12.389 26.179 1.00 0.00 A4 C -ATOM 2776 CG1 ILE A 298 30.478 -11.573 25.285 1.00 0.00 A4 C -ATOM 2777 CD1 ILE A 298 31.035 -10.239 24.791 1.00 0.00 A4 C -ATOM 2778 C ILE A 298 29.181 -13.004 27.675 1.00 0.00 A4 C -ATOM 2779 O ILE A 298 28.205 -13.021 26.938 1.00 0.00 A4 O -ATOM 2780 N THR A 299 29.125 -12.741 28.987 1.00 0.00 A4 N -ATOM 2781 H THR A 299 29.946 -12.727 29.554 0.00 0.00 A4 H -ATOM 2782 CA THR A 299 27.814 -12.448 29.547 1.00 0.00 A4 C -ATOM 2783 CB THR A 299 27.506 -13.410 30.701 1.00 0.00 A4 C -ATOM 2784 OG1 THR A 299 27.537 -14.755 30.210 1.00 0.00 A4 O -ATOM 2785 HG1 THR A 299 27.272 -15.316 30.927 0.00 0.00 A4 H -ATOM 2786 CG2 THR A 299 26.157 -13.139 31.373 1.00 0.00 A4 C -ATOM 2787 C THR A 299 27.676 -10.991 29.933 1.00 0.00 A4 C -ATOM 2788 O THR A 299 28.498 -10.403 30.625 1.00 0.00 A4 O -ATOM 2789 N ILE A 300 26.576 -10.444 29.389 1.00 0.00 A4 N -ATOM 2790 H ILE A 300 25.943 -11.041 28.901 0.00 0.00 A4 H -ATOM 2791 CA ILE A 300 26.273 -9.027 29.538 1.00 0.00 A4 C -ATOM 2792 CB ILE A 300 25.839 -8.449 28.176 1.00 0.00 A4 C -ATOM 2793 CG2 ILE A 300 25.590 -6.940 28.239 1.00 0.00 A4 C -ATOM 2794 CG1 ILE A 300 26.815 -8.821 27.050 1.00 0.00 A4 C -ATOM 2795 CD1 ILE A 300 28.217 -8.232 27.213 1.00 0.00 A4 C -ATOM 2796 C ILE A 300 25.189 -8.830 30.582 1.00 0.00 A4 C -ATOM 2797 O ILE A 300 24.120 -9.419 30.522 1.00 0.00 A4 O -ATOM 2798 N LEU A 301 25.523 -7.964 31.550 1.00 0.00 A4 N -ATOM 2799 H LEU A 301 26.414 -7.516 31.526 0.00 0.00 A4 H -ATOM 2800 CA LEU A 301 24.541 -7.591 32.565 1.00 0.00 A4 C -ATOM 2801 CB LEU A 301 25.300 -7.170 33.830 1.00 0.00 A4 C -ATOM 2802 CG LEU A 301 26.029 -8.315 34.538 1.00 0.00 A4 C -ATOM 2803 CD1 LEU A 301 26.855 -7.796 35.714 1.00 0.00 A4 C -ATOM 2804 CD2 LEU A 301 25.079 -9.427 34.980 1.00 0.00 A4 C -ATOM 2805 C LEU A 301 23.630 -6.477 32.064 1.00 0.00 A4 C -ATOM 2806 O LEU A 301 23.981 -5.752 31.142 1.00 0.00 A4 O -ATOM 2807 N PRO A 302 22.434 -6.348 32.705 1.00 0.00 A4 N -ATOM 2808 CD PRO A 302 21.830 -7.256 33.679 1.00 0.00 A4 C -ATOM 2809 CA PRO A 302 21.578 -5.184 32.428 1.00 0.00 A4 C -ATOM 2810 CB PRO A 302 20.324 -5.477 33.242 1.00 0.00 A4 C -ATOM 2811 CG PRO A 302 20.771 -6.405 34.363 1.00 0.00 A4 C -ATOM 2812 C PRO A 302 22.177 -3.831 32.767 1.00 0.00 A4 C -ATOM 2813 O PRO A 302 21.776 -2.819 32.215 1.00 0.00 A4 O -ATOM 2814 N GLN A 303 23.167 -3.855 33.682 1.00 0.00 A4 N -ATOM 2815 H GLN A 303 23.450 -4.725 34.083 0.00 0.00 A4 H -ATOM 2816 CA GLN A 303 23.891 -2.625 34.001 1.00 0.00 A4 C -ATOM 2817 CB GLN A 303 24.727 -2.789 35.271 1.00 0.00 A4 C -ATOM 2818 CG GLN A 303 24.015 -2.978 36.616 1.00 0.00 A4 C -ATOM 2819 CD GLN A 303 23.587 -4.409 36.888 1.00 0.00 A4 C -ATOM 2820 OE1 GLN A 303 23.702 -5.322 36.080 1.00 0.00 A4 O -ATOM 2821 NE2 GLN A 303 23.061 -4.547 38.114 1.00 0.00 A4 N -ATOM 2822 HE21 GLN A 303 23.050 -3.785 38.761 0.00 0.00 A4 H -ATOM 2823 HE22 GLN A 303 22.656 -5.413 38.402 0.00 0.00 A4 H -ATOM 2824 C GLN A 303 24.782 -2.097 32.882 1.00 0.00 A4 C -ATOM 2825 O GLN A 303 25.210 -0.949 32.899 1.00 0.00 A4 O -ATOM 2826 N GLN A 304 25.022 -2.990 31.898 1.00 0.00 A4 N -ATOM 2827 H GLN A 304 24.647 -3.914 31.958 0.00 0.00 A4 H -ATOM 2828 CA GLN A 304 25.689 -2.573 30.668 1.00 0.00 A4 C -ATOM 2829 CB GLN A 304 26.486 -3.744 30.087 1.00 0.00 A4 C -ATOM 2830 CG GLN A 304 27.751 -4.064 30.889 1.00 0.00 A4 C -ATOM 2831 CD GLN A 304 28.327 -5.404 30.470 1.00 0.00 A4 C -ATOM 2832 OE1 GLN A 304 28.044 -6.432 31.069 1.00 0.00 A4 O -ATOM 2833 NE2 GLN A 304 29.169 -5.353 29.423 1.00 0.00 A4 N -ATOM 2834 HE21 GLN A 304 29.404 -4.493 28.970 0.00 0.00 A4 H -ATOM 2835 HE22 GLN A 304 29.586 -6.198 29.087 0.00 0.00 A4 H -ATOM 2836 C GLN A 304 24.720 -2.017 29.640 1.00 0.00 A4 C -ATOM 2837 O GLN A 304 24.934 -0.945 29.086 1.00 0.00 A4 O -ATOM 2838 N TYR A 305 23.635 -2.790 29.415 1.00 0.00 A4 N -ATOM 2839 H TYR A 305 23.473 -3.627 29.940 0.00 0.00 A4 H -ATOM 2840 CA TYR A 305 22.694 -2.338 28.391 1.00 0.00 A4 C -ATOM 2841 CB TYR A 305 22.188 -3.523 27.548 1.00 0.00 A4 C -ATOM 2842 CG TYR A 305 21.232 -4.446 28.278 1.00 0.00 A4 C -ATOM 2843 CD1 TYR A 305 19.906 -4.023 28.507 1.00 0.00 A4 C -ATOM 2844 CE1 TYR A 305 19.006 -4.889 29.143 1.00 0.00 A4 C -ATOM 2845 CD2 TYR A 305 21.681 -5.721 28.679 1.00 0.00 A4 C -ATOM 2846 CE2 TYR A 305 20.777 -6.597 29.305 1.00 0.00 A4 C -ATOM 2847 CZ TYR A 305 19.452 -6.167 29.526 1.00 0.00 A4 C -ATOM 2848 OH TYR A 305 18.552 -7.015 30.136 1.00 0.00 A4 O -ATOM 2849 HH TYR A 305 18.916 -7.887 30.184 0.00 0.00 A4 H -ATOM 2850 C TYR A 305 21.575 -1.400 28.833 1.00 0.00 A4 C -ATOM 2851 O TYR A 305 20.695 -1.054 28.056 1.00 0.00 A4 O -ATOM 2852 N LEU A 306 21.664 -0.986 30.112 1.00 0.00 A4 N -ATOM 2853 H LEU A 306 22.355 -1.373 30.721 0.00 0.00 A4 H -ATOM 2854 CA LEU A 306 20.832 0.126 30.567 1.00 0.00 A4 C -ATOM 2855 CB LEU A 306 19.904 -0.260 31.724 1.00 0.00 A4 C -ATOM 2856 CG LEU A 306 18.884 -1.365 31.434 1.00 0.00 A4 C -ATOM 2857 CD1 LEU A 306 18.085 -1.703 32.692 1.00 0.00 A4 C -ATOM 2858 CD2 LEU A 306 17.962 -1.034 30.257 1.00 0.00 A4 C -ATOM 2859 C LEU A 306 21.721 1.271 30.992 1.00 0.00 A4 C -ATOM 2860 O LEU A 306 22.171 1.365 32.128 1.00 0.00 A4 O -ATOM 2861 N ARG A 307 21.969 2.123 29.983 1.00 0.00 A4 N -ATOM 2862 H ARG A 307 21.502 1.980 29.111 0.00 0.00 A4 H -ATOM 2863 CA ARG A 307 22.932 3.211 30.129 1.00 0.00 A4 C -ATOM 2864 CB ARG A 307 23.318 3.695 28.730 1.00 0.00 A4 C -ATOM 2865 CG ARG A 307 24.474 4.691 28.739 1.00 0.00 A4 C -ATOM 2866 CD ARG A 307 24.887 5.163 27.345 1.00 0.00 A4 C -ATOM 2867 NE ARG A 307 23.801 5.837 26.630 1.00 0.00 A4 N -ATOM 2868 HE ARG A 307 23.221 5.327 25.996 0.00 0.00 A4 H -ATOM 2869 CZ ARG A 307 23.564 7.157 26.798 1.00 0.00 A4 C -ATOM 2870 NH1 ARG A 307 24.264 7.889 27.665 1.00 0.00 A4 N -ATOM 2871 HH11 ARG A 307 24.065 8.864 27.765 0.00 0.00 A4 H -ATOM 2872 HH12 ARG A 307 24.986 7.473 28.218 0.00 0.00 A4 H -ATOM 2873 NH2 ARG A 307 22.611 7.743 26.078 1.00 0.00 A4 N -ATOM 2874 HH21 ARG A 307 22.429 8.719 26.198 0.00 0.00 A4 H -ATOM 2875 HH22 ARG A 307 22.078 7.215 25.417 0.00 0.00 A4 H -ATOM 2876 C ARG A 307 22.448 4.367 30.992 1.00 0.00 A4 C -ATOM 2877 O ARG A 307 21.452 5.007 30.691 1.00 0.00 A4 O -ATOM 2878 N PRO A 308 23.205 4.636 32.088 1.00 0.00 A4 N -ATOM 2879 CD PRO A 308 24.414 3.947 32.531 1.00 0.00 A4 C -ATOM 2880 CA PRO A 308 22.817 5.736 32.976 1.00 0.00 A4 C -ATOM 2881 CB PRO A 308 23.742 5.533 34.180 1.00 0.00 A4 C -ATOM 2882 CG PRO A 308 24.989 4.858 33.609 1.00 0.00 A4 C -ATOM 2883 C PRO A 308 22.949 7.101 32.325 1.00 0.00 A4 C -ATOM 2884 O PRO A 308 23.954 7.452 31.716 1.00 0.00 A4 O -ATOM 2885 N VAL A 309 21.843 7.845 32.482 1.00 0.00 A4 N -ATOM 2886 H VAL A 309 21.060 7.481 32.982 0.00 0.00 A4 H -ATOM 2887 CA VAL A 309 21.807 9.199 31.942 1.00 0.00 A4 C -ATOM 2888 CB VAL A 309 20.797 9.298 30.785 1.00 0.00 A4 C -ATOM 2889 CG1 VAL A 309 21.263 8.488 29.575 1.00 0.00 A4 C -ATOM 2890 CG2 VAL A 309 19.387 8.881 31.205 1.00 0.00 A4 C -ATOM 2891 C VAL A 309 21.506 10.210 33.029 1.00 0.00 A4 C -ATOM 2892 O VAL A 309 20.788 9.939 33.986 1.00 0.00 A4 O -ATOM 2893 N GLU A 310 22.105 11.401 32.826 1.00 0.00 A4 N -ATOM 2894 H GLU A 310 22.697 11.528 32.031 0.00 0.00 A4 H -ATOM 2895 CA GLU A 310 21.864 12.499 33.762 1.00 0.00 A4 C -ATOM 2896 CB GLU A 310 22.787 13.684 33.448 1.00 0.00 A4 C -ATOM 2897 CG GLU A 310 24.294 13.385 33.513 1.00 0.00 A4 C -ATOM 2898 CD GLU A 310 24.835 13.415 34.935 1.00 0.00 A4 C -ATOM 2899 OE1 GLU A 310 24.305 12.721 35.803 1.00 0.00 A4 O -ATOM 2900 OE2 GLU A 310 25.807 14.133 35.167 1.00 0.00 A4 O -ATOM 2901 C GLU A 310 20.420 12.955 33.758 1.00 0.00 A4 C -ATOM 2902 O GLU A 310 19.830 13.216 32.716 1.00 0.00 A4 O -ATOM 2903 N ASP A 311 19.888 13.024 34.995 1.00 0.00 A4 N -ATOM 2904 H ASP A 311 20.447 12.770 35.783 0.00 0.00 A4 H -ATOM 2905 CA ASP A 311 18.511 13.475 35.187 1.00 0.00 A4 C -ATOM 2906 CB ASP A 311 18.127 13.276 36.661 1.00 0.00 A4 C -ATOM 2907 CG ASP A 311 16.624 13.282 36.897 1.00 0.00 A4 C -ATOM 2908 OD1 ASP A 311 15.953 14.227 36.488 1.00 0.00 A4 O -ATOM 2909 OD2 ASP A 311 16.132 12.343 37.520 1.00 0.00 A4 O -ATOM 2910 C ASP A 311 18.318 14.914 34.737 1.00 0.00 A4 C -ATOM 2911 O ASP A 311 18.772 15.857 35.373 1.00 0.00 A4 O -ATOM 2912 N VAL A 312 17.616 15.011 33.587 1.00 0.00 A4 N -ATOM 2913 H VAL A 312 17.295 14.165 33.162 0.00 0.00 A4 H -ATOM 2914 CA VAL A 312 17.362 16.307 32.943 1.00 0.00 A4 C -ATOM 2915 CB VAL A 312 16.593 16.097 31.621 1.00 0.00 A4 C -ATOM 2916 CG1 VAL A 312 16.423 17.399 30.829 1.00 0.00 A4 C -ATOM 2917 CG2 VAL A 312 17.251 15.021 30.750 1.00 0.00 A4 C -ATOM 2918 C VAL A 312 16.655 17.319 33.844 1.00 0.00 A4 C -ATOM 2919 O VAL A 312 16.883 18.521 33.775 1.00 0.00 A4 O -ATOM 2920 N ALA A 313 15.808 16.749 34.724 1.00 0.00 A4 N -ATOM 2921 H ALA A 313 15.690 15.756 34.731 0.00 0.00 A4 H -ATOM 2922 CA ALA A 313 15.154 17.573 35.736 1.00 0.00 A4 C -ATOM 2923 CB ALA A 313 13.676 17.172 35.825 1.00 0.00 A4 C -ATOM 2924 C ALA A 313 15.886 17.528 37.081 1.00 0.00 A4 C -ATOM 2925 O ALA A 313 17.034 17.947 37.163 1.00 0.00 A4 O -ATOM 2926 N THR A 314 15.198 17.014 38.129 1.00 0.00 A4 N -ATOM 2927 H THR A 314 14.284 16.621 38.046 0.00 0.00 A4 H -ATOM 2928 CA THR A 314 15.851 16.924 39.435 1.00 0.00 A4 C -ATOM 2929 CB THR A 314 14.807 17.138 40.545 1.00 0.00 A4 C -ATOM 2930 OG1 THR A 314 14.183 18.416 40.392 1.00 0.00 A4 O -ATOM 2931 HG1 THR A 314 13.543 18.490 41.088 0.00 0.00 A4 H -ATOM 2932 CG2 THR A 314 15.379 16.999 41.961 1.00 0.00 A4 C -ATOM 2933 C THR A 314 16.548 15.588 39.611 1.00 0.00 A4 C -ATOM 2934 O THR A 314 15.918 14.541 39.532 1.00 0.00 A4 O -ATOM 2935 N SER A 315 17.872 15.691 39.869 1.00 0.00 A4 N -ATOM 2936 H SER A 315 18.296 16.596 39.857 0.00 0.00 A4 H -ATOM 2937 CA SER A 315 18.688 14.510 40.172 1.00 0.00 A4 C -ATOM 2938 CB SER A 315 20.177 14.853 40.093 1.00 0.00 A4 C -ATOM 2939 OG SER A 315 20.486 15.391 38.806 1.00 0.00 A4 O -ATOM 2940 HG SER A 315 21.401 15.638 38.832 0.00 0.00 A4 H -ATOM 2941 C SER A 315 18.375 13.851 41.506 1.00 0.00 A4 C -ATOM 2942 O SER A 315 19.041 14.044 42.516 1.00 0.00 A4 O -ATOM 2943 N GLN A 316 17.302 13.050 41.428 1.00 0.00 A4 N -ATOM 2944 H GLN A 316 16.846 12.949 40.545 0.00 0.00 A4 H -ATOM 2945 CA GLN A 316 16.756 12.351 42.588 1.00 0.00 A4 C -ATOM 2946 CB GLN A 316 15.449 13.030 43.002 1.00 0.00 A4 C -ATOM 2947 CG GLN A 316 14.870 12.559 44.343 1.00 0.00 A4 C -ATOM 2948 CD GLN A 316 13.469 13.094 44.628 1.00 0.00 A4 C -ATOM 2949 OE1 GLN A 316 12.873 12.736 45.636 1.00 0.00 A4 O -ATOM 2950 NE2 GLN A 316 12.947 13.949 43.722 1.00 0.00 A4 N -ATOM 2951 HE21 GLN A 316 13.402 14.267 42.891 0.00 0.00 A4 H -ATOM 2952 HE22 GLN A 316 12.027 14.303 43.884 0.00 0.00 A4 H -ATOM 2953 C GLN A 316 16.511 10.884 42.274 1.00 0.00 A4 C -ATOM 2954 O GLN A 316 16.382 10.040 43.152 1.00 0.00 A4 O -ATOM 2955 N ASP A 317 16.444 10.634 40.952 1.00 0.00 A4 N -ATOM 2956 H ASP A 317 16.561 11.362 40.278 0.00 0.00 A4 H -ATOM 2957 CA ASP A 317 16.125 9.296 40.479 1.00 0.00 A4 C -ATOM 2958 CB ASP A 317 14.734 9.311 39.830 1.00 0.00 A4 C -ATOM 2959 CG ASP A 317 13.652 9.703 40.825 1.00 0.00 A4 C -ATOM 2960 OD1 ASP A 317 13.630 9.164 41.930 1.00 0.00 A4 O -ATOM 2961 OD2 ASP A 317 12.831 10.553 40.486 1.00 0.00 A4 O -ATOM 2962 C ASP A 317 17.167 8.811 39.493 1.00 0.00 A4 C -ATOM 2963 O ASP A 317 17.688 9.578 38.692 1.00 0.00 A4 O -ATOM 2964 N ASP A 318 17.440 7.493 39.581 1.00 0.00 A4 N -ATOM 2965 H ASP A 318 17.006 6.928 40.283 0.00 0.00 A4 H -ATOM 2966 CA ASP A 318 18.319 6.891 38.578 1.00 0.00 A4 C -ATOM 2967 CB ASP A 318 18.910 5.567 39.067 1.00 0.00 A4 C -ATOM 2968 CG ASP A 318 19.775 5.731 40.303 1.00 0.00 A4 C -ATOM 2969 OD1 ASP A 318 20.531 6.700 40.388 1.00 0.00 A4 O -ATOM 2970 OD2 ASP A 318 19.697 4.869 41.174 1.00 0.00 A4 O -ATOM 2971 C ASP A 318 17.620 6.652 37.256 1.00 0.00 A4 C -ATOM 2972 O ASP A 318 16.670 5.886 37.152 1.00 0.00 A4 O -ATOM 2973 N CYS A 319 18.156 7.361 36.249 1.00 0.00 A4 N -ATOM 2974 H CYS A 319 18.959 7.934 36.411 0.00 0.00 A4 H -ATOM 2975 CA CYS A 319 17.558 7.249 34.924 1.00 0.00 A4 C -ATOM 2976 CB CYS A 319 17.189 8.638 34.408 1.00 0.00 A4 C -ATOM 2977 SG CYS A 319 16.124 9.593 35.525 1.00 0.00 A4 S -ATOM 2978 C CYS A 319 18.462 6.513 33.954 1.00 0.00 A4 C -ATOM 2979 O CYS A 319 19.678 6.515 34.093 1.00 0.00 A4 O -ATOM 2980 N TYR A 320 17.799 5.852 32.982 1.00 0.00 A4 N -ATOM 2981 H TYR A 320 16.803 5.908 32.945 0.00 0.00 A4 H -ATOM 2982 CA TYR A 320 18.519 4.988 32.044 1.00 0.00 A4 C -ATOM 2983 CB TYR A 320 18.541 3.517 32.501 1.00 0.00 A4 C -ATOM 2984 CG TYR A 320 19.030 3.338 33.922 1.00 0.00 A4 C -ATOM 2985 CD1 TYR A 320 18.083 3.337 34.966 1.00 0.00 A4 C -ATOM 2986 CE1 TYR A 320 18.522 3.168 36.287 1.00 0.00 A4 C -ATOM 2987 CD2 TYR A 320 20.408 3.170 34.169 1.00 0.00 A4 C -ATOM 2988 CE2 TYR A 320 20.848 2.995 35.492 1.00 0.00 A4 C -ATOM 2989 CZ TYR A 320 19.898 2.994 36.534 1.00 0.00 A4 C -ATOM 2990 OH TYR A 320 20.320 2.814 37.836 1.00 0.00 A4 O -ATOM 2991 HH TYR A 320 21.241 2.596 37.856 0.00 0.00 A4 H -ATOM 2992 C TYR A 320 17.895 5.019 30.661 1.00 0.00 A4 C -ATOM 2993 O TYR A 320 16.696 5.204 30.504 1.00 0.00 A4 O -ATOM 2994 N LYS A 321 18.765 4.788 29.663 1.00 0.00 A4 N -ATOM 2995 H LYS A 321 19.738 4.686 29.850 0.00 0.00 A4 H -ATOM 2996 CA LYS A 321 18.253 4.517 28.324 1.00 0.00 A4 C -ATOM 2997 CB LYS A 321 18.841 5.471 27.281 1.00 0.00 A4 C -ATOM 2998 CG LYS A 321 18.234 6.875 27.259 1.00 0.00 A4 C -ATOM 2999 CD LYS A 321 18.682 7.628 26.002 1.00 0.00 A4 C -ATOM 3000 CE LYS A 321 18.037 9.004 25.815 1.00 0.00 A4 C -ATOM 3001 NZ LYS A 321 18.558 9.962 26.801 1.00 0.00 A4 N -ATOM 3002 HZ1 LYS A 321 18.083 10.878 26.666 0.00 0.00 A4 H -ATOM 3003 HZ2 LYS A 321 18.378 9.615 27.764 0.00 0.00 A4 H -ATOM 3004 HZ3 LYS A 321 19.581 10.083 26.658 0.00 0.00 A4 H -ATOM 3005 C LYS A 321 18.563 3.096 27.909 1.00 0.00 A4 C -ATOM 3006 O LYS A 321 19.556 2.505 28.312 1.00 0.00 A4 O -ATOM 3007 N PHE A 322 17.655 2.589 27.055 1.00 0.00 A4 N -ATOM 3008 H PHE A 322 16.857 3.137 26.806 0.00 0.00 A4 H -ATOM 3009 CA PHE A 322 17.884 1.281 26.445 1.00 0.00 A4 C -ATOM 3010 CB PHE A 322 16.552 0.758 25.899 1.00 0.00 A4 C -ATOM 3011 CG PHE A 322 16.576 -0.706 25.520 1.00 0.00 A4 C -ATOM 3012 CD1 PHE A 322 16.923 -1.689 26.474 1.00 0.00 A4 C -ATOM 3013 CD2 PHE A 322 16.206 -1.064 24.206 1.00 0.00 A4 C -ATOM 3014 CE1 PHE A 322 16.872 -3.050 26.114 1.00 0.00 A4 C -ATOM 3015 CE2 PHE A 322 16.152 -2.423 23.845 1.00 0.00 A4 C -ATOM 3016 CZ PHE A 322 16.473 -3.404 24.807 1.00 0.00 A4 C -ATOM 3017 C PHE A 322 18.962 1.339 25.379 1.00 0.00 A4 C -ATOM 3018 O PHE A 322 18.793 1.895 24.300 1.00 0.00 A4 O -ATOM 3019 N ALA A 323 20.100 0.739 25.773 1.00 0.00 A4 N -ATOM 3020 H ALA A 323 20.115 0.250 26.642 0.00 0.00 A4 H -ATOM 3021 CA ALA A 323 21.286 0.780 24.925 1.00 0.00 A4 C -ATOM 3022 CB ALA A 323 22.541 0.954 25.786 1.00 0.00 A4 C -ATOM 3023 C ALA A 323 21.442 -0.430 24.020 1.00 0.00 A4 C -ATOM 3024 O ALA A 323 22.537 -0.915 23.767 1.00 0.00 A4 O -ATOM 3025 N ILE A 324 20.268 -0.877 23.528 1.00 0.00 A4 N -ATOM 3026 H ILE A 324 19.412 -0.506 23.885 0.00 0.00 A4 H -ATOM 3027 CA ILE A 324 20.228 -1.833 22.424 1.00 0.00 A4 C -ATOM 3028 CB ILE A 324 19.747 -3.218 22.894 1.00 0.00 A4 C -ATOM 3029 CG2 ILE A 324 19.696 -4.228 21.741 1.00 0.00 A4 C -ATOM 3030 CG1 ILE A 324 20.590 -3.747 24.055 1.00 0.00 A4 C -ATOM 3031 CD1 ILE A 324 20.032 -5.041 24.647 1.00 0.00 A4 C -ATOM 3032 C ILE A 324 19.307 -1.296 21.343 1.00 0.00 A4 C -ATOM 3033 O ILE A 324 18.150 -0.977 21.592 1.00 0.00 A4 O -ATOM 3034 N SER A 325 19.882 -1.208 20.130 1.00 0.00 A4 N -ATOM 3035 H SER A 325 20.843 -1.452 20.006 0.00 0.00 A4 H -ATOM 3036 CA SER A 325 19.088 -0.688 19.020 1.00 0.00 A4 C -ATOM 3037 CB SER A 325 19.422 0.787 18.784 1.00 0.00 A4 C -ATOM 3038 OG SER A 325 20.829 0.940 18.579 1.00 0.00 A4 O -ATOM 3039 HG SER A 325 20.997 1.873 18.564 0.00 0.00 A4 H -ATOM 3040 C SER A 325 19.225 -1.505 17.750 1.00 0.00 A4 C -ATOM 3041 O SER A 325 20.123 -2.321 17.606 1.00 0.00 A4 O -ATOM 3042 N GLN A 326 18.268 -1.240 16.837 1.00 0.00 A4 N -ATOM 3043 H GLN A 326 17.569 -0.556 17.044 0.00 0.00 A4 H -ATOM 3044 CA GLN A 326 18.261 -1.937 15.551 1.00 0.00 A4 C -ATOM 3045 CB GLN A 326 16.867 -1.830 14.922 1.00 0.00 A4 C -ATOM 3046 CG GLN A 326 16.579 -2.844 13.806 1.00 0.00 A4 C -ATOM 3047 CD GLN A 326 15.205 -2.620 13.200 1.00 0.00 A4 C -ATOM 3048 OE1 GLN A 326 15.041 -2.577 11.986 1.00 0.00 A4 O -ATOM 3049 NE2 GLN A 326 14.215 -2.499 14.104 1.00 0.00 A4 N -ATOM 3050 HE21 GLN A 326 14.400 -2.509 15.086 0.00 0.00 A4 H -ATOM 3051 HE22 GLN A 326 13.267 -2.393 13.803 0.00 0.00 A4 H -ATOM 3052 C GLN A 326 19.329 -1.444 14.588 1.00 0.00 A4 C -ATOM 3053 O GLN A 326 19.688 -0.273 14.554 1.00 0.00 A4 O -ATOM 3054 N SER A 327 19.811 -2.425 13.807 1.00 0.00 A4 N -ATOM 3055 H SER A 327 19.455 -3.351 13.919 0.00 0.00 A4 H -ATOM 3056 CA SER A 327 20.806 -2.152 12.780 1.00 0.00 A4 C -ATOM 3057 CB SER A 327 22.159 -2.724 13.206 1.00 0.00 A4 C -ATOM 3058 OG SER A 327 23.171 -2.351 12.266 1.00 0.00 A4 O -ATOM 3059 HG SER A 327 23.941 -2.860 12.476 0.00 0.00 A4 H -ATOM 3060 C SER A 327 20.382 -2.734 11.448 1.00 0.00 A4 C -ATOM 3061 O SER A 327 19.712 -3.758 11.367 1.00 0.00 A4 O -ATOM 3062 N SER A 328 20.832 -2.019 10.403 1.00 0.00 A4 N -ATOM 3063 H SER A 328 21.339 -1.172 10.562 0.00 0.00 A4 H -ATOM 3064 CA SER A 328 20.659 -2.539 9.050 1.00 0.00 A4 C -ATOM 3065 CB SER A 328 19.845 -1.545 8.216 1.00 0.00 A4 C -ATOM 3066 OG SER A 328 20.511 -0.278 8.173 1.00 0.00 A4 O -ATOM 3067 HG SER A 328 19.953 0.308 7.679 0.00 0.00 A4 H -ATOM 3068 C SER A 328 21.973 -2.900 8.367 1.00 0.00 A4 C -ATOM 3069 O SER A 328 22.022 -3.154 7.169 1.00 0.00 A4 O -ATOM 3070 N THR A 329 23.041 -2.890 9.197 1.00 0.00 A4 N -ATOM 3071 H THR A 329 22.920 -2.699 10.169 0.00 0.00 A4 H -ATOM 3072 CA THR A 329 24.396 -3.137 8.702 1.00 0.00 A4 C -ATOM 3073 CB THR A 329 25.174 -1.817 8.572 1.00 0.00 A4 C -ATOM 3074 OG1 THR A 329 25.235 -1.153 9.838 1.00 0.00 A4 O -ATOM 3075 HG1 THR A 329 25.737 -0.360 9.706 0.00 0.00 A4 H -ATOM 3076 CG2 THR A 329 24.598 -0.881 7.505 1.00 0.00 A4 C -ATOM 3077 C THR A 329 25.178 -4.115 9.572 1.00 0.00 A4 C -ATOM 3078 O THR A 329 26.397 -4.049 9.669 1.00 0.00 A4 O -ATOM 3079 N GLY A 330 24.412 -5.026 10.208 1.00 0.00 A4 N -ATOM 3080 H GLY A 330 23.417 -5.007 10.109 0.00 0.00 A4 H -ATOM 3081 CA GLY A 330 25.063 -6.033 11.044 1.00 0.00 A4 C -ATOM 3082 C GLY A 330 25.124 -5.713 12.526 1.00 0.00 A4 C -ATOM 3083 O GLY A 330 24.794 -4.623 12.971 1.00 0.00 A4 O -ATOM 3084 N THR A 331 25.592 -6.734 13.274 1.00 0.00 A4 N -ATOM 3085 H THR A 331 25.826 -7.604 12.839 0.00 0.00 A4 H -ATOM 3086 CA THR A 331 25.830 -6.532 14.704 1.00 0.00 A4 C -ATOM 3087 CB THR A 331 26.003 -7.886 15.415 1.00 0.00 A4 C -ATOM 3088 OG1 THR A 331 24.857 -8.702 15.178 1.00 0.00 A4 O -ATOM 3089 HG1 THR A 331 25.009 -9.523 15.628 0.00 0.00 A4 H -ATOM 3090 CG2 THR A 331 26.246 -7.778 16.925 1.00 0.00 A4 C -ATOM 3091 C THR A 331 27.009 -5.617 14.981 1.00 0.00 A4 C -ATOM 3092 O THR A 331 28.048 -5.680 14.338 1.00 0.00 A4 O -ATOM 3093 N VAL A 332 26.769 -4.750 15.982 1.00 0.00 A4 N -ATOM 3094 H VAL A 332 25.865 -4.727 16.401 0.00 0.00 A4 H -ATOM 3095 CA VAL A 332 27.825 -3.891 16.499 1.00 0.00 A4 C -ATOM 3096 CB VAL A 332 27.584 -2.427 16.104 1.00 0.00 A4 C -ATOM 3097 CG1 VAL A 332 28.748 -1.551 16.561 1.00 0.00 A4 C -ATOM 3098 CG2 VAL A 332 27.323 -2.251 14.605 1.00 0.00 A4 C -ATOM 3099 C VAL A 332 27.932 -4.028 18.009 1.00 0.00 A4 C -ATOM 3100 O VAL A 332 27.086 -3.579 18.770 1.00 0.00 A4 O -ATOM 3101 N MET A 333 29.048 -4.663 18.398 1.00 0.00 A4 N -ATOM 3102 H MET A 333 29.663 -5.014 17.697 0.00 0.00 A4 H -ATOM 3103 CA MET A 333 29.405 -4.743 19.813 1.00 0.00 A4 C -ATOM 3104 CB MET A 333 30.295 -5.964 20.047 1.00 0.00 A4 C -ATOM 3105 CG MET A 333 29.579 -7.270 19.695 1.00 0.00 A4 C -ATOM 3106 SD MET A 333 30.685 -8.689 19.620 1.00 0.00 A4 S -ATOM 3107 CE MET A 333 31.252 -8.684 21.326 1.00 0.00 A4 C -ATOM 3108 C MET A 333 30.077 -3.473 20.294 1.00 0.00 A4 C -ATOM 3109 O MET A 333 31.295 -3.334 20.296 1.00 0.00 A4 O -ATOM 3110 N GLY A 334 29.190 -2.539 20.689 1.00 0.00 A4 N -ATOM 3111 H GLY A 334 28.214 -2.758 20.706 0.00 0.00 A4 H -ATOM 3112 CA GLY A 334 29.661 -1.213 21.069 1.00 0.00 A4 C -ATOM 3113 C GLY A 334 30.290 -1.135 22.442 1.00 0.00 A4 C -ATOM 3114 O GLY A 334 30.598 -2.135 23.076 1.00 0.00 A4 O -ATOM 3115 N ALA A 335 30.453 0.134 22.856 1.00 0.00 A4 N -ATOM 3116 H ALA A 335 30.204 0.863 22.229 0.00 0.00 A4 H -ATOM 3117 CA ALA A 335 31.055 0.495 24.135 1.00 0.00 A4 C -ATOM 3118 CB ALA A 335 31.080 2.016 24.298 1.00 0.00 A4 C -ATOM 3119 C ALA A 335 30.402 -0.111 25.358 1.00 0.00 A4 C -ATOM 3120 O ALA A 335 31.096 -0.522 26.274 1.00 0.00 A4 O -ATOM 3121 N VAL A 336 29.051 -0.175 25.330 1.00 0.00 A4 N -ATOM 3122 H VAL A 336 28.545 0.165 24.538 0.00 0.00 A4 H -ATOM 3123 CA VAL A 336 28.360 -0.804 26.461 1.00 0.00 A4 C -ATOM 3124 CB VAL A 336 26.847 -0.517 26.447 1.00 0.00 A4 C -ATOM 3125 CG1 VAL A 336 26.586 0.986 26.558 1.00 0.00 A4 C -ATOM 3126 CG2 VAL A 336 26.115 -1.157 25.261 1.00 0.00 A4 C -ATOM 3127 C VAL A 336 28.626 -2.293 26.638 1.00 0.00 A4 C -ATOM 3128 O VAL A 336 28.554 -2.827 27.737 1.00 0.00 A4 O -ATOM 3129 N ILE A 337 28.974 -2.925 25.499 1.00 0.00 A4 N -ATOM 3130 H ILE A 337 29.008 -2.415 24.639 0.00 0.00 A4 H -ATOM 3131 CA ILE A 337 29.395 -4.324 25.530 1.00 0.00 A4 C -ATOM 3132 CB ILE A 337 29.188 -4.948 24.139 1.00 0.00 A4 C -ATOM 3133 CG2 ILE A 337 29.670 -6.399 24.049 1.00 0.00 A4 C -ATOM 3134 CG1 ILE A 337 27.723 -4.820 23.713 1.00 0.00 A4 C -ATOM 3135 CD1 ILE A 337 26.766 -5.610 24.609 1.00 0.00 A4 C -ATOM 3136 C ILE A 337 30.828 -4.490 26.014 1.00 0.00 A4 C -ATOM 3137 O ILE A 337 31.134 -5.372 26.804 1.00 0.00 A4 O -ATOM 3138 N MET A 338 31.684 -3.575 25.511 1.00 0.00 A4 N -ATOM 3139 H MET A 338 31.340 -2.863 24.899 0.00 0.00 A4 H -ATOM 3140 CA MET A 338 33.104 -3.598 25.870 1.00 0.00 A4 C -ATOM 3141 CB MET A 338 33.902 -2.723 24.905 1.00 0.00 A4 C -ATOM 3142 CG MET A 338 33.788 -3.149 23.440 1.00 0.00 A4 C -ATOM 3143 SD MET A 338 34.653 -2.034 22.322 1.00 0.00 A4 S -ATOM 3144 CE MET A 338 36.327 -2.318 22.917 1.00 0.00 A4 C -ATOM 3145 C MET A 338 33.430 -3.210 27.305 1.00 0.00 A4 C -ATOM 3146 O MET A 338 34.459 -3.600 27.843 1.00 0.00 A4 O -ATOM 3147 N GLU A 339 32.491 -2.439 27.900 1.00 0.00 A4 N -ATOM 3148 H GLU A 339 31.694 -2.151 27.373 0.00 0.00 A4 H -ATOM 3149 CA GLU A 339 32.598 -2.058 29.311 1.00 0.00 A4 C -ATOM 3150 CB GLU A 339 31.481 -1.091 29.696 1.00 0.00 A4 C -ATOM 3151 CG GLU A 339 31.671 0.338 29.181 1.00 0.00 A4 C -ATOM 3152 CD GLU A 339 30.416 1.181 29.378 1.00 0.00 A4 C -ATOM 3153 OE1 GLU A 339 30.318 2.230 28.743 1.00 0.00 A4 O -ATOM 3154 OE2 GLU A 339 29.537 0.794 30.150 1.00 0.00 A4 O -ATOM 3155 C GLU A 339 32.547 -3.242 30.249 1.00 0.00 A4 C -ATOM 3156 O GLU A 339 31.691 -4.111 30.144 1.00 0.00 A4 O -ATOM 3157 N GLY A 340 33.528 -3.237 31.169 1.00 0.00 A4 N -ATOM 3158 H GLY A 340 34.227 -2.522 31.162 0.00 0.00 A4 H -ATOM 3159 CA GLY A 340 33.613 -4.385 32.069 1.00 0.00 A4 C -ATOM 3160 C GLY A 340 34.357 -5.587 31.507 1.00 0.00 A4 C -ATOM 3161 O GLY A 340 34.505 -6.605 32.172 1.00 0.00 A4 O -ATOM 3162 N PHE A 341 34.839 -5.408 30.257 1.00 0.00 A4 N -ATOM 3163 H PHE A 341 34.587 -4.598 29.729 0.00 0.00 A4 H -ATOM 3164 CA PHE A 341 35.775 -6.372 29.687 1.00 0.00 A4 C -ATOM 3165 CB PHE A 341 35.186 -7.114 28.480 1.00 0.00 A4 C -ATOM 3166 CG PHE A 341 33.928 -7.874 28.831 1.00 0.00 A4 C -ATOM 3167 CD1 PHE A 341 32.697 -7.413 28.320 1.00 0.00 A4 C -ATOM 3168 CD2 PHE A 341 33.995 -9.030 29.640 1.00 0.00 A4 C -ATOM 3169 CE1 PHE A 341 31.516 -8.123 28.608 1.00 0.00 A4 C -ATOM 3170 CE2 PHE A 341 32.813 -9.741 29.930 1.00 0.00 A4 C -ATOM 3171 CZ PHE A 341 31.586 -9.284 29.405 1.00 0.00 A4 C -ATOM 3172 C PHE A 341 37.069 -5.712 29.254 1.00 0.00 A4 C -ATOM 3173 O PHE A 341 37.123 -4.542 28.894 1.00 0.00 A4 O -ATOM 3174 N TYR A 342 38.110 -6.560 29.293 1.00 0.00 A4 N -ATOM 3175 H TYR A 342 37.971 -7.476 29.660 0.00 0.00 A4 H -ATOM 3176 CA TYR A 342 39.403 -6.206 28.721 1.00 0.00 A4 C -ATOM 3177 CB TYR A 342 40.491 -6.647 29.702 1.00 0.00 A4 C -ATOM 3178 CG TYR A 342 41.865 -6.153 29.312 1.00 0.00 A4 C -ATOM 3179 CD1 TYR A 342 42.123 -4.767 29.271 1.00 0.00 A4 C -ATOM 3180 CE1 TYR A 342 43.426 -4.328 28.985 1.00 0.00 A4 C -ATOM 3181 CD2 TYR A 342 42.861 -7.108 29.032 1.00 0.00 A4 C -ATOM 3182 CE2 TYR A 342 44.163 -6.670 28.751 1.00 0.00 A4 C -ATOM 3183 CZ TYR A 342 44.430 -5.287 28.748 1.00 0.00 A4 C -ATOM 3184 OH TYR A 342 45.715 -4.857 28.504 1.00 0.00 A4 O -ATOM 3185 HH TYR A 342 46.281 -5.599 28.340 0.00 0.00 A4 H -ATOM 3186 C TYR A 342 39.559 -6.849 27.355 1.00 0.00 A4 C -ATOM 3187 O TYR A 342 39.498 -8.062 27.197 1.00 0.00 A4 O -ATOM 3188 N VAL A 343 39.714 -5.951 26.365 1.00 0.00 A4 N -ATOM 3189 H VAL A 343 39.856 -4.989 26.589 0.00 0.00 A4 H -ATOM 3190 CA VAL A 343 39.602 -6.402 24.980 1.00 0.00 A4 C -ATOM 3191 CB VAL A 343 38.418 -5.721 24.272 1.00 0.00 A4 C -ATOM 3192 CG1 VAL A 343 38.162 -6.352 22.903 1.00 0.00 A4 C -ATOM 3193 CG2 VAL A 343 37.142 -5.742 25.116 1.00 0.00 A4 C -ATOM 3194 C VAL A 343 40.878 -6.209 24.186 1.00 0.00 A4 C -ATOM 3195 O VAL A 343 41.274 -5.102 23.853 1.00 0.00 A4 O -ATOM 3196 N VAL A 344 41.499 -7.361 23.884 1.00 0.00 A4 N -ATOM 3197 H VAL A 344 41.088 -8.238 24.126 0.00 0.00 A4 H -ATOM 3198 CA VAL A 344 42.748 -7.292 23.134 1.00 0.00 A4 C -ATOM 3199 CB VAL A 344 43.721 -8.376 23.618 1.00 0.00 A4 C -ATOM 3200 CG1 VAL A 344 45.085 -8.256 22.932 1.00 0.00 A4 C -ATOM 3201 CG2 VAL A 344 43.853 -8.349 25.144 1.00 0.00 A4 C -ATOM 3202 C VAL A 344 42.544 -7.364 21.633 1.00 0.00 A4 C -ATOM 3203 O VAL A 344 42.039 -8.324 21.077 1.00 0.00 A4 O -ATOM 3204 N PHE A 345 42.991 -6.282 20.993 1.00 0.00 A4 N -ATOM 3205 H PHE A 345 43.338 -5.527 21.542 0.00 0.00 A4 H -ATOM 3206 CA PHE A 345 43.026 -6.267 19.534 1.00 0.00 A4 C -ATOM 3207 CB PHE A 345 42.659 -4.882 19.000 1.00 0.00 A4 C -ATOM 3208 CG PHE A 345 41.257 -4.492 19.412 1.00 0.00 A4 C -ATOM 3209 CD1 PHE A 345 40.202 -4.663 18.490 1.00 0.00 A4 C -ATOM 3210 CD2 PHE A 345 41.022 -3.958 20.699 1.00 0.00 A4 C -ATOM 3211 CE1 PHE A 345 38.894 -4.293 18.857 1.00 0.00 A4 C -ATOM 3212 CE2 PHE A 345 39.715 -3.591 21.069 1.00 0.00 A4 C -ATOM 3213 CZ PHE A 345 38.665 -3.760 20.143 1.00 0.00 A4 C -ATOM 3214 C PHE A 345 44.378 -6.705 19.012 1.00 0.00 A4 C -ATOM 3215 O PHE A 345 45.236 -5.904 18.663 1.00 0.00 A4 O -ATOM 3216 N ASP A 346 44.509 -8.046 18.996 1.00 0.00 A4 N -ATOM 3217 H ASP A 346 43.721 -8.607 19.246 0.00 0.00 A4 H -ATOM 3218 CA ASP A 346 45.753 -8.673 18.556 1.00 0.00 A4 C -ATOM 3219 CB ASP A 346 45.922 -10.025 19.271 1.00 0.00 A4 C -ATOM 3220 CG ASP A 346 47.338 -10.589 19.202 1.00 0.00 A4 C -ATOM 3221 OD1 ASP A 346 48.151 -10.117 18.407 1.00 0.00 A4 O -ATOM 3222 OD2 ASP A 346 47.624 -11.511 19.962 1.00 0.00 A4 O -ATOM 3223 C ASP A 346 45.836 -8.806 17.046 1.00 0.00 A4 C -ATOM 3224 O ASP A 346 45.572 -9.848 16.461 1.00 0.00 A4 O -ATOM 3225 N ARG A 347 46.246 -7.667 16.457 1.00 0.00 A4 N -ATOM 3226 H ARG A 347 46.434 -6.877 17.040 0.00 0.00 A4 H -ATOM 3227 CA ARG A 347 46.418 -7.550 15.008 1.00 0.00 A4 C -ATOM 3228 CB ARG A 347 46.751 -6.098 14.677 1.00 0.00 A4 C -ATOM 3229 CG ARG A 347 45.615 -5.136 15.023 1.00 0.00 A4 C -ATOM 3230 CD ARG A 347 46.081 -3.684 15.136 1.00 0.00 A4 C -ATOM 3231 NE ARG A 347 46.822 -3.242 13.954 1.00 0.00 A4 N -ATOM 3232 HE ARG A 347 47.779 -3.501 13.831 0.00 0.00 A4 H -ATOM 3233 CZ ARG A 347 46.252 -2.460 13.015 1.00 0.00 A4 C -ATOM 3234 NH1 ARG A 347 44.970 -2.105 13.088 1.00 0.00 A4 N -ATOM 3235 HH11 ARG A 347 44.573 -1.526 12.376 0.00 0.00 A4 H -ATOM 3236 HH12 ARG A 347 44.400 -2.415 13.850 0.00 0.00 A4 H -ATOM 3237 NH2 ARG A 347 46.994 -2.031 11.999 1.00 0.00 A4 N -ATOM 3238 HH21 ARG A 347 46.585 -1.453 11.292 0.00 0.00 A4 H -ATOM 3239 HH22 ARG A 347 47.961 -2.280 11.940 0.00 0.00 A4 H -ATOM 3240 C ARG A 347 47.464 -8.481 14.417 1.00 0.00 A4 C -ATOM 3241 O ARG A 347 47.304 -9.012 13.324 1.00 0.00 A4 O -ATOM 3242 N ALA A 348 48.534 -8.665 15.220 1.00 0.00 A4 N -ATOM 3243 H ALA A 348 48.582 -8.177 16.091 0.00 0.00 A4 H -ATOM 3244 CA ALA A 348 49.628 -9.559 14.839 1.00 0.00 A4 C -ATOM 3245 CB ALA A 348 50.741 -9.496 15.888 1.00 0.00 A4 C -ATOM 3246 C ALA A 348 49.230 -11.013 14.639 1.00 0.00 A4 C -ATOM 3247 O ALA A 348 49.764 -11.708 13.784 1.00 0.00 A4 O -ATOM 3248 N ARG A 349 48.253 -11.431 15.469 1.00 0.00 A4 N -ATOM 3249 H ARG A 349 47.852 -10.812 16.144 0.00 0.00 A4 H -ATOM 3250 CA ARG A 349 47.790 -12.812 15.355 1.00 0.00 A4 C -ATOM 3251 CB ARG A 349 47.942 -13.531 16.692 1.00 0.00 A4 C -ATOM 3252 CG ARG A 349 49.388 -13.633 17.175 1.00 0.00 A4 C -ATOM 3253 CD ARG A 349 49.500 -14.493 18.432 1.00 0.00 A4 C -ATOM 3254 NE ARG A 349 48.985 -15.839 18.180 1.00 0.00 A4 N -ATOM 3255 HE ARG A 349 48.506 -16.056 17.330 0.00 0.00 A4 H -ATOM 3256 CZ ARG A 349 49.116 -16.818 19.097 1.00 0.00 A4 C -ATOM 3257 NH1 ARG A 349 49.738 -16.610 20.257 1.00 0.00 A4 N -ATOM 3258 HH11 ARG A 349 49.821 -17.358 20.914 0.00 0.00 A4 H -ATOM 3259 HH12 ARG A 349 50.123 -15.713 20.478 0.00 0.00 A4 H -ATOM 3260 NH2 ARG A 349 48.610 -18.018 18.828 1.00 0.00 A4 N -ATOM 3261 HH21 ARG A 349 48.698 -18.758 19.494 0.00 0.00 A4 H -ATOM 3262 HH22 ARG A 349 48.141 -18.180 17.960 0.00 0.00 A4 H -ATOM 3263 C ARG A 349 46.374 -12.994 14.835 1.00 0.00 A4 C -ATOM 3264 O ARG A 349 45.807 -14.076 14.940 1.00 0.00 A4 O -ATOM 3265 N LYS A 350 45.825 -11.886 14.281 1.00 0.00 A4 N -ATOM 3266 H LYS A 350 46.370 -11.050 14.214 0.00 0.00 A4 H -ATOM 3267 CA LYS A 350 44.459 -11.879 13.741 1.00 0.00 A4 C -ATOM 3268 CB LYS A 350 44.398 -12.536 12.355 1.00 0.00 A4 C -ATOM 3269 CG LYS A 350 45.390 -11.943 11.353 1.00 0.00 A4 C -ATOM 3270 CD LYS A 350 45.299 -12.612 9.981 1.00 0.00 A4 C -ATOM 3271 CE LYS A 350 46.350 -12.080 9.005 1.00 0.00 A4 C -ATOM 3272 NZ LYS A 350 46.159 -12.703 7.687 1.00 0.00 A4 N -ATOM 3273 HZ1 LYS A 350 46.849 -12.307 7.017 0.00 0.00 A4 H -ATOM 3274 HZ2 LYS A 350 46.298 -13.731 7.761 0.00 0.00 A4 H -ATOM 3275 HZ3 LYS A 350 45.196 -12.507 7.348 0.00 0.00 A4 H -ATOM 3276 C LYS A 350 43.392 -12.450 14.664 1.00 0.00 A4 C -ATOM 3277 O LYS A 350 42.663 -13.372 14.317 1.00 0.00 A4 O -ATOM 3278 N ARG A 351 43.362 -11.846 15.870 1.00 0.00 A4 N -ATOM 3279 H ARG A 351 44.034 -11.134 16.067 0.00 0.00 A4 H -ATOM 3280 CA ARG A 351 42.408 -12.265 16.897 1.00 0.00 A4 C -ATOM 3281 CB ARG A 351 42.920 -13.526 17.611 1.00 0.00 A4 C -ATOM 3282 CG ARG A 351 44.266 -13.320 18.308 1.00 0.00 A4 C -ATOM 3283 CD ARG A 351 44.827 -14.576 18.977 1.00 0.00 A4 C -ATOM 3284 NE ARG A 351 45.921 -14.199 19.869 1.00 0.00 A4 N -ATOM 3285 HE ARG A 351 46.284 -13.269 19.842 0.00 0.00 A4 H -ATOM 3286 CZ ARG A 351 46.458 -15.061 20.756 1.00 0.00 A4 C -ATOM 3287 NH1 ARG A 351 46.039 -16.321 20.855 1.00 0.00 A4 N -ATOM 3288 HH11 ARG A 351 46.468 -16.933 21.520 0.00 0.00 A4 H -ATOM 3289 HH12 ARG A 351 45.301 -16.661 20.273 0.00 0.00 A4 H -ATOM 3290 NH2 ARG A 351 47.433 -14.638 21.554 1.00 0.00 A4 N -ATOM 3291 HH21 ARG A 351 47.843 -15.268 22.213 0.00 0.00 A4 H -ATOM 3292 HH22 ARG A 351 47.757 -13.694 21.496 0.00 0.00 A4 H -ATOM 3293 C ARG A 351 42.071 -11.147 17.878 1.00 0.00 A4 C -ATOM 3294 O ARG A 351 42.785 -10.161 17.999 1.00 0.00 A4 O -ATOM 3295 N ILE A 352 40.928 -11.356 18.564 1.00 0.00 A4 N -ATOM 3296 H ILE A 352 40.396 -12.171 18.358 0.00 0.00 A4 H -ATOM 3297 CA ILE A 352 40.444 -10.433 19.592 1.00 0.00 A4 C -ATOM 3298 CB ILE A 352 39.206 -9.653 19.103 1.00 0.00 A4 C -ATOM 3299 CG2 ILE A 352 38.660 -8.708 20.176 1.00 0.00 A4 C -ATOM 3300 CG1 ILE A 352 39.486 -8.877 17.816 1.00 0.00 A4 C -ATOM 3301 CD1 ILE A 352 38.233 -8.211 17.250 1.00 0.00 A4 C -ATOM 3302 C ILE A 352 40.122 -11.174 20.884 1.00 0.00 A4 C -ATOM 3303 O ILE A 352 39.306 -12.085 20.912 1.00 0.00 A4 O -ATOM 3304 N GLY A 353 40.803 -10.733 21.959 1.00 0.00 A4 N -ATOM 3305 H GLY A 353 41.427 -9.961 21.879 0.00 0.00 A4 H -ATOM 3306 CA GLY A 353 40.595 -11.374 23.253 1.00 0.00 A4 C -ATOM 3307 C GLY A 353 39.623 -10.659 24.162 1.00 0.00 A4 C -ATOM 3308 O GLY A 353 39.444 -9.450 24.117 1.00 0.00 A4 O -ATOM 3309 N PHE A 354 38.996 -11.499 25.000 1.00 0.00 A4 N -ATOM 3310 H PHE A 354 39.166 -12.481 24.933 0.00 0.00 A4 H -ATOM 3311 CA PHE A 354 38.064 -10.975 25.992 1.00 0.00 A4 C -ATOM 3312 CB PHE A 354 36.605 -11.281 25.628 1.00 0.00 A4 C -ATOM 3313 CG PHE A 354 36.152 -10.601 24.355 1.00 0.00 A4 C -ATOM 3314 CD1 PHE A 354 36.481 -11.168 23.103 1.00 0.00 A4 C -ATOM 3315 CD2 PHE A 354 35.381 -9.420 24.440 1.00 0.00 A4 C -ATOM 3316 CE1 PHE A 354 36.026 -10.553 21.922 1.00 0.00 A4 C -ATOM 3317 CE2 PHE A 354 34.921 -8.806 23.258 1.00 0.00 A4 C -ATOM 3318 CZ PHE A 354 35.244 -9.382 22.012 1.00 0.00 A4 C -ATOM 3319 C PHE A 354 38.346 -11.590 27.343 1.00 0.00 A4 C -ATOM 3320 O PHE A 354 38.498 -12.796 27.480 1.00 0.00 A4 O -ATOM 3321 N ALA A 355 38.382 -10.696 28.341 1.00 0.00 A4 N -ATOM 3322 H ALA A 355 38.331 -9.716 28.150 0.00 0.00 A4 H -ATOM 3323 CA ALA A 355 38.464 -11.197 29.709 1.00 0.00 A4 C -ATOM 3324 CB ALA A 355 39.912 -11.256 30.197 1.00 0.00 A4 C -ATOM 3325 C ALA A 355 37.671 -10.308 30.630 1.00 0.00 A4 C -ATOM 3326 O ALA A 355 37.284 -9.207 30.267 1.00 0.00 A4 O -ATOM 3327 N VAL A 356 37.450 -10.825 31.850 1.00 0.00 A4 N -ATOM 3328 H VAL A 356 37.748 -11.753 32.073 0.00 0.00 A4 H -ATOM 3329 CA VAL A 356 36.815 -9.955 32.839 1.00 0.00 A4 C -ATOM 3330 CB VAL A 356 36.320 -10.787 34.031 1.00 0.00 A4 C -ATOM 3331 CG1 VAL A 356 35.631 -9.932 35.099 1.00 0.00 A4 C -ATOM 3332 CG2 VAL A 356 35.401 -11.913 33.553 1.00 0.00 A4 C -ATOM 3333 C VAL A 356 37.758 -8.850 33.284 1.00 0.00 A4 C -ATOM 3334 O VAL A 356 38.865 -9.102 33.729 1.00 0.00 A4 O -ATOM 3335 N SER A 357 37.269 -7.609 33.119 1.00 0.00 A4 N -ATOM 3336 H SER A 357 36.334 -7.488 32.787 0.00 0.00 A4 H -ATOM 3337 CA SER A 357 38.088 -6.457 33.496 1.00 0.00 A4 C -ATOM 3338 CB SER A 357 37.485 -5.203 32.858 1.00 0.00 A4 C -ATOM 3339 OG SER A 357 38.217 -4.024 33.190 1.00 0.00 A4 O -ATOM 3340 HG SER A 357 37.638 -3.297 33.002 0.00 0.00 A4 H -ATOM 3341 C SER A 357 38.213 -6.301 35.001 1.00 0.00 A4 C -ATOM 3342 O SER A 357 37.397 -6.792 35.771 1.00 0.00 A4 O -ATOM 3343 N ALA A 358 39.278 -5.563 35.372 1.00 0.00 A4 N -ATOM 3344 H ALA A 358 39.901 -5.211 34.675 0.00 0.00 A4 H -ATOM 3345 CA ALA A 358 39.438 -5.157 36.767 1.00 0.00 A4 C -ATOM 3346 CB ALA A 358 40.811 -4.514 36.970 1.00 0.00 A4 C -ATOM 3347 C ALA A 358 38.362 -4.187 37.232 1.00 0.00 A4 C -ATOM 3348 O ALA A 358 37.980 -4.156 38.396 1.00 0.00 A4 O -ATOM 3349 N CYS A 359 37.871 -3.423 36.234 1.00 0.00 A4 N -ATOM 3350 H CYS A 359 38.259 -3.493 35.316 0.00 0.00 A4 H -ATOM 3351 CA CYS A 359 36.716 -2.561 36.462 1.00 0.00 A4 C -ATOM 3352 CB CYS A 359 36.977 -1.187 35.842 1.00 0.00 A4 C -ATOM 3353 SG CYS A 359 37.012 -1.220 34.030 1.00 0.00 A4 S -ATOM 3354 C CYS A 359 35.411 -3.151 35.946 1.00 0.00 A4 C -ATOM 3355 O CYS A 359 34.625 -2.486 35.281 1.00 0.00 A4 O -ATOM 3356 N HIS A 360 35.216 -4.442 36.288 1.00 0.00 A4 N -ATOM 3357 H HIS A 360 35.906 -4.937 36.817 0.00 0.00 A4 H -ATOM 3358 CA HIS A 360 33.979 -5.104 35.870 1.00 0.00 A4 C -ATOM 3359 CB HIS A 360 34.057 -6.620 36.085 1.00 0.00 A4 C -ATOM 3360 CG HIS A 360 34.133 -6.957 37.558 1.00 0.00 A4 C -ATOM 3361 ND1 HIS A 360 35.227 -6.756 38.313 1.00 0.00 A4 N -ATOM 3362 HD1 HIS A 360 36.080 -6.378 38.012 0.00 0.00 A4 H -ATOM 3363 CD2 HIS A 360 33.124 -7.502 38.359 1.00 0.00 A4 C -ATOM 3364 NE2 HIS A 360 33.628 -7.626 39.611 1.00 0.00 A4 N -ATOM 3365 CE1 HIS A 360 34.921 -7.167 39.583 1.00 0.00 A4 C -ATOM 3366 C HIS A 360 32.721 -4.546 36.505 1.00 0.00 A4 C -ATOM 3367 O HIS A 360 32.742 -3.881 37.535 1.00 0.00 A4 O -ATOM 3368 N VAL A 361 31.616 -4.865 35.813 1.00 0.00 A4 N -ATOM 3369 H VAL A 361 31.685 -5.431 34.992 0.00 0.00 A4 H -ATOM 3370 CA VAL A 361 30.326 -4.383 36.291 1.00 0.00 A4 C -ATOM 3371 CB VAL A 361 29.358 -4.277 35.108 1.00 0.00 A4 C -ATOM 3372 CG1 VAL A 361 28.077 -3.565 35.520 1.00 0.00 A4 C -ATOM 3373 CG2 VAL A 361 30.004 -3.570 33.913 1.00 0.00 A4 C -ATOM 3374 C VAL A 361 29.760 -5.242 37.413 1.00 0.00 A4 C -ATOM 3375 O VAL A 361 29.728 -6.465 37.339 1.00 0.00 A4 O -ATOM 3376 N HIS A 362 29.332 -4.522 38.469 1.00 0.00 A4 N -ATOM 3377 H HIS A 362 29.361 -3.523 38.435 0.00 0.00 A4 H -ATOM 3378 CA HIS A 362 28.779 -5.223 39.627 1.00 0.00 A4 C -ATOM 3379 CB HIS A 362 29.138 -4.494 40.925 1.00 0.00 A4 C -ATOM 3380 CG HIS A 362 30.626 -4.539 41.192 1.00 0.00 A4 C -ATOM 3381 ND1 HIS A 362 31.294 -5.661 41.518 1.00 0.00 A4 N -ATOM 3382 HD1 HIS A 362 30.918 -6.562 41.601 0.00 0.00 A4 H -ATOM 3383 CD2 HIS A 362 31.524 -3.468 41.179 1.00 0.00 A4 C -ATOM 3384 NE2 HIS A 362 32.745 -3.958 41.505 1.00 0.00 A4 N -ATOM 3385 CE1 HIS A 362 32.604 -5.305 41.715 1.00 0.00 A4 C -ATOM 3386 C HIS A 362 27.277 -5.451 39.568 1.00 0.00 A4 C -ATOM 3387 O HIS A 362 26.518 -4.715 38.949 1.00 0.00 A4 O -ATOM 3388 N ASP A 363 26.914 -6.531 40.286 1.00 0.00 A4 N -ATOM 3389 H ASP A 363 27.648 -7.075 40.693 0.00 0.00 A4 H -ATOM 3390 CA ASP A 363 25.524 -6.942 40.501 1.00 0.00 A4 C -ATOM 3391 CB ASP A 363 25.001 -7.683 39.252 1.00 0.00 A4 C -ATOM 3392 CG ASP A 363 23.528 -8.064 39.329 1.00 0.00 A4 C -ATOM 3393 OD1 ASP A 363 23.180 -8.972 40.077 1.00 0.00 A4 O -ATOM 3394 OD2 ASP A 363 22.731 -7.476 38.605 1.00 0.00 A4 O -ATOM 3395 C ASP A 363 25.504 -7.818 41.744 1.00 0.00 A4 C -ATOM 3396 O ASP A 363 26.465 -8.524 42.028 1.00 0.00 A4 O -ATOM 3397 N GLU A 364 24.375 -7.730 42.481 1.00 0.00 A4 N -ATOM 3398 H GLU A 364 23.624 -7.149 42.171 0.00 0.00 A4 H -ATOM 3399 CA GLU A 364 24.273 -8.483 43.736 1.00 0.00 A4 C -ATOM 3400 CB GLU A 364 22.980 -8.138 44.480 1.00 0.00 A4 C -ATOM 3401 CG GLU A 364 22.874 -6.664 44.877 1.00 0.00 A4 C -ATOM 3402 CD GLU A 364 21.679 -6.466 45.790 1.00 0.00 A4 C -ATOM 3403 OE1 GLU A 364 21.741 -6.900 46.940 1.00 0.00 A4 O -ATOM 3404 OE2 GLU A 364 20.695 -5.872 45.353 1.00 0.00 A4 O -ATOM 3405 C GLU A 364 24.400 -9.994 43.613 1.00 0.00 A4 C -ATOM 3406 O GLU A 364 25.166 -10.633 44.324 1.00 0.00 A4 O -ATOM 3407 N PHE A 365 23.605 -10.526 42.668 1.00 0.00 A4 N -ATOM 3408 H PHE A 365 23.035 -9.934 42.100 0.00 0.00 A4 H -ATOM 3409 CA PHE A 365 23.564 -11.978 42.508 1.00 0.00 A4 C -ATOM 3410 CB PHE A 365 22.144 -12.502 42.800 1.00 0.00 A4 C -ATOM 3411 CG PHE A 365 21.110 -12.056 41.782 1.00 0.00 A4 C -ATOM 3412 CD1 PHE A 365 20.543 -13.023 40.923 1.00 0.00 A4 C -ATOM 3413 CD2 PHE A 365 20.708 -10.702 41.713 1.00 0.00 A4 C -ATOM 3414 CE1 PHE A 365 19.565 -12.635 39.986 1.00 0.00 A4 C -ATOM 3415 CE2 PHE A 365 19.736 -10.310 40.774 1.00 0.00 A4 C -ATOM 3416 CZ PHE A 365 19.173 -11.281 39.920 1.00 0.00 A4 C -ATOM 3417 C PHE A 365 24.118 -12.522 41.198 1.00 0.00 A4 C -ATOM 3418 O PHE A 365 24.090 -13.722 40.949 1.00 0.00 A4 O -ATOM 3419 N ARG A 366 24.618 -11.581 40.370 1.00 0.00 A4 N -ATOM 3420 H ARG A 366 24.620 -10.618 40.637 0.00 0.00 A4 H -ATOM 3421 CA ARG A 366 25.131 -11.961 39.054 1.00 0.00 A4 C -ATOM 3422 CB ARG A 366 24.123 -11.623 37.956 1.00 0.00 A4 C -ATOM 3423 CG ARG A 366 22.806 -12.390 38.045 1.00 0.00 A4 C -ATOM 3424 CD ARG A 366 21.758 -11.831 37.091 1.00 0.00 A4 C -ATOM 3425 NE ARG A 366 21.481 -10.428 37.390 1.00 0.00 A4 N -ATOM 3426 HE ARG A 366 22.024 -9.919 38.058 0.00 0.00 A4 H -ATOM 3427 CZ ARG A 366 20.510 -9.779 36.722 1.00 0.00 A4 C -ATOM 3428 NH1 ARG A 366 19.723 -10.413 35.854 1.00 0.00 A4 N -ATOM 3429 HH11 ARG A 366 19.016 -9.901 35.370 0.00 0.00 A4 H -ATOM 3430 HH12 ARG A 366 19.828 -11.392 35.682 0.00 0.00 A4 H -ATOM 3431 NH2 ARG A 366 20.339 -8.480 36.933 1.00 0.00 A4 N -ATOM 3432 HH21 ARG A 366 19.632 -7.985 36.428 0.00 0.00 A4 H -ATOM 3433 HH22 ARG A 366 20.915 -7.991 37.588 0.00 0.00 A4 H -ATOM 3434 C ARG A 366 26.439 -11.268 38.743 1.00 0.00 A4 C -ATOM 3435 O ARG A 366 26.820 -10.287 39.370 1.00 0.00 A4 O -ATOM 3436 N THR A 367 27.104 -11.835 37.721 1.00 0.00 A4 N -ATOM 3437 H THR A 367 26.763 -12.677 37.304 0.00 0.00 A4 H -ATOM 3438 CA THR A 367 28.362 -11.239 37.282 1.00 0.00 A4 C -ATOM 3439 CB THR A 367 29.537 -11.792 38.113 1.00 0.00 A4 C -ATOM 3440 OG1 THR A 367 30.776 -11.218 37.684 1.00 0.00 A4 O -ATOM 3441 HG1 THR A 367 31.459 -11.629 38.197 0.00 0.00 A4 H -ATOM 3442 CG2 THR A 367 29.617 -13.322 38.102 1.00 0.00 A4 C -ATOM 3443 C THR A 367 28.590 -11.426 35.794 1.00 0.00 A4 C -ATOM 3444 O THR A 367 28.243 -12.444 35.206 1.00 0.00 A4 O -ATOM 3445 N ALA A 368 29.221 -10.380 35.221 1.00 0.00 A4 N -ATOM 3446 H ALA A 368 29.405 -9.554 35.754 0.00 0.00 A4 H -ATOM 3447 CA ALA A 368 29.713 -10.506 33.851 1.00 0.00 A4 C -ATOM 3448 CB ALA A 368 30.146 -9.141 33.311 1.00 0.00 A4 C -ATOM 3449 C ALA A 368 30.885 -11.463 33.773 1.00 0.00 A4 C -ATOM 3450 O ALA A 368 31.697 -11.558 34.688 1.00 0.00 A4 O -ATOM 3451 N ALA A 369 30.906 -12.199 32.647 1.00 0.00 A4 N -ATOM 3452 H ALA A 369 30.214 -12.064 31.936 0.00 0.00 A4 H -ATOM 3453 CA ALA A 369 31.873 -13.290 32.589 1.00 0.00 A4 C -ATOM 3454 CB ALA A 369 31.279 -14.564 33.198 1.00 0.00 A4 C -ATOM 3455 C ALA A 369 32.357 -13.610 31.194 1.00 0.00 A4 C -ATOM 3456 O ALA A 369 31.716 -13.316 30.195 1.00 0.00 A4 O -ATOM 3457 N VAL A 370 33.537 -14.255 31.185 1.00 0.00 A4 N -ATOM 3458 H VAL A 370 34.036 -14.381 32.042 0.00 0.00 A4 H -ATOM 3459 CA VAL A 370 34.026 -14.824 29.931 1.00 0.00 A4 C -ATOM 3460 CB VAL A 370 35.228 -14.050 29.369 1.00 0.00 A4 C -ATOM 3461 CG1 VAL A 370 35.539 -14.520 27.948 1.00 0.00 A4 C -ATOM 3462 CG2 VAL A 370 35.018 -12.536 29.387 1.00 0.00 A4 C -ATOM 3463 C VAL A 370 34.385 -16.282 30.141 1.00 0.00 A4 C -ATOM 3464 O VAL A 370 35.367 -16.613 30.795 1.00 0.00 A4 O -ATOM 3465 N GLU A 371 33.508 -17.140 29.587 1.00 0.00 A4 N -ATOM 3466 H GLU A 371 32.753 -16.809 29.023 0.00 0.00 A4 H -ATOM 3467 CA GLU A 371 33.621 -18.553 29.937 1.00 0.00 A4 C -ATOM 3468 CB GLU A 371 32.406 -18.984 30.758 1.00 0.00 A4 C -ATOM 3469 CG GLU A 371 32.267 -18.196 32.066 1.00 0.00 A4 C -ATOM 3470 CD GLU A 371 30.934 -18.475 32.731 1.00 0.00 A4 C -ATOM 3471 OE1 GLU A 371 30.896 -18.554 33.957 1.00 0.00 A4 O -ATOM 3472 OE2 GLU A 371 29.934 -18.595 32.028 1.00 0.00 A4 O -ATOM 3473 C GLU A 371 33.784 -19.474 28.751 1.00 0.00 A4 C -ATOM 3474 O GLU A 371 33.211 -19.279 27.691 1.00 0.00 A4 O -ATOM 3475 N GLY A 372 34.586 -20.516 29.007 1.00 0.00 A4 N -ATOM 3476 H GLY A 372 35.065 -20.566 29.882 0.00 0.00 A4 H -ATOM 3477 CA GLY A 372 34.737 -21.566 28.005 1.00 0.00 A4 C -ATOM 3478 C GLY A 372 35.530 -22.732 28.566 1.00 0.00 A4 C -ATOM 3479 O GLY A 372 35.912 -22.731 29.730 1.00 0.00 A4 O -ATOM 3480 N PRO A 373 35.797 -23.736 27.692 1.00 0.00 A4 N -ATOM 3481 CD PRO A 373 36.664 -24.868 28.012 1.00 0.00 A4 C -ATOM 3482 CA PRO A 373 35.311 -23.769 26.307 1.00 0.00 A4 C -ATOM 3483 CB PRO A 373 36.380 -24.643 25.649 1.00 0.00 A4 C -ATOM 3484 CG PRO A 373 36.743 -25.673 26.719 1.00 0.00 A4 C -ATOM 3485 C PRO A 373 33.912 -24.357 26.168 1.00 0.00 A4 C -ATOM 3486 O PRO A 373 33.404 -25.074 27.021 1.00 0.00 A4 O -ATOM 3487 N PHE A 374 33.330 -24.009 25.009 1.00 0.00 A4 N -ATOM 3488 H PHE A 374 33.801 -23.387 24.387 0.00 0.00 A4 H -ATOM 3489 CA PHE A 374 32.067 -24.626 24.618 1.00 0.00 A4 C -ATOM 3490 CB PHE A 374 30.970 -23.569 24.439 1.00 0.00 A4 C -ATOM 3491 CG PHE A 374 30.507 -23.014 25.768 1.00 0.00 A4 C -ATOM 3492 CD1 PHE A 374 31.203 -21.940 26.366 1.00 0.00 A4 C -ATOM 3493 CD2 PHE A 374 29.369 -23.579 26.386 1.00 0.00 A4 C -ATOM 3494 CE1 PHE A 374 30.755 -21.425 27.598 1.00 0.00 A4 C -ATOM 3495 CE2 PHE A 374 28.918 -23.062 27.615 1.00 0.00 A4 C -ATOM 3496 CZ PHE A 374 29.616 -21.989 28.209 1.00 0.00 A4 C -ATOM 3497 C PHE A 374 32.249 -25.392 23.328 1.00 0.00 A4 C -ATOM 3498 O PHE A 374 33.097 -25.070 22.507 1.00 0.00 A4 O -ATOM 3499 N VAL A 375 31.400 -26.422 23.177 1.00 0.00 A4 N -ATOM 3500 H VAL A 375 30.763 -26.679 23.902 0.00 0.00 A4 H -ATOM 3501 CA VAL A 375 31.375 -27.050 21.861 1.00 0.00 A4 C -ATOM 3502 CB VAL A 375 31.292 -28.584 21.989 1.00 0.00 A4 C -ATOM 3503 CG1 VAL A 375 30.045 -29.047 22.749 1.00 0.00 A4 C -ATOM 3504 CG2 VAL A 375 31.461 -29.282 20.634 1.00 0.00 A4 C -ATOM 3505 C VAL A 375 30.289 -26.462 20.974 1.00 0.00 A4 C -ATOM 3506 O VAL A 375 29.143 -26.285 21.370 1.00 0.00 A4 O -ATOM 3507 N THR A 376 30.737 -26.144 19.746 1.00 0.00 A4 N -ATOM 3508 H THR A 376 31.694 -26.300 19.507 0.00 0.00 A4 H -ATOM 3509 CA THR A 376 29.810 -25.601 18.762 1.00 0.00 A4 C -ATOM 3510 CB THR A 376 29.754 -24.069 18.818 1.00 0.00 A4 C -ATOM 3511 OG1 THR A 376 29.599 -23.624 20.168 1.00 0.00 A4 O -ATOM 3512 HG1 THR A 376 29.661 -22.678 20.150 0.00 0.00 A4 H -ATOM 3513 CG2 THR A 376 28.614 -23.514 17.958 1.00 0.00 A4 C -ATOM 3514 C THR A 376 30.184 -26.073 17.377 1.00 0.00 A4 C -ATOM 3515 O THR A 376 31.226 -25.733 16.830 1.00 0.00 A4 O -ATOM 3516 N LEU A 377 29.267 -26.897 16.844 1.00 0.00 A4 N -ATOM 3517 H LEU A 377 28.412 -27.082 17.327 0.00 0.00 A4 H -ATOM 3518 CA LEU A 377 29.518 -27.448 15.517 1.00 0.00 A4 C -ATOM 3519 CB LEU A 377 28.728 -28.745 15.318 1.00 0.00 A4 C -ATOM 3520 CG LEU A 377 28.813 -29.748 16.476 1.00 0.00 A4 C -ATOM 3521 CD1 LEU A 377 27.864 -30.925 16.251 1.00 0.00 A4 C -ATOM 3522 CD2 LEU A 377 30.240 -30.218 16.767 1.00 0.00 A4 C -ATOM 3523 C LEU A 377 29.158 -26.454 14.434 1.00 0.00 A4 C -ATOM 3524 O LEU A 377 28.317 -25.584 14.630 1.00 0.00 A4 O -ATOM 3525 N ASP A 378 29.843 -26.634 13.285 1.00 0.00 A4 N -ATOM 3526 H ASP A 378 30.533 -27.356 13.246 0.00 0.00 A4 H -ATOM 3527 CA ASP A 378 29.515 -25.870 12.074 1.00 0.00 A4 C -ATOM 3528 CB ASP A 378 28.163 -26.320 11.493 1.00 0.00 A4 C -ATOM 3529 CG ASP A 378 28.145 -27.804 11.170 1.00 0.00 A4 C -ATOM 3530 OD1 ASP A 378 27.204 -28.477 11.586 1.00 0.00 A4 O -ATOM 3531 OD2 ASP A 378 29.061 -28.280 10.499 1.00 0.00 A4 O -ATOM 3532 C ASP A 378 29.553 -24.351 12.201 1.00 0.00 A4 C -ATOM 3533 O ASP A 378 28.698 -23.645 11.679 1.00 0.00 A4 O -ATOM 3534 N MET A 379 30.589 -23.884 12.932 1.00 0.00 A4 N -ATOM 3535 H MET A 379 31.245 -24.524 13.332 0.00 0.00 A4 H -ATOM 3536 CA MET A 379 30.729 -22.443 13.166 1.00 0.00 A4 C -ATOM 3537 CB MET A 379 31.802 -22.162 14.214 1.00 0.00 A4 C -ATOM 3538 CG MET A 379 31.479 -22.714 15.598 1.00 0.00 A4 C -ATOM 3539 SD MET A 379 32.714 -22.251 16.821 1.00 0.00 A4 S -ATOM 3540 CE MET A 379 34.140 -22.994 16.013 1.00 0.00 A4 C -ATOM 3541 C MET A 379 31.003 -21.582 11.944 1.00 0.00 A4 C -ATOM 3542 O MET A 379 30.701 -20.395 11.930 1.00 0.00 A4 O -ATOM 3543 N GLU A 380 31.574 -22.243 10.914 1.00 0.00 A4 N -ATOM 3544 H GLU A 380 31.822 -23.206 11.015 0.00 0.00 A4 H -ATOM 3545 CA GLU A 380 31.790 -21.559 9.636 1.00 0.00 A4 C -ATOM 3546 CB GLU A 380 32.660 -22.406 8.707 1.00 0.00 A4 C -ATOM 3547 CG GLU A 380 34.119 -22.533 9.162 1.00 0.00 A4 C -ATOM 3548 CD GLU A 380 34.803 -21.173 9.218 1.00 0.00 A4 C -ATOM 3549 OE1 GLU A 380 34.585 -20.350 8.327 1.00 0.00 A4 O -ATOM 3550 OE2 GLU A 380 35.560 -20.945 10.159 1.00 0.00 A4 O -ATOM 3551 C GLU A 380 30.532 -21.139 8.902 1.00 0.00 A4 C -ATOM 3552 O GLU A 380 30.516 -20.150 8.178 1.00 0.00 A4 O -ATOM 3553 N ASP A 381 29.468 -21.929 9.152 1.00 0.00 A4 N -ATOM 3554 H ASP A 381 29.561 -22.736 9.736 0.00 0.00 A4 H -ATOM 3555 CA ASP A 381 28.164 -21.582 8.588 1.00 0.00 A4 C -ATOM 3556 CB ASP A 381 27.200 -22.772 8.651 1.00 0.00 A4 C -ATOM 3557 CG ASP A 381 27.771 -23.992 7.949 1.00 0.00 A4 C -ATOM 3558 OD1 ASP A 381 28.232 -23.869 6.815 1.00 0.00 A4 O -ATOM 3559 OD2 ASP A 381 27.745 -25.067 8.541 1.00 0.00 A4 O -ATOM 3560 C ASP A 381 27.492 -20.363 9.197 1.00 0.00 A4 C -ATOM 3561 O ASP A 381 26.496 -19.882 8.681 1.00 0.00 A4 O -ATOM 3562 N CYS A 382 28.072 -19.874 10.311 1.00 0.00 A4 N -ATOM 3563 H CYS A 382 28.895 -20.290 10.696 0.00 0.00 A4 H -ATOM 3564 CA CYS A 382 27.500 -18.669 10.908 1.00 0.00 A4 C -ATOM 3565 CB CYS A 382 27.829 -18.617 12.399 1.00 0.00 A4 C -ATOM 3566 SG CYS A 382 27.285 -20.102 13.275 1.00 0.00 A4 S -ATOM 3567 C CYS A 382 27.862 -17.363 10.218 1.00 0.00 A4 C -ATOM 3568 O CYS A 382 27.155 -16.370 10.334 1.00 0.00 A4 O -ATOM 3569 N GLY A 383 28.986 -17.415 9.471 1.00 0.00 A4 N -ATOM 3570 H GLY A 383 29.509 -18.264 9.397 0.00 0.00 A4 H -ATOM 3571 CA GLY A 383 29.376 -16.228 8.711 1.00 0.00 A4 C -ATOM 3572 C GLY A 383 28.544 -16.004 7.461 1.00 0.00 A4 C -ATOM 3573 O GLY A 383 28.186 -16.931 6.743 1.00 0.00 A4 O -ATOM 3574 N TYR A 384 28.250 -14.706 7.251 1.00 0.00 A4 N -ATOM 3575 H TYR A 384 28.608 -14.009 7.872 0.00 0.00 A4 H -ATOM 3576 CA TYR A 384 27.484 -14.326 6.066 1.00 0.00 A4 C -ATOM 3577 CB TYR A 384 26.614 -13.104 6.406 1.00 0.00 A4 C -ATOM 3578 CG TYR A 384 25.819 -12.596 5.221 1.00 0.00 A4 C -ATOM 3579 CD1 TYR A 384 24.720 -13.340 4.742 1.00 0.00 A4 C -ATOM 3580 CE1 TYR A 384 23.990 -12.847 3.647 1.00 0.00 A4 C -ATOM 3581 CD2 TYR A 384 26.207 -11.378 4.629 1.00 0.00 A4 C -ATOM 3582 CE2 TYR A 384 25.476 -10.884 3.537 1.00 0.00 A4 C -ATOM 3583 CZ TYR A 384 24.375 -11.624 3.061 1.00 0.00 A4 C -ATOM 3584 OH TYR A 384 23.651 -11.137 1.992 1.00 0.00 A4 O -ATOM 3585 HH TYR A 384 24.004 -10.300 1.718 0.00 0.00 A4 H -ATOM 3586 C TYR A 384 28.378 -14.079 4.864 1.00 0.00 A4 C -ATOM 3587 O TYR A 384 29.437 -13.470 4.957 1.00 0.00 A4 O -ATOM 3588 N ASN A 385 27.885 -14.594 3.723 1.00 0.00 A4 N -ATOM 3589 H ASN A 385 27.010 -15.077 3.722 0.00 0.00 A4 H -ATOM 3590 CA ASN A 385 28.649 -14.407 2.491 1.00 0.00 A4 C -ATOM 3591 CB ASN A 385 29.047 -15.754 1.880 1.00 0.00 A4 C -ATOM 3592 CG ASN A 385 29.912 -16.544 2.842 1.00 0.00 A4 C -ATOM 3593 OD1 ASN A 385 30.991 -16.126 3.245 1.00 0.00 A4 O -ATOM 3594 ND2 ASN A 385 29.371 -17.725 3.185 1.00 0.00 A4 N -ATOM 3595 HD21 ASN A 385 28.482 -17.996 2.815 0.00 0.00 A4 H -ATOM 3596 HD22 ASN A 385 29.846 -18.346 3.808 0.00 0.00 A4 H -ATOM 3597 C ASN A 385 27.912 -13.572 1.464 1.00 0.00 A4 C -ATOM 3598 O ASN A 385 26.706 -13.366 1.523 1.00 0.00 A4 O -ENDMDL diff --git a/examples/example1/pairsprings.txt b/examples/example1/pairsprings.txt deleted file mode 100644 index 32c9ff6..0000000 --- a/examples/example1/pairsprings.txt +++ /dev/null @@ -1,3 +0,0 @@ -1 -5.0 2.0 5.0 102 CA 3599 C1 - diff --git a/examples/example1/parm.prm b/examples/example1/parm.prm deleted file mode 100644 index be856e5..0000000 --- a/examples/example1/parm.prm +++ /dev/null @@ -1,6718 +0,0 @@ -* ... -* Parameter File for CHARMm version 22.0 -* ... -* Includes parameters for both polar and all hydrogen topology files -* ... -* Copyright (c) 1986, 1987, 1988, 1989, 1990, 1991, 1992, 1993 -* Molecular Simulations Incorporated -* Confidential and Proprietary: All Rights Reserved -* ... -* Dihedrals are presumed to be automatically generated and -* should be totally specified, i.e. amide bonds have 4 dihedral -* terms and ethane has 9 dihedral terms. Check the CHARMm PSF if necessary. -* This is not to be confused with multiple periodicity. -* This file can be used only with release CHARMm22. Older CHARMm -* versions do not have proper array sizes and will stop with error. -* ... -* Latest modification: $Date: 2004/05/30 18:43:35 $ -* ... -* -BOND ! BONDS; bonds -B CT 200.0 1.58 -B N 200.0 1.42 -B OE 200.0 1.36 -B OT 200.0 1.325 -B SE 400.0 1.79 -B XCL 200.0 1.74 -B XF 200.0 1.414 -C C 282.0 1.515 -C C5R 450.0 1.38 -C C6R 386.0 1.460 -C C6RE 386.0 1.444 -C C6RP 386.0 1.500 -C C6RQ 386.0 1.500 -C CF1 242.0 1.510 -C CF2 242.0 1.510 -C CF3 242.0 1.503 -C CH1E 279.0 1.515 -C CH2E 279.0 1.515 -C CH3E 279.0 1.515 -C CR1E 450.0 1.38 -CH2E CR1E 250.0 1.45 -SH1E FE 500.0 2.38 -C CR56 386.0 1.419 -C CR66 386.0 1.419 -C CT 242.0 1.530 -C CT3 242.0 1.515 -C CT4 242.0 1.515 -C CUA1 282.0 1.476 -C CUA2 282.0 1.476 -C CUA3 282.0 1.476 -C CUY1 325.0 1.510 -C CUY2 325.0 1.510 -C MSI 300.0 1.93 -C N 620.0 1.270 -C N5R 420.0 1.37 -C N6R 420.0 1.38 -C NC 400.0 1.33 -C NC2 463.0 1.365 -C NO2 400.0 1.380 -C NP 350.0 1.345 -C NT 400.0 1.416 -C NX 350.0 1.350 -C O 640.0 1.225 -C OA 845.0 1.207 -C OAC 640.0 1.193 -C OC 455.0 1.23 -C OE 375.0 1.354 -C OK 690.0 1.193 -C OS 350.0 1.319 -C OT 355.0 1.352 -C PT 400.0 1.780 -C PUA1 540.0 1.750 -C S5R 350.0 1.82 -C S6R 350.0 1.82 -C SE 300.0 1.765 -C SK 570.0 1.68 -C SO1 226.0 1.82 -C SO2 226.0 1.82 -C SO3 226.0 1.82 -C XBR 185.0 1.97 -C XCL 453.0 1.77 -C XF 326.0 1.355 -C XI 300.0 2.10 -C3 CT3 242.0 1.515 -C3 CUA1 315.0 1.47 -C3 OK 640.0 1.225 -C4 CT4 260.0 1.510 -C4 CUA1 315.0 1.47 -C4 NP 350.0 1.375 -C4 NX 350.0 1.388 -C4 O 640.0 1.205 -C4 OK 640.0 1.205 -C5R C5R 450.0 1.400 -C5R C5RE 450.0 1.41 -C5R C5RP 450.0 1.39 -C5R C5RQ 450.0 1.39 -C5R CF1 345.0 1.510 -C5R CF2 345.0 1.500 -C5R CF3 345.0 1.495 -C5R CR55 450.0 1.410 -C5R CR56 450.0 1.448 -C5R CT 345.0 1.51 -C5R CT3 345.0 1.51 -C5R CT4 345.0 1.51 -C5R CUA1 325.0 1.49 -C5R CUA2 325.0 1.49 -C5R MSE 230.0 1.917 -C5R N5R 390.0 1.350 -C5R N5RP 390.0 1.347 -C5R NO2 414.0 1.46 -C5R NP 390.0 1.47 -C5R NR55 390.0 1.35 -C5R NR56 390.0 1.35 -C5R NT 390.0 1.47 -C5R O5R 365.0 1.36 -C5R OE 330.0 1.42 -C5R OK 765.0 1.22 -C5R OS 365.0 1.46 -C5R OT 450.0 1.38 -C5R S5R 350.0 1.71 -C5R SE 230.0 1.773 -C5R SO1 226.0 1.71 -C5R SO2 226.0 1.71 -C5R SO3 226.0 1.71 -C5R XBR 300.0 1.88 -C5R XCL 232.0 1.71 -C5R XF 380.0 1.33 -C5R XI 300.0 2.05 -C5RE C5RE 450.0 1.41 -C5RE N5R 390.0 1.36 -C5RP C 360.0 1.49 -C5RP C5RE 450.0 1.41 -C5RP C5RP 360.0 1.49 -C5RP C5RQ 450.0 1.41 -C5RP C6RP 450.0 1.48 -C5RP C6RQ 450.0 1.48 -C5RP CR55 450.0 1.41 -C5RP CR56 450.0 1.41 -C5RP CT 345.0 1.53 -C5RP CUA1 325.0 1.49 -C5RP CUA2 325.0 1.39 -C5RP N5R 390.0 1.36 -C5RP N5RP 390.0 1.36 -C5RP NO2 414.0 1.46 -C5RP NP 390.0 1.47 -C5RP NT 390.0 1.47 -C5RP O5R 400.0 1.36 -C5RP OE 330.0 1.42 -C5RP OK 765.0 1.22 -C5RP OS 365.0 1.46 -C5RP OT 450.0 1.38 -C5RP S5R 350.0 1.71 -C5RP SO1 226.0 1.71 -C5RP SO2 226.0 1.71 -C5RP SO3 226.0 1.71 -C5RP XBR 300.0 1.88 -C5RP XCL 232.0 1.71 -C5RP XF 380.0 1.33 -C5RP XI 300.0 2.05 -C5RQ C5RQ 360.0 1.48 -C5RQ CR55 450.0 1.41 -C5RQ CR56 450.0 1.41 -C6R C5RP 450.0 1.39 -C6R C5RQ 450.0 1.39 -C6R C6R 440.0 1.383 -C6R C6RE 450.0 1.39 -C6R C6RP 450.0 1.370 -C6R C6RQ 450.0 1.370 -C6R CF1 345.0 1.510 -C6R CF2 345.0 1.500 -C6R CF3 345.0 1.495 -C6R CQ66 450.0 1.403 -C6R CR56 450.0 1.360 -C6R CR66 470.0 1.403 -C6R CS66 470.0 1.403 -C6R CT 345.0 1.500 -C6R CT3 345.0 1.500 -C6R CT4 345.0 1.500 -C6R CUA1 325.0 1.458 -C6R CUA2 325.0 1.458 -C6R CUA3 325.0 1.458 -C6R CUY1 355.0 1.434 -C6R CUY2 355.0 1.434 -C6R MSE 230.0 1.917 -C6R MSI 250.0 1.850 -C6R N 390.0 1.432 -C6R N5R 390.0 1.36 -C6R N6R 420.0 1.327 -C6R N6RP 390.0 1.313 -C6R NC 400.0 1.33 -C6R NO2 414.0 1.46 -C6R NP 390.0 1.355 -C6R NR56 390.0 1.32 -C6R NR66 390.0 1.32 -C6R NT 350.0 1.415 -C6R O 610.0 1.227 -C6R O6R 390.0 1.40 -C6R OC 450.0 1.38 -C6R OE 365.0 1.38 -C6R OK 765.0 1.22 -C6R OS 365.0 1.400 -C6R OT 450.0 1.38 -C6R P6R 350.0 1.70 -C6R PO3 350.0 1.80 -C6R S6R 350.0 1.71 -C6R SE 230.0 1.773 -C6R SO1 350.0 1.725 -C6R SO2 350.0 1.770 -C6R SO3 350.0 1.725 -C6R ST 230.0 1.773 -C6R XBR 300.0 1.873 -C6R XCL 232.0 1.730 -C6R XF 380.0 1.338 -C6R XI 300.0 2.05 -C6RE C6RE 450.0 1.39 -C6RE CR56 450.0 1.39 -C6RE N6R 390.0 1.31 -C6RE OS 365.0 1.46 -C6RP C6RE 450.0 1.39 -C6RP C6RP 460.0 1.485 -C6RP CR56 450.0 1.39 -C6RP CR66 450.0 1.39 -C6RP CT 345.0 1.47 -C6RP CUA1 325.0 1.49 -C6RP CUA2 325.0 1.49 -C6RP N5RP 390.0 1.38 -C6RP N6R 390.0 1.36 -C6RP NC 400.0 1.33 -C6RP NO2 414.0 1.46 -C6RP NP 390.0 1.337 -C6RP NR56 390.0 1.32 -C6RP NR66 390.0 1.32 -C6RP NT 390.0 1.333 -C6RP OE 330.0 1.42 -C6RP OK 765.0 1.22 -C6RP OS 365.0 1.46 -C6RP OT 450.0 1.38 -C6RP S6R 350.0 1.71 -C6RP SO1 226.0 1.71 -C6RP SO2 226.0 1.71 -C6RP SO3 226.0 1.71 -C6RP XBR 300.0 1.88 -C6RP XCL 232.0 1.71 -C6RP XF 380.0 1.33 -C6RP XI 300.0 2.05 -C6RQ C6RP 450.0 1.420 -C6RQ C6RQ 360.0 1.485 -C6RQ CR56 450.0 1.39 -C6RQ CR66 450.0 1.39 -CF1 CF1 268.0 1.500 -CF1 CF2 268.0 1.462 -CF1 CF3 268.0 1.498 -CF1 CT 268.0 1.498 -CF1 CUA1 300.0 1.500 -CF1 CUY1 350.0 1.470 -CF1 MSE 250.0 1.978 -CF1 N 310.0 1.485 -CF1 NP 310.0 1.45 -CF1 NT 295.0 1.473 -CF1 OE 380.0 1.42 -CF1 SE 250.0 1.82 -CF1 ST 250.0 1.82 -CF1 XCL 254.0 1.783 -CF1 XF 275.0 1.388 -CF2 CF2 298.0 1.512 -CF2 CF3 298.0 1.482 -CF2 CT 268.0 1.497 -CF2 CUA1 300.0 1.500 -CF2 CUY1 350.0 1.470 -CF2 MSE 250.0 1.978 -CF2 N 310.0 1.500 -CF2 NP 310.0 1.43 -CF2 NT 295.0 1.473 -CF2 OE 380.0 1.390 -CF2 SE 250.0 1.82 -CF2 ST 250.0 1.82 -CF2 XCL 254.0 1.783 -CF2 XF 275.0 1.335 -CF3 CF3 268.0 1.522 -CF3 CT 208.0 1.520 -CF3 CUA1 300.0 1.500 -CF3 CUY1 350.0 1.470 -CF3 MSE 250.0 1.978 -CF3 N 310.0 1.535 -CF3 NP 310.0 1.40 -CF3 NT 295.0 1.473 -CF3 OE 380.0 1.380 -CF3 SE 250.0 1.82 -CF3 ST 250.0 1.82 -CF3 XF 275.0 1.320 -CH1E C5R 345.0 1.47 -CH1E C5RP 345.0 1.47 -CH1E C6R 345.0 1.47 -CH1E C6RP 345.0 1.47 -CH1E CF1 268.0 1.502 -CH1E CF2 268.0 1.499 -CH1E CF3 268.0 1.497 -CH1E CH1E 268.0 1.53 -CH1E CH2E 268.0 1.53 -CH1E CH3E 268.0 1.53 -CH1E CT 268.0 1.53 -CH1E CUA1 300.0 1.51 -CH1E CUA2 300.0 1.51 -CH1E CUY1 350.0 1.46 -CH1E N5R 390.0 1.47 -CH1E N6R 390.0 1.47 -CH1E NO2 414.0 1.46 -CH1E NP 386.0 1.46 -CH1E NT 390.0 1.47 -CH1E NX 390.0 1.46 -CH1E OE 380.0 1.42 -CH1E OS 365.0 1.46 -CH1E OT 340.0 1.43 -CH1E PT 326.0 1.85 -CH1E SE 237.0 1.80 -CH1E SH1E 226.0 1.81 -CH1E SO1 199.0 1.81 -CH1E SO2 226.0 1.78 -CH1E SO3 226.0 1.78 -CH1E ST 226.0 1.81 -CH1E XBR 166.0 1.924 -CH1E XCL 254.0 1.783 -CH1E XF 275.0 1.371 -CH1E XI 150.0 2.16 -CH2E C5R 345.0 1.51 -CH2E C5RP 345.0 1.47 -CH2E C6R 345.0 1.51 -CH2E C6RP 345.0 1.47 -CH2E CF1 268.0 1.503 -CH2E CF2 268.0 1.499 -CH2E CF3 268.0 1.497 -CH2E CH2E 268.0 1.53 -CH2E CH3E 268.0 1.53 -CH2E CT 268.0 1.53 -CH2E CUA1 300.0 1.51 -CH2E CUA2 300.0 1.51 -CH2E N5R 390.0 1.47 -CH2E N6R 390.0 1.47 -CH2E NO2 414.0 1.46 -CH2E NP 386.0 1.46 -CH2E NT 390.0 1.47 -CH2E NX 390.0 1.46 -CH2E OE 330.0 1.42 -CH2E OS 365.0 1.46 -CH2E OT 340.0 1.43 -CH2E PT 326.0 1.85 -CH2E SE 237.0 1.80 -CH2E SH1E 226.0 1.81 -CH2E SO1 199.0 1.81 -CH2E SO2 226.0 1.78 -CH2E SO3 226.0 1.78 -CH2E ST 226.0 1.81 -CH2E XBR 166.0 1.924 -CH2E XCL 254.0 1.783 -CH2E XF 275.0 1.371 -CH2E XI 150.0 2.16 -CH3E C5R 345.0 1.47 -CH3E C5RP 345.0 1.47 -CH3E C6R 345.0 1.47 -CH3E C6RP 345.0 1.47 -CH3E CF1 240.0 1.503 -CH3E CF2 240.0 1.499 -CH3E CF3 240.0 1.497 -CH3E CH3E 240.0 1.54 -CH3E CT 240.0 1.54 -CH3E CUA1 300.0 1.51 -CH3E CUA2 300.0 1.51 -CH3E CUY1 350.0 1.46 -CH3E MSI 232.0 1.878 -CH3E N5R 390.0 1.47 -CH3E N6R 390.0 1.47 -CH3E NP 386.0 1.46 -CH3E NT 390.0 1.47 -CH3E OE 330.0 1.42 -CH3E OS 365.0 1.46 -CH3E OT 340.0 1.43 -CH3E PT 326.0 1.85 -CH3E SE 237.0 1.80 -CH3E SH1E 226.0 1.81 -CH3E SO1 199.0 1.81 -CH3E SO2 226.0 1.78 -CH3E ST 226.0 1.81 -CH3E XBR 166.0 1.924 -CH3E XCL 254.0 1.783 -CH3E XF 275.0 1.371 -CH3E XI 150.0 2.16 -CM O 650.0 1.20 -CM OM 1115.0 1.138 -CP3 CT 268.0 1.522 -CP3 NX 340.0 1.458 -CPH1 CPH1 410.0 1.36 -CPH1 CT 229.63 1.50 -CPH1 NR1 400.0 1.38 -CPH1 NR2 400.0 1.38 -CPH1 NR3 380.0 1.37 -CPH2 NR1 400.0 1.36 -CPH2 NR2 400.0 1.32 -CPH2 NR3 380.0 1.32 -CQ66 C6RE 450.0 1.39 -CQ66 CQ66 450.0 1.418 -CQ66 CR66 450.0 1.42 -CQ66 CS66 450.0 1.42 -CQ66 N6R 390.0 1.36 -CQ66 NR66 390.0 1.36 -CR55 C5RE 450.0 1.41 -CR55 CR55 450.0 1.420 -CR55 CR66 450.0 1.400 -CR55 N5R 390.0 1.36 -CR55 NR55 390.0 1.36 -CR55 O5R 400.0 1.36 -CR55 S5R 350.0 1.71 -CR56 C5RE 450.0 1.41 -CR56 CQ66 450.0 1.39 -CR56 CR55 450.0 1.40 -CR56 CR56 450.0 1.410 -CR56 CR66 450.0 1.380 -CR56 CT 345.0 1.47 -CR56 CUA1 325.0 1.49 -CR56 CUA2 325.0 1.49 -CR56 N5R 390.0 1.383 -CR56 N6R 390.0 1.342 -CR56 NC 400.0 1.33 -CR56 NO2 414.0 1.46 -CR56 NP 390.0 1.337 -CR56 NR56 390.0 1.36 -CR56 NR66 390.0 1.36 -CR56 NT 390.0 1.333 -CR56 O5R 400.0 1.36 -CR56 O6R 400.0 1.36 -CR56 OE 330.0 1.42 -CR56 OK 765.0 1.22 -CR56 OS 365.0 1.46 -CR56 OT 450.0 1.38 -CR56 S5R 350.0 1.71 -CR56 SO2 226.0 1.71 -CR56 XBR 300.0 1.88 -CR56 XCL 232.0 1.71 -CR56 XF 380.0 1.33 -CR56 XI 300.0 2.05 -CR66 C6RE 450.0 1.39 -CR66 CR66 450.0 1.418 -CR66 CS66 450.0 1.42 -CR66 CT 345.0 1.47 -CR66 CUA1 325.0 1.49 -CR66 CUA2 325.0 1.49 -CR66 N6R 390.0 1.36 -CR66 NC 400.0 1.33 -CR66 NO2 414.0 1.46 -CR66 NP 390.0 1.337 -CR66 NR66 390.0 1.36 -CR66 NT 390.0 1.333 -CR66 O6R 400.0 1.36 -CR66 OC 350.0 1.360 -CR66 OE 330.0 1.42 -CR66 OK 765.0 1.22 -CR66 OS 365.0 1.46 -CR66 OT 450.0 1.38 -CR66 SO1 226.0 1.71 -CR66 SO2 226.0 1.71 -CR66 XBR 300.0 1.88 -CR66 XCL 232.0 1.71 -CR66 XF 380.0 1.33 -CR66 XI 300.0 2.05 -CS66 CS66 450.0 1.418 -CT CT 268.0 1.529 -CT CT3 268.0 1.522 -CT CT4 268.0 1.522 -CT CUA1 385.0 1.502 -CT CUA2 385.0 1.502 -CT CUA3 385.0 1.502 -CT CUY1 350.0 1.46 -CT CUY2 350.0 1.46 -CT MAL 180.0 1.947 -CT MMG 250.0 2.12 -CT MSE 217.0 1.978 -CT N 279.0 1.46 -CT N3 279.0 1.479 -CT N5R 390.0 1.47 -CT N6R 390.0 1.47 -CT NC 300.0 1.44 -CT NC2 261.0 1.49 -CT NO2 340.0 1.51 -CT NP 310.0 1.450 -CT NT 340.0 1.458 -CT NX 310.0 1.458 -CT O2M 380.0 1.405 -CT OC 380.0 1.42 -CT OE 390.0 1.407 -CT OS 393.0 1.420 -CT OT 375.0 1.405 -CT PO3 326.0 1.82 -CT PT 200.0 1.855 -CT PUA1 250.0 1.80 -CT SE 237.0 1.800 -CT SH1E 226.0 1.81 -CT SO1 199.0 1.81 -CT SO2 226.0 1.785 -CT SO3 226.0 1.77 -CT ST 217.0 1.81 -CT XBR 166.0 1.944 -CT XCL 254.0 1.783 -CT XF 275.0 1.371 -CT XI 150.0 2.16 -CT3 CT3 268.0 1.481 -CT3 CUA1 385.0 1.515 -CT3 CUA3 385.0 1.515 -CT3 N3 275.0 1.475 -CT3 NT 275.0 1.48 -CT3 OE 320.0 1.44 -CT3 OT 320.0 1.417 -CT3 XCL 254.0 1.783 -CT3 XF 275.0 1.371 -CT4 CT4 308.0 1.550 -CT4 CUA1 385.0 1.520 -CT4 CUA2 385.0 1.520 -CT4 MSE 237.0 1.978 -CT4 NP 310.0 1.43 -CT4 NT 275.0 1.485 -CT4 NX 310.0 1.480 -CT4 OE 380.0 1.393 -CT4 OS 350.0 1.400 -CT4 OT 320.0 1.417 -CT4 SE 237.0 1.80 -CT4 ST 237.0 1.80 -CT4 XCL 254.0 1.783 -CT4 XF 275.0 1.371 -CUA1 CUA1 590.0 1.343 -CUA1 CUA2 410.0 1.466 -CUA1 CUA3 410.0 1.466 -CUA1 MSE 300.0 1.855 -CUA1 MSI 300.0 1.89 -CUA1 MSIU 550.0 1.718 -CUA1 N 390.0 1.335 -CUA1 N3 390.0 1.340 -CUA1 N5R 390.0 1.47 -CUA1 N6R 390.0 1.33 -CUA1 NP 390.0 1.47 -CUA1 NT 390.0 1.47 -CUA1 NX 390.0 1.47 -CUA1 O 360.0 1.33 -CUA1 OE 360.0 1.353 -CUA1 OS 390.0 1.33 -CUA1 OT 360.0 1.365 -CUA1 PT 215.0 1.825 -CUA1 S6R 390.0 1.33 -CUA1 SE 230.0 1.755 -CUA1 SO2 350.0 1.725 -CUA1 SO3 350.0 1.725 -CUA1 ST 230.0 1.750 -CUA1 XBR 185.0 1.89 -CUA1 XCL 232.0 1.71 -CUA1 XF 380.0 1.33 -CUA1 XI 300.0 2.05 -CUA2 CUA2 590.0 1.343 -CUA2 CUA3 410.0 1.466 -CUA2 MSE 300.0 1.855 -CUA2 MSI 300.0 1.89 -CUA2 N3 390.0 1.340 -CUA2 N6R 390.0 1.33 -CUA2 NP 390.0 1.47 -CUA2 NT 390.0 1.47 -CUA2 NX 390.0 1.40 -CUA2 OE 360.0 1.338 -CUA2 OS 390.0 1.33 -CUA2 OT 360.0 1.365 -CUA2 S6R 390.0 1.33 -CUA2 SE 230.0 1.755 -CUA2 SO2 350.0 1.725 -CUA2 SO3 350.0 1.725 -CUA2 ST 230.0 1.750 -CUA2 XBR 185.0 1.89 -CUA2 XCL 232.0 1.71 -CUA2 XF 380.0 1.33 -CUA2 XI 300.0 2.05 -CUA3 CUA3 590.0 1.343 -CUA3 NP 550.0 1.190 -CUA3 OE 360.0 1.338 -CUA3 SE 230.0 1.755 -CUA3 MSI 300.0 1.89 -CUY1 CUA1 345.0 1.430 -CUY1 CUA2 345.0 1.430 -CUY1 CUY1 1110.0 1.190 -CUY1 CUY2 350.0 1.46 -CUY1 MSE 300.0 1.750 -CUY1 MSI 300.0 1.75 -CUY1 N 1200.0 1.16 -CUY1 NP 400.0 1.30 -CUY1 OM 1115.0 1.19 -CUY1 OS 375.0 1.35 -CUY1 PT 300.0 1.79 -CUY1 SE 300.0 1.740 -CUY1 XF 380.0 1.30 -CUY2 CUA1 345.0 1.43 -CUY2 CUA2 345.0 1.43 -CUY2 CUY2 1110.0 1.19 -CUY2 N 1200.0 1.16 -CUY2 NP 400.0 1.30 -CUY2 OS 375.0 1.35 -H B 200.0 1.195 -H H 0.0 1.6329931 -H MSE 281.0 1.350 -H N 450.0 1.020 -H N3 450.0 1.020 -H N5R 450.0 0.98 -H N6R 450.0 0.98 -H NP 465.6 1.00 -H NR1 466.0 1.00 -H NR3 466.0 1.00 -H NT 425.0 1.012 -H NX 465.6 1.00 -H OE 505.0 0.966 -H OH2 450.0 1.00 -H OS 525.0 0.966 -H OT 505.0 0.948 -H OW 525.0 0.96 -H PT 443.0 1.425 -H PUA1 500.0 1.41 -H SE 281.0 1.35 -H SO1 281.0 1.34 -H ST 281.0 1.335 -H XBR 357.0 1.408 -H XCL 449.0 1.274 -H XF 840.0 0.917 -H XI 273.0 1.609 -HA C 314.0 1.087 -HA C5R 380.0 1.08 -HA C6R 370.0 1.08 -HA CF1 340.0 1.09 -HA CF2 340.0 1.09 -HA CF3 340.0 1.09 -HA CP3 317.13 1.08 -HA CPH1 365.0 1.083 -HA CPH2 340.0 1.083 -HA CT 340.0 1.09 -HA CT3 340.0 1.09 -HA CT4 340.0 1.09 -HA CUA1 365.0 1.074 -HA CUA2 365.0 1.074 -HA CUA3 365.0 1.074 -HA CUY1 427.0 1.055 -HA CUY2 427.0 1.055 -HA MAL 180.0 1.660 -HA MSIU 250.0 1.470 -HA PUA1 250.0 1.47 -HC NC 480.0 1.00 -HC NC2 455.0 1.00 -HC NT 480.0 1.04 -HMU B 200.0 1.340 -HO OT 505.0 0.948 -HT HT 0.0 1.5139 -HT OT 450.0 0.9572 -HT OW 450.0 0.9572 -LP NT 450.0 0.90 -LP O 450.0 0.80 -LP OH2 450.0 0.80 -N N 600.0 1.133 -N NO2 305.0 1.35 -N NP 350.0 1.216 -N NT 350.0 1.280 -N O 350.0 1.280 -N OC 350.0 1.300 -N OE 350.0 1.396 -N OT 350.0 1.375 -N SE 320.0 1.600 -N3 N3 350.0 1.436 -N5R N5R 470.0 1.365 -N5R N5RP 470.0 1.365 -N5R NP 470.0 1.365 -N5R NR56 470.0 1.365 -N5R O5R 400.0 1.300 -N5R OC 400.0 1.300 -N5R S5R 400.0 1.560 -N6R N5R 470.0 1.350 -N6R N6R 470.0 1.312 -N6R NR56 470.0 1.35 -N6R O 350.0 1.28 -N6RP N6RP 320.0 1.47 -NO2 O 362.0 1.220 -NO2 OE 350.0 1.502 -NP NO2 305.0 1.35 -NP NP 470.0 1.236 -NP NT 350.0 1.425 -NP OE 350.0 1.396 -NP OS 350.0 1.435 -NP OT 350.0 1.396 -NP PUA1 400.0 1.68 -NP XBR 300.0 1.84 -NP XCL 300.0 1.74 -NP XF 300.0 1.41 -NP XI 300.0 2.04 -NT MSI 400.0 1.718 -NT NT 470.0 1.425 -NT O 300.0 1.48 -NT OE 300.0 1.485 -NT OT 350.0 1.40 -NT XCL 300.0 1.73 -NX OE 350.0 1.396 -O5R S5R 350.0 1.56 -OE XF 350.0 1.411 -OM OM 600.0 1.23 -OS OS 450.0 1.415 -OS PT 300.0 1.630 -OS XCL 275.0 2.00 -OS XF 375.0 1.55 -OSH O2M 1726.168 0.0 -PO3 O 575.0 1.45 -PO3 OC 350.0 1.50 -PO3 OS 237.0 1.55 -PO3 OT 237.0 1.55 -PO3 SK 250.0 1.920 -PO4 O 395.0 1.50 -PO4 OC 455.0 1.55 -PO4 OS 237.0 1.56 -PO4 OT 257.0 1.60 -PT C5R 232.0 1.86 -PT C5RP 232.0 1.86 -PT C6R 300.0 1.820 -PT C6RP 232.0 1.86 -PT MSI 200.0 2.26 -PT NP 300.0 1.650 -PT NT 150.0 1.673 -PT NX 300.0 1.57 -PT O 575.0 1.47 -PT OC 455.0 1.58 -PT OE 455.0 1.63 -PT OT 455.0 1.58 -PT PT 300.0 2.218 -PT SE 300.0 2.10 -PT SK 300.0 1.940 -PT ST 200.0 2.09 -PT XBR 125.0 2.24 -PT XCL 144.0 2.00 -PT XF 352.0 1.573 -PT XI 100.0 2.49 -PUA1 PUA1 350.0 1.80 -SE OE 220.0 1.55 -SE SE 190.0 2.069 -SE XBR 300.0 2.43 -SE XCL 300.0 2.07 -SE XF 300.0 1.64 -SE XI 300.0 2.63 -SO1 O 513.0 1.49 -SO1 NP 250.0 1.62 -SO2 N 320.0 1.62 -SO2 N5R 320.0 1.60 -SO2 N6R 320.0 1.60 -SO2 NC 320.0 1.693 -SO2 NP 250.0 1.62 -SO2 NT 300.0 1.74 -SO2 O 660.0 1.432 -SO3 N 320.0 1.62 -SO3 NP 250.0 1.62 -SO3 NX 250.0 1.62 -SO3 O 660.0 1.44 -SO3 OC 260.0 1.57 -SO3 OE 260.0 1.57 -SO3 OS 237.0 1.54 -SO3 OT 260.0 1.57 -SO4 O 660.0 1.425 -SO4 OC 528.0 1.50 -SO4 OE 260.0 1.57 -SO4 OS 237.0 1.54 -SO4 OT 260.0 1.585 -ST ST 172.0 2.04 -ST XF 190.0 1.560 -XBR XBR 213.0 2.284 -XCL XCL 262.0 1.988 -XF XF 300.0 1.418 -XI XI 149.0 2.666 -MAG XF 350.0 2.46 -MAL C5R 80.0 1.82 -MAL C6R 80.0 1.820 -MAL CUY1 300.0 2.050 -MAL MAL 200.0 2.639 -MAL NT 200.0 1.910 -MAL O2M 265.0 1.77 -MAL OE 265.0 2.000 -MAL OS 265.0 1.77 -MAL OT 265.0 1.77 -MAL PT 265.0 2.530 -MAL XCL 377.0 2.065 -MAL XF 300.0 1.631 -MAL XI 300.0 2.458 -MAS C6R 300.0 1.922 -MAS CT 300.0 1.905 -MAS MAS 300.0 2.490 -MAS N 300.0 1.858 -MAS O 390.0 1.661 -MAS OE 300.0 1.710 -MAS OS 300.0 1.710 -MAS OT 300.0 1.710 -MAS PT 300.0 2.350 -MAS SE 375.0 2.235 -MAS SK 375.0 2.083 -MAS ST 300.0 2.275 -MAS XBR 300.0 2.326 -MAS XCL 100.0 2.166 -MAS XF 300.0 1.678 -MAS XI 200.0 2.557 -MAU XF 300.0 1.822 -MBA XF 300.0 2.69 -MBE C5R 50.0 1.933 -MBE CT 300.0 1.650 -MCA O 300.0 2.405 -MCA XF 300.0 2.37 -MCD CT 300.0 2.112 -MCD O 300.0 2.30 -MCD PT 300.0 2.560 -MCD XBR 300.0 2.394 -MCD XCL 300.0 2.440 -MCD XF 300.0 2.33 -MCE O 300.0 2.34 -MCE XBR 300.0 2.723 -MCE XCL 100.0 2.577 -MCE XF 300.0 2.035 -MCE XI 300.0 2.926 -MCO C 300.0 1.930 -MCO C4 300.0 1.930 -MCO CM 300.0 1.765 -MCO MCO 350.0 2.405 -MCO O 300.0 2.106 -MCO OE 300.0 1.970 -MCO PT 300.0 2.250 -MCO XBR 300.0 2.241 -MCO XCL 100.0 2.113 -MCR CM 300.0 1.92 -MCR MCR 350.0 2.25 -MCR MMO 350.0 2.05 -MCR O 300.0 1.575 -MCR XCL 250.0 2.126 -MCR XF 300.0 1.708 -MCS XF 300.0 3.00 -MCU HA 200.0 1.46 -MCU NP 69.0 1.89 -MCU NT 69.0 1.98 -MCU O 144.0 2.085 -MCU OE 144.0 1.96 -MCU OW 144.0 2.52 -MCU XCL 120.0 2.051 -MCU XF 200.0 1.745 -MCU XI 300.0 2.447 -MDY XBR 300.0 2.615 -MDY XCL 100.0 2.469 -MDY XI 300.0 2.818 -MER XBR 300.0 2.593 -MER XCL 100.0 2.447 -MER XI 300.0 2.796 -MEU XBR 300.0 2.650 -MEU XCL 100.0 2.504 -MEU XI 300.0 2.853 -FE CM 258.0 1.79 -FE HA 300.0 1.556 -FE FE 350.0 2.18 -FE N5R 65.0 1.98 -FE OE 250.0 1.8 -FE OM 250.0 1.8 -FE XCL 100.0 2.129 -MGA NT 300.0 2.111 -MGA O 300.0 2.00 -MGA PT 300.0 2.52 -MGA XBR 300.0 2.290 -MGA XCL 100.0 2.144 -MGD XBR 300.0 2.640 -MGD XCL 100.0 2.489 -MGD XI 300.0 2.841 -MGE CT 300.0 1.955 -MGE CUA1 300.0 1.926 -MGE CUY1 300.0 1.896 -MGE HA 200.0 1.525 -MGE MSE 150.0 2.344 -MGE O 300.0 1.74 -MGE SE 300.0 2.218 -MGE XBR 300.0 2.272 -MGE XCL 100.0 2.113 -MGE XF 300.0 1.739 -MHF XBR 300.0 2.450 -MHF XCL 100.0 2.316 -MHF XF 300.0 1.909 -MHF XI 300.0 2.662 -MHG CT 300.0 2.083 -MHG XBR 300.0 2.406 -MHG XCL 100.0 2.253 -MHG XF 300.0 2.40 -MHG XI 265.0 2.569 -MHO XBR 300.0 2.604 -MHO XCL 100.0 2.459 -MHO XI 300.0 2.807 -MIR XF 300.0 1.830 -MK XF 300.0 2.673 -MLA XBR 300.0 2.741 -MLA XCL 100.0 2.590 -MLA XI 300.0 2.938 -MLI O 300.0 2.159 -MLI XF 300.0 2.01 -MLU XBR 300.0 2.506 -MLU XCL 100.0 2.417 -MLU XI 300.0 2.771 -MMG C5R 50.0 2.328 -MMG O 300.0 2.094 -MMN CM 300.0 1.851 -MMN N 300.0 1.797 -MMN O 300.0 1.994 -MMN XBR 300.0 2.344 -MMN XCL 100.0 2.202 -MMN XF 300.0 1.813 -MMO CT 250.0 2.07 -MMO MMO 350.0 2.060 -MMO MW 350.0 2.1 -MMO N 250.0 2.30 -MMO O 250.0 1.920 -MMO OE 300.0 1.945 -MMO SE 300.0 2.350 -MMO ST 300.0 2.094 -MMO XBR 300.0 2.39 -MMO XCL 100.0 2.23 -MNA O 300.0 2.36 -MNA XF 350.0 2.31 -MNB MNB 350.0 2.68 -MNB O 300.0 1.976 -MND XBR 300.0 2.686 -MND XCL 100.0 2.540 -MND XI 300.0 2.881 -MNI CM 250.0 1.838 -MNI CT 250.0 2.11 -MNI N 300.0 1.797 -MNI O 300.0 2.06 -MNI XBR 300.0 2.212 -MNI XCL 100.0 2.180 -MNI XF 300.0 1.729 -MNP XF 300.0 1.981 -MOS MOS 350.0 2.34 -MOS XF 300.0 1.831 -MPB CT 300.0 2.238 -MPB XBR 300.0 2.597 -MPB XCL 100.0 2.445 -MPB XF 300.0 2.033 -MPB XI 300.0 2.804 -MPD NT 130.0 2.080 -MPD XCL 100.0 2.240 -MPM XBR 300.0 2.673 -MPM XCL 100.0 2.527 -MPM XI 300.0 2.876 -MPR XBR 300.0 2.693 -MPR XCL 100.0 2.553 -MPR XI 300.0 2.904 -MPT NT 170.0 2.160 -MPT XCL 115.0 2.310 -MPU XF 300.0 1.971 -MRE MRE 350.0 2.23 -MRE O 250.0 1.914 -MRE PT 250.0 2.55 -MRE XBR 300.0 2.511 -MRE XCL 200.0 2.40 -MRE XI 150.0 2.62 -MRH CT 250.0 2.095 -MRH HA 350.0 1.75 -MRH MRH 350.0 2.32 -MRH N 250.0 2.15 -MRH O 250.0 2.23 -MRH PT 250.0 2.34 -MRH SE 250.0 2.52 -MRU MRU 250.0 2.25 -MRU OT 150.0 2.30 -MRU PT 250.0 2.370 -MRU SE 250.0 2.298 -MRU XBR 150.0 2.453 -MRU XCL 150.0 2.59 -MSB C6R 200.0 2.100 -MSB CT 200.0 1.995 -MSB OE 200.0 2.000 -MSB XBR 300.0 2.490 -MSB XCL 300.0 2.333 -MSB XF 300.0 1.858 -MSB XI 300.0 2.719 -MSC XF 300.0 1.787 -MSE MSI 175.0 2.273 -MSE O 350.0 1.576 -MSE OE 300.0 1.697 -MSE PT 250.0 2.273 -MSE XBR 175.0 2.354 -MSE XF 300.0 1.686 -MSI C5R 300.0 1.89 -MSI CT 232.0 1.878 -MSI HA 202.0 1.484 -MSI MSI 133.0 2.348 -MSI MSIU 350.0 2.350 -MSI N5R 300.0 1.74 -MSI NP 300.0 1.75 -MSI O2M 0.0 0.0 -MSI OE 390.0 1.636 -MSI OS 390.0 1.64 -MSI OSH 0.0 0.0 -MSI OSI 490.0 1.630 -MSI OT 390.0 1.663 -MSI SE 300.0 2.14 -MSI XBR 300.0 2.29 -MSI XCL 300.0 2.026 -MSI XF 300.0 1.59 -MSIU CT 265.0 1.890 -MSIU MSIU 232.0 1.484 -MSM XBR 300.0 2.661 -MSM XCL 100.0 2.515 -MSM XI 300.0 2.864 -MSN C6R 200.0 2.150 -MSN CT 200.0 2.104 -MSN CUA1 200.0 2.116 -MSN CUY1 300.0 2.060 -MSN H 200.0 1.680 -MSN O 250.0 1.890 -MSN OE 200.0 2.060 -MSN XBR 300.0 2.512 -MSN XCL 100.0 2.281 -MSN XI 300.0 2.645 -MSR XF 300.0 2.51 -MTA CT 250.0 2.066 -MTA MTA 350.0 2.68 -MTA O 300.0 1.984 -MTA OE 300.0 1.910 -MTA XBR 300.0 2.412 -MTA XCL 100.0 2.227 -MTB XBR 300.0 2.626 -MTB XCL 100.0 2.478 -MTB XI 300.0 2.829 -MTC MTC 350.0 2.10 -MTC O 300.0 1.662 -MTC OE 300.0 1.935 -MTC SE 300.0 2.300 -MTC XCL 250.0 2.41 -MTH O 300.0 2.42 -MTH XBR 300.0 2.72 -MTH XCL 100.0 2.58 -MTH XF 300.0 2.14 -MTI CT 300.0 2.14 -MTI O 300.0 1.96 -MTI XBR 300.0 2.339 -MTI XCL 250.0 2.170 -MTI XF 300.0 1.745 -MTI XI 300.0 2.546 -MTL MTL 250.0 3.68 -MTL XF 300.0 2.29 -MTM XBR 300.0 2.583 -MTM XCL 100.0 2.437 -MTM XI 300.0 2.786 -MU O 300.0 2.37 -MU XBR 300.0 2.66 -MU XCL 100.0 2.53 -MU XF 300.0 2.06 -MV N 300.0 1.651 -MV O 144.0 1.611 -MV OS 200.0 1.960 -MV XBR 300.0 2.276 -MV XCL 250.0 2.142 -MV XF 300.0 1.729 -MW CM 300.0 2.05 -MW MW 350.0 2.275 -MW O 250.0 1.925 -MW PT 300.0 2.518 -MW SE 300.0 2.345 -MW XCL 100.0 2.248 -MYB XBR 300.0 2.571 -MYB XCL 100.0 2.425 -MYB XI 300.0 2.774 -MZN C5R 50.0 2.280 -MZN CT 300.0 1.929 -MZN O 300.0 2.099 -MZN XBR 300.0 2.204 -MZN XCL 100.0 2.062 -MZN XI 300.0 2.401 -MZR O 300.0 1.921 -MZR OE 300.0 2.102 -MZR XBR 300.0 2.465 -MZR XCL 267.0 2.350 -MZR XF 300.0 1.902 -MZR XI 300.0 2.660 -FE NP 500.0 2.09 !added by gwo -THETAS ! BOND ANGLES; bond angles -C C C 70.0 106.5! FROM B. R. GELIN THESIS WITH HARMONIC -C C CR1E 70.0 122.5! OF H ANGLES. -CR1E C NP 65.0 122.5 -C NP FE 50.0 128.0! FORCE CONSTANT FROM PARMFIX9 (added by Gwo-Yu) -C CR1E CH2E 90.0 122.0 -C CR1E C 90.0 126.5 -NP FE NP 50.0 90.0 -CT B OE 45.0 110.0 -H B CT 35.0 109.47 -H B OE 35.0 109.47 -H B H 35.0 115.0 -H B HMU 35.0 105.0 -HMU B HMU 35.0 120.0 -OE B OE 35.0 112.0 -OE B OT 35.0 112.0 -OT B OT 35.0 112.0 -SE B SE 70.0 120.0 -SE B XCL 70.0 120.0 -XF B XF 50.0 109.47 -C C C6R 65.0 120.0 -C C CF1 44.0 118.0 -C C CF2 44.0 118.0 -C C CF3 44.0 118.0 -C C CH1E 65.0 118.0 -C C CH2E 65.0 118.0 -C C CH3E 65.0 118.0 -C C CT 44.0 118.0 -C C CUA1 65.0 120.0 -C C CUA2 65.0 120.0 -C C CUA3 65.0 120.0 -C C N 65.0 120.0 -C C NP 65.0 120.0 -C C NT 65.0 120.0 -C C NX 65.0 115.5 -C C O 80.0 120.0 -C C OA 83.0 120.9 -C C OAC 80.0 120.0 -C C OK 80.0 120.0 -C C OS 60.0 117.5 -C C OT 75.0 114.5 -C C PT 70.0 108.0 -C C SE 60.0 120.0 -C5R C CUA1 70.0 117.5 -C5R C CUA2 70.0 117.5 -C5R C CUA3 70.0 117.5 -C5R C NC 70.0 120.0 -C5R C NP 70.0 117.5 -C5R C O 85.0 121.5 -C5R C OA 80.0 121.0 -C5R C OAC 85.0 121.5 -C5R C OC 85.0 118.5 -C5R C OK 90.0 121.5 -C5R C OS 60.0 115.0 -C5R C OT 60.0 115.0 -C5RP C NC 70.0 120.0 -C5RP C OC 85.0 118.5 -C6R C C6R 86.0 120.0 -C6R C CR66 70.0 120.0 -C6R C CUA1 70.0 117.5 -C6R C CUA2 70.0 117.5 -C6R C CUA3 70.0 117.5 -C6R C CUY1 85.0 112.5 -C6R C CUY2 85.0 112.5 -C6R C N 70.0 126.0 -C6R C N5R 85.0 108.0 -C6R C N6R 62.0 114.1 -C6R C NC 70.0 120.0 -C6R C NP 70.0 117.5 -C6R C O 86.0 127.0 -C6R C OA 80.0 124.5 -C6R C OAC 86.0 121.1 -C6R C OC 85.0 118.5 -C6R C OE 86.0 125.3 -C6R C OK 90.0 121.5 -C6R C OS 60.0 110.0 -C6R C OT 60.0 115.0 -C6R C XF 75.0 110.5 -C6RE C N6R 62.0 114.1 -C6RE C NP 65.0 120.0 -C6RE C O 86.0 125.3 -C6RE C OS 40.0 120.0 -C6RP C CUA1 70.0 117.5 -C6RP C CUA2 70.0 117.5 -C6RP C CUA3 70.0 117.5 -C6RP C NC 70.0 120.0 -C6RP C OA 80.0 121.0 -C6RP C OC 86.0 118.5 -C6RP C OK 90.0 121.5 -C6RP C OS 60.0 115.0 -C6RP C OT 60.0 115.0 -CF1 C C5R 70.0 117.0 -CF1 C C6R 70.0 117.0 -CF1 C CT 78.0 117.0 -CF1 C CT3 78.0 117.0 -CF1 C CT4 78.0 117.0 -CF1 C CUA1 70.0 117.5 -CF1 C CUA2 70.0 117.5 -CF1 C CUA3 70.0 117.5 -CF1 C N 58.0 120.0 -CF1 C N5R 60.0 117.0 -CF1 C N6R 60.0 117.0 -CF1 C NC 58.0 120.0 -CF1 C NP 44.0 113.0 -CF1 C NT 55.0 123.6 -CF1 C NX 64.0 112.9 -CF1 C O 98.0 121.9 -CF1 C OA 62.0 124.8 -CF1 C OAC 66.0 125.0 -CF1 C OC 85.0 118.5 -CF1 C OK 75.0 121.5 -CF1 C OS 60.0 111.0 -CF1 C OT 54.0 108.5 -CF1 C SE 67.0 123.2 -CF1 C SK 67.0 123.2 -CF1 C XBR 45.0 111.0 -CF1 C XCL 59.0 118.0 -CF1 C XF 75.0 118.0 -CF1 C XI 40.0 118.0 -CF2 C C5R 70.0 117.0 -CF2 C C6R 70.0 117.0 -CF2 C CT 78.0 117.0 -CF2 C CT3 78.0 117.0 -CF2 C CT4 78.0 117.0 -CF2 C CUA1 70.0 117.5 -CF2 C CUA2 70.0 117.5 -CF2 C CUA3 70.0 117.5 -CF2 C N 58.0 120.0 -CF2 C N5R 60.0 117.0 -CF2 C N6R 60.0 117.0 -CF2 C NC 58.0 120.0 -CF2 C NP 44.0 113.0 -CF2 C NT 55.0 123.6 -CF2 C NX 64.0 112.9 -CF2 C O 98.0 121.9 -CF2 C OA 62.0 124.8 -CF2 C OAC 66.0 125.0 -CF2 C OC 85.0 118.5 -CF2 C OK 75.0 121.5 -CF2 C OS 60.0 111.0 -CF2 C OT 54.0 108.5 -CF2 C SE 67.0 123.2 -CF2 C SK 67.0 123.2 -CF2 C XBR 45.0 111.0 -CF2 C XCL 59.0 118.0 -CF2 C XF 75.0 118.0 -CF2 C XI 40.0 118.0 -CF3 C C5R 70.0 117.0 -CF3 C C6R 70.0 117.0 -CF3 C CT 78.0 117.0 -CF3 C CT3 78.0 117.0 -CF3 C CT4 78.0 117.0 -CF3 C CUA1 70.0 117.5 -CF3 C CUA2 70.0 117.5 -CF3 C CUA3 70.0 117.5 -CF3 C N 58.0 120.0 -CF3 C N5R 60.0 117.0 -CF3 C N6R 60.0 117.0 -CF3 C NC 58.0 120.0 -CF3 C NP 44.0 113.0 -CF3 C NT 55.0 123.6 -CF3 C NX 64.0 112.9 -CF3 C O 98.0 121.9 -CF3 C OA 62.0 124.8 -CF3 C OAC 66.0 125.0 -CF3 C OC 85.0 118.5 -CF3 C OK 75.0 121.5 -CF3 C OS 60.0 111.0 -CF3 C OT 54.0 108.5 -CF3 C SE 67.0 123.2 -CF3 C SK 67.0 123.2 -CF3 C XBR 45.0 111.0 -CF3 C XCL 59.0 118.0 -CF3 C XF 75.0 118.0 -CF3 C XI 40.0 118.0 -CH1E C C5R 70.0 117.0 -CH1E C C6R 70.0 117.0 -CH1E C CF1 65.0 117.0 -CH1E C CF2 65.0 117.0 -CH1E C CF3 65.0 117.0 -CH1E C CH1E 65.0 117.0 -CH1E C CH2E 65.0 117.0 -CH1E C CH3E 65.0 117.0 -CH1E C CT 65.0 117.0 -CH1E C CUA1 70.0 117.5 -CH1E C CUA2 70.0 117.5 -CH1E C CUA3 70.0 117.5 -CH1E C N5R 58.0 120.0 -CH1E C N6R 58.0 120.0 -CH1E C NC 58.0 120.0 -CH1E C NP 64.0 113.9 -CH1E C NX 64.0 112.9 -CH1E C O 66.0 122.6 -CH1E C OA 80.0 122.0 -CH1E C OAC 66.0 122.6 -CH1E C OC 85.0 118.5 -CH1E C OK 90.0 121.5 -CH1E C OS 60.0 115.0 -CH1E C OT 60.0 115.0 -CH1E C XBR 59.0 118.0 -CH1E C XCL 59.0 118.0 -CH1E C XF 59.0 118.0 -CH1E C XI 59.0 118.0 -CH2E C C5R 70.0 117.0 -CH2E C C6R 70.0 117.0 -CH2E C CF1 65.0 117.0 -CH2E C CF2 65.0 117.0 -CH2E C CF3 65.0 117.0 -CH2E C CH2E 65.0 117.0 -CH2E C CH3E 65.0 117.0 -CH2E C CT 65.0 117.0 -CH2E C CUA1 70.0 117.5 -CH2E C CUA2 70.0 117.5 -CH2E C CUA3 70.0 117.5 -CH2E C N5R 60.0 117.0 -CH2E C N6R 60.0 117.0 -CH2E C NC 58.0 120.0 -CH2E C NP 64.0 113.9 -CH2E C NX 64.0 112.9 -CH2E C O 66.0 122.6 -CH2E C OA 80.0 121.0 -CH2E C OAC 66.0 122.6 -CH2E C OC 85.0 118.5 -CH2E C OK 90.0 121.5 -CH2E C OS 60.0 115.0 -CH2E C OT 60.0 115.0 -CH2E C XBR 59.0 118.0 -CH2E C XCL 59.0 118.0 -CH2E C XF 59.0 118.0 -CH2E C XI 59.0 118.0 -CH3E C C5R 70.0 117.0 -CH3E C C6R 70.0 117.0 -CH3E C CH3E 65.0 117.0 -CH3E C CT 65.0 117.0 -CH3E C CUA1 70.0 117.5 -CH3E C CUA2 70.0 117.5 -CH3E C CUA3 70.0 117.5 -CH3E C N5R 60.0 117.0 -CH3E C N6R 60.0 117.0 -CH3E C NC 58.0 120.0 -CH3E C NP 64.0 113.9 -CH3E C NX 64.0 112.9 -CH3E C O 66.0 122.6 -CH3E C OA 80.0 122.0 -CH3E C OAC 66.0 122.6 -CH3E C OC 85.0 118.5 -CH3E C OK 90.0 121.5 -CH3E C OS 60.0 115.0 -CH3E C OT 60.0 115.0 -CH3E C XBR 59.0 118.0 -CH3E C XCL 59.0 118.0 -CH3E C XF 59.0 118.0 -CH3E C XI 59.0 118.0 -CR56 C N6R 62.0 111.3 -CR56 C NP 62.0 120.0 -CR56 C O 86.0 128.8 -CR66 C NP 90.0 120.0 -CR66 C O 120.0 120.0 -CT C C5R 70.0 117.0 -CT C C6R 70.0 117.0 -CT C CT 58.0 117.0 -CT C CT3 78.0 117.0 -CT C CT4 78.0 117.0 -CT C CUA1 70.0 117.5 -CT C CUA2 70.0 117.5 -CT C CUA3 70.0 117.5 -CT C N 58.0 120.0 -CT C N5R 60.0 117.0 -CT C N6R 60.0 117.0 -CT C NC 58.0 120.0 -CT C NP 44.0 113.0 -CT C NT 55.0 123.6 -CT C NX 64.0 112.9 -CT C O 98.0 121.9 -CT C OA 62.0 124.8 -CT C OAC 66.0 124.0 -CT C OC 85.0 118.5 -CT C OE 75.0 114.0 -CT C OK 75.0 121.5 -CT C OS 60.0 113.5 -CT C OT 54.0 110.6 -CT C SE 67.0 114.1 -CT C SK 67.0 123.2 -CT C XBR 45.0 111.0 -CT C XCL 59.0 118.0 -CT C XF 75.0 118.0 -CT C XI 40.0 118.0 -CT3 C NP 75.0 120.0 -CT3 C O 75.0 121.5 -CT3 C OA 75.0 121.5 -CT3 C OAC 75.0 125.0 -CT3 C OK 75.0 121.5 -CT3 C OS 75.0 111.0 -CT4 C NP 64.0 113.9 -CT4 C O 75.0 121.5 -CT4 C OA 75.0 121.5 -CT4 C OK 75.0 121.5 -CUA1 C CUA1 55.0 120.0 -CUA1 C N 55.0 119.0 -CUA1 C N5R 55.0 119.0 -CUA1 C N6R 55.0 119.0 -CUA1 C NC 55.0 119.0 -CUA1 C NP 55.0 119.0 -CUA1 C NT 55.0 119.0 -CUA1 C NX 55.0 119.0 -CUA1 C O 40.0 120.0 -CUA1 C OA 85.0 124.6 -CUA1 C OAC 40.0 120.0 -CUA1 C OC 40.0 120.0 -CUA1 C OK 40.0 120.0 -CUA1 C OS 40.0 120.0 -CUA1 C OT 40.0 120.0 -CUA1 C SE 60.0 120.0 -CUA1 C XCL 40.0 120.0 -CUA2 C N5R 55.0 119.0 -CUA2 C N6R 55.0 119.0 -CUA2 C NC 55.0 119.0 -CUA2 C NP 55.0 119.0 -CUA2 C NX 55.0 119.0 -CUA2 C O 40.0 120.0 -CUA2 C OA 85.0 124.0 -CUA2 C OAC 40.0 120.0 -CUA2 C OC 40.0 120.0 -CUA2 C OK 40.0 120.0 -CUA2 C OS 40.0 120.0 -CUY1 C CUY1 55.0 120.0 -CUY1 C CUY2 55.0 120.0 -CUY1 C O 80.0 120.0 -CUY1 C OA 55.0 123.0 -CUY1 C OAC 80.0 120.0 -CUY1 C OT 55.0 116.5 -CUY2 C CUY2 55.0 120.0 -CUY2 C O 80.0 120.0 -CUY2 C OA 55.0 123.0 -HA C C 38.0 115.1 -HA C C5R 45.0 117.0 -HA C C6R 45.0 114.5 -HA C CF1 45.0 117.0 -HA C CF2 45.0 117.0 -HA C CF3 45.0 117.0 -HA C CH1E 45.0 117.0 -HA C CH2E 45.0 117.0 -HA C CH3E 45.0 117.0 -HA C CT 45.0 115.2 -HA C CUA1 38.0 115.0 -HA C CUA2 38.0 110.0 -HA C CUA3 38.0 110.0 -HA C HA 30.0 120.0 -HA C N 55.0 124.0 -HA C N5R 55.0 120.0 -HA C N6R 55.0 118.0 -HA C NC 55.0 120.0 -HA C NP 55.0 110.4 -HA C NT 55.0 120.0 -HA C O 50.0 124.5 -HA C OA 38.0 124.0 -HA C OAC 50.0 123.5 -HA C OE 50.0 120.0 -HA C OS 52.0 111.5 -HA C OT 52.0 110.0 -HA C PUA1 50.0 120.0 -HA C SE 40.0 124.0 -HA C XBR 40.0 120.0 -HA C XCL 40.0 120.0 -HA C XF 40.0 120.0 -HA C XI 40.0 120.0 -MCO C MCO 55.0 120.0 -MCO C O 55.0 120.0 -MSI C O 50.0 120.0 -MSI C OAC 50.0 120.0 -N C NC 50.0 120.0 -N C NP 50.0 108.0 -N C NT 50.0 126.0 -N C N 50.0 126.0 -N C NX 50.0 108.0 -N C O 70.0 120.0 -N C OE 50.0 117.0 -N C SE 50.0 114.0 -N C SK 50.0 180.0 -N C XBR 50.0 126.0 -N5R C N 70.0 126.0 -N5R C N5R 70.0 106.0 -N5R C NP 70.0 127.0 -N5R C NT 70.0 120.0 -N6R C N6R 62.0 117.0 -N6R C NP 70.0 119.8 -N6R C NT 62.0 117.0 -N6R C O 70.0 121.0 -NC C NC 70.0 120.0 -NC C NP 70.0 120.0 -NC C OE 70.0 120.0 -NP C NO2 65.0 126.0 -NP C NP 90.0 117.0 -NP C NT 70.0 122.5 -NP C NX 90.0 117.0 -NP C O 98.0 125.1 -NP C OA 84.0 122.0 -NP C OAC 98.0 125.1 -NP C OE 84.0 120.0 -NP C OS 95.0 115.5 -NP C SE 50.0 109.0 -NP C SK 50.0 123.9 -NP C SO2 50.0 136.5 -NP C XBR 50.0 126.0 -NP C XF 50.0 125.0 -NT C O 55.0 120.0 -NT C OAC 55.0 120.0 -NT C SE 55.0 126.5 -NX C NT 70.0 122.5 -NX C NX 70.0 118.0 -NX C O 98.0 124.5 -NX C OS 95.0 115.5 -NX C SE 65.0 120.0 -NX C SK 70.0 120.0 -O C OC 81.0 123.0 -O C OS 81.0 124.4 -O C OT 100.0 126.5 -O C SE 75.0 124.0 -O C XBR 121.0 116.5 -O C XCL 121.0 116.5 -O C XF 121.0 116.5 -O C XI 121.0 116.5 -OA C OS 81.0 123.5 -OA C OT 85.0 120.0 -OA C XBR 121.0 116.5 -OA C XCL 121.0 116.5 -OA C XF 121.0 116.5 -OA C XI 121.0 116.5 -OAC C OC 81.0 124.4 -OAC C OS 81.0 122.5 -OAC C OT 100.0 123.9 -OAC C XBR 121.0 116.5 -OAC C XCL 121.0 116.5 -OAC C XF 121.0 116.5 -OAC C XI 121.0 116.5 -OC C OC 85.0 123.0 -OC C OT 85.0 120.0 -OS C OS 81.0 111.5 -OS C OT 60.0 116.5 -OS C XBR 70.0 120.0 -OS C XCL 70.0 120.0 -OS C XF 70.0 120.0 -SE C SE 70.0 111.0 -SE C SK 60.0 120.0 -SE C SO2 50.0 136.5 -XF C PT 49.0 120.0 -XF C XF 50.0 120.0 -CT3 C3 O 55.0 150.0 -CT3 C3 OK 55.0 150.0 -CT4 C4 CT4 58.0 92.0 -CT4 C4 NX 45.0 92.0 -CT4 C4 O 55.0 134.0 -CT4 C4 OK 55.0 134.0 -MCO C4 MCO 55.0 90.0 -MCO C4 O 55.0 135.0 -NP C4 O 98.0 135.0 -NX C4 O 98.0 132.0 -C C5R C5R 70.0 128.0 -C C5R CR56 70.0 125.0 -C C5R N5R 70.0 126.0 -C C5R O5R 70.0 126.0 -C C5R S5R 70.0 126.0 -C5R C5R C5R 70.0 108.0 -C5R C5R C5RE 70.0 108.0 -C5R C5R C5RP 70.0 108.0 -C5R C5R C5RQ 70.0 108.0 -C5R C5R CR55 70.0 108.0 -C5R C5R CR56 70.0 107.0 -C5R C5R CUA1 90.0 126.0 -C5R C5R CUA2 90.0 126.0 -C5R C5R MBE 10.0 140.0 -C5R C5R MSE 70.0 126.0 -C5R C5R N5R 65.0 106.5 -C5R C5R N5RP 65.0 106.5 -C5R C5R NP 65.0 126.0 -C5R C5R NR55 65.0 107.0 -C5R C5R NR56 70.0 107.0 -C5R C5R O5R 95.0 111.0 -C5R C5R OE 65.0 126.0 -C5R C5R OK 65.0 126.0 -C5R C5R OS 80.0 126.0 -C5R C5R OT 65.0 126.0 -C5R C5R S5R 95.0 113.0 -C5R C5R SE 65.0 126.5 -C5R C5R XBR 65.0 126.0 -C5R C5R XCL 65.0 126.0 -C5R C5R XF 65.0 126.0 -C5R C5R XI 65.0 126.0 -C5RE C5R C5RE 65.0 108.0 -C5RE C5R CR55 65.0 108.0 -C5RE C5R CR56 65.0 107.0 -C5RE C5R CUA1 90.0 126.0 -C5RE C5R CUA2 90.0 126.0 -C5RE C5R CUA3 90.0 126.0 -C5RE C5R N5R 65.0 112.0 -C5RE C5R NR55 65.0 107.0 -C5RE C5R NR56 65.0 107.0 -C5RE C5R OE 65.0 126.0 -C5RE C5R OK 65.0 126.0 -C5RE C5R OS 80.0 126.0 -C5RE C5R OT 65.0 126.0 -C5RE C5R XBR 65.0 126.0 -C5RE C5R XCL 65.0 126.0 -C5RE C5R XF 65.0 126.0 -C5RE C5R XI 65.0 126.0 -C5RP C5R CR55 70.0 108.0 -C5RP C5R CR56 70.0 107.0 -C5RP C5R NR56 70.0 107.0 -C5RP C5R O5R 95.0 111.0 -C5RP C5R S5R 95.0 107.0 -C5RP C5R XBR 65.0 126.0 -C5RP C5R XCL 65.0 126.0 -C5RP C5R XF 65.0 126.0 -C5RP C5R XI 65.0 126.0 -CH1E C5R C5RE 65.0 126.0 -CH1E C5R CR55 65.0 127.0 -CH1E C5R CR56 65.0 127.0 -CH1E C5R N5R 60.0 122.0 -CH1E C5R NR55 60.0 122.0 -CH1E C5R O5R 60.0 123.0 -CH1E C5R S5R 60.0 121.0 -CH2E C5R C5R 65.0 126.0 -CH2E C5R C5RE 65.0 126.0 -CH2E C5R CR55 65.0 127.0 -CH2E C5R CR56 65.0 127.0 -CH2E C5R N5R 60.0 122.0 -CH2E C5R NR55 60.0 122.0 -CH2E C5R O5R 60.0 123.0 -CH2E C5R S5R 60.0 121.0 -CH3E C5R C5R 65.0 126.0 -CH3E C5R C5RE 65.0 126.0 -CH3E C5R CR55 65.0 127.0 -CH3E C5R CR56 65.0 127.0 -CH3E C5R N5R 60.0 122.0 -CH3E C5R NR55 60.0 122.0 -CH3E C5R O5R 60.0 123.0 -CH3E C5R S5R 60.0 121.0 -CR55 C5R CUA1 90.0 127.0 -CR55 C5R CUA2 90.0 127.0 -CR55 C5R CUA3 90.0 127.0 -CR55 C5R N5R 65.0 112.0 -CR55 C5R NR55 70.0 107.0 -CR55 C5R O5R 95.0 110.0 -CR55 C5R OE 60.0 127.0 -CR55 C5R OK 65.0 127.0 -CR55 C5R OS 60.0 127.0 -CR55 C5R OT 65.0 127.0 -CR55 C5R S5R 95.0 114.0 -CR55 C5R XBR 65.0 127.0 -CR55 C5R XCL 65.0 127.0 -CR55 C5R XF 65.0 127.0 -CR55 C5R XI 65.0 127.0 -CR56 C5R CR55 65.0 107.0 -CR56 C5R CR56 65.0 107.0 -CR56 C5R CUA1 90.0 127.0 -CR56 C5R CUA2 90.0 127.0 -CR56 C5R CUA3 90.0 127.0 -CR56 C5R N5R 65.0 112.0 -CR56 C5R NR56 65.0 107.0 -CR56 C5R O5R 95.0 110.0 -CR56 C5R OE 60.0 127.0 -CR56 C5R OK 65.0 127.0 -CR56 C5R OS 60.0 127.0 -CR56 C5R OT 65.0 127.0 -CR56 C5R S5R 95.0 114.0 -CR56 C5R SE 65.0 126.0 -CR56 C5R XBR 65.0 127.0 -CR56 C5R XCL 65.0 127.0 -CR56 C5R XF 65.0 127.0 -CR56 C5R XI 65.0 127.0 -CT C5R C5R 70.0 126.0 -CT C5R C5RE 70.0 126.0 -CT C5R C5RP 70.0 126.0 -CT C5R C5RQ 70.0 126.0 -CT C5R CR55 70.0 127.0 -CT C5R CR56 70.0 127.0 -CT C5R CUA1 50.0 125.0 -CT C5R CUA2 50.0 125.0 -CT C5R CUA3 50.0 125.0 -CT C5R N5R 58.0 122.0 -CT C5R N5RP 70.0 122.0 -CT C5R NR55 70.0 122.0 -CT C5R NR56 70.0 122.0 -CT C5R O5R 60.0 123.0 -CT C5R S5R 60.0 121.0 -CUA2 C5R N5R 90.0 127.0 -HA C5R C5R 23.0 126.0 -HA C5R C5RP 23.0 126.0 -HA C5R C5RQ 23.0 126.0 -HA C5R CR55 23.0 126.0 -HA C5R CR56 23.0 127.0 -HA C5R N5R 25.0 126.0 -HA C5R N5RP 25.0 126.0 -HA C5R N6R 25.0 126.0 -HA C5R NR55 25.0 126.0 -HA C5R NR56 25.0 126.0 -HA C5R O5R 25.0 126.0 -HA C5R PUA1 25.0 120.0 -HA C5R S5R 25.0 126.0 -N5R C5R CUA1 90.0 127.0 -N5R C5R N5R 100.0 115.0 -N5R C5R N6R 70.0 104.0 -N5R C5R NP 70.0 127.0 -N5R C5R NR56 70.0 106.0 -N5R C5R NT 70.0 127.0 -N5R C5R O5R 100.0 112.0 -N5R C5R OE 50.0 126.0 -N5R C5R S5R 100.0 112.0 -N5R C5R XCL 55.0 127.0 -NP C5R O5R 65.0 126.0 -NP C5R S5R 65.0 126.0 -S5R C5R SO2 65.0 126.0 -C5R C5RE C5R 65.0 108.0 -C5R C5RE C5RE 65.0 108.0 -C5R C5RE N5R 65.0 112.0 -C5R C5RE O5R 65.0 112.0 -C5R C5RE S5R 65.0 112.0 -C5RE C5RE C5RE 65.0 108.0 -C5RE C5RE N5R 65.0 112.0 -C5RE C5RE O5R 65.0 112.0 -C5RE C5RE S5R 65.0 112.0 -CR55 C5RE C5R 65.0 107.0 -CR55 C5RE C5RE 65.0 107.0 -CR55 C5RE N5R 65.0 112.0 -CR55 C5RE O5R 65.0 112.0 -CR55 C5RE S5R 65.0 107.0 -CR56 C5RE C5R 65.0 107.0 -CR56 C5RE C5RE 65.0 107.0 -CR56 C5RE N5R 65.0 107.0 -CR56 C5RE NR56 65.0 107.0 -CR56 C5RE O5R 65.0 107.0 -CR56 C5RE S5R 65.0 107.0 -N5R C5RE N5R 65.0 104.0 -N5R C5RE O5R 65.0 104.0 -N5R C5RE S5R 65.0 104.0 -C5R C5RP C5R 70.0 108.0 -C5R C5RP C6RP 70.0 126.0 -C5R C5RP CR55 70.0 108.0 -C5R C5RP CR56 70.0 107.0 -C5R C5RP N5R 65.0 112.0 -C5R C5RP N5RP 65.0 112.0 -C5R C5RP NR55 65.0 107.0 -C5R C5RP NR56 70.0 107.0 -C5R C5RP S5R 95.0 108.0 -C5RP C5RP C5R 70.0 126.0 -C5RP C5RP N5R 65.0 126.0 -C5RP C5RP O5R 70.0 126.0 -C5RP C5RP S5R 70.0 126.0 -CR55 C5RP N5R 65.0 112.0 -CR55 C5RP N5RP 70.0 127.0 -CR55 C5RP O5R 95.0 110.0 -CR55 C5RP S5R 95.0 114.0 -HA C5RP N5R 25.0 122.0 -N5R C5RP C5RQ 60.0 127.0 -N5R C5RP C6RP 60.0 127.0 -N5R C5RP N5R 70.0 104.0 -N5R C5RP N5RP 70.0 106.0 -N5R C5RP O5R 100.0 112.0 -N5R C5RP S5R 100.0 112.0 -O5R C5RP C6RP 60.0 127.0 -S5R C5RP C6RP 60.0 127.0 -C5R C5RQ C5R 70.0 108.0 -C5R C5RQ N5R 65.0 112.0 -C5R C5RQ NR55 65.0 107.0 -C5RP C5RQ C5R 70.0 108.0 -C5RP C5RQ N5R 65.0 126.0 -C5RP C5RQ O5R 70.0 126.0 -C5RP C5RQ S5R 70.0 126.0 -CR55 C5RQ N5R 65.0 112.0 -CR55 C5RQ O5R 95.0 110.0 -CR55 C5RQ S5R 95.0 114.0 -N5R C5RQ C5RQ 60.0 127.0 -N5R C5RQ C6RP 60.0 127.0 -N5R C5RQ N5R 70.0 104.0 -N5R C5RQ O5R 100.0 112.0 -N5R C5RQ S5R 100.0 112.0 -O5R C5RQ C6RP 60.0 127.0 -S5R C5RQ C6RP 60.0 127.0 -C C6R C 70.0 120.0 -C C6R C6RE 70.0 120.0 -C C6R C6RP 70.0 120.0 -C C6R C6RQ 70.0 120.0 -C C6R CH3E 70.0 120.0 -C C6R CQ66 70.0 120.0 -C C6R CR66 70.0 120.0 -C C6R CS66 70.0 120.0 -C C6R CT 70.0 120.0 -C C6R N 70.0 120.0 -C C6R N6R 70.0 120.0 -C C6R N6RP 70.0 120.0 -C C6R NP 70.0 120.0 -C C6R NR66 70.0 120.0 -C C6R O6R 70.0 120.0 -C C6R P6R 70.0 120.0 -C6R C6R C 70.0 120.0 -C6R C6R C6R 70.0 120.0 -C6R C6R C6RE 70.0 120.0 -C6R C6R C6RP 70.0 120.0 -C6R C6R C6RQ 70.0 120.0 -C6R C6R CF1 70.0 120.0 -C6R C6R CF2 70.0 120.0 -C6R C6R CF3 70.0 120.0 -C6R C6R CQ66 70.0 123.0 -C6R C6R CR56 70.0 120.0 -C6R C6R CR66 70.0 123.0 -C6R C6R CS66 70.0 123.0 -C6R C6R CT 70.0 122.0 -C6R C6R CT3 70.0 122.0 -C6R C6R CUA1 90.0 120.0 -C6R C6R CUA2 90.0 120.0 -C6R C6R CUA3 90.0 120.0 -C6R C6R CUY1 90.0 118.0 -C6R C6R CUY2 90.0 118.0 -C6R C6R MAL 65.0 120.0 -C6R C6R MAS 65.0 120.0 -C6R C6R MSE 65.0 120.0 -C6R C6R MSI 65.0 124.0 -C6R C6R N 65.0 118.0 -C6R C6R N5R 70.0 120.0 -C6R C6R N6R 65.0 124.0 -C6R C6R N6RP 65.0 124.0 -C6R C6R NO2 75.0 113.0 -C6R C6R NP 65.0 120.0 -C6R C6R NR56 65.0 120.0 -C6R C6R NR66 65.0 120.0 -C6R C6R NT 65.0 120.0 -C6R C6R O 86.0 122.0 -C6R C6R O6R 70.0 120.0 -C6R C6R OC 70.0 120.0 -C6R C6R OE 55.0 120.0 -C6R C6R OK 65.0 120.0 -C6R C6R OS 80.0 116.0 -C6R C6R OT 65.0 120.0 -C6R C6R P6R 70.0 120.0 -C6R C6R PO3 65.0 120.0 -C6R C6R PT 50.0 120.0 -C6R C6R S6R 80.0 120.0 -C6R C6R SE 65.0 120.0 -C6R C6R SO1 65.0 120.0 -C6R C6R SO2 65.0 118.0 -C6R C6R SO3 65.0 120.0 -C6R C6R ST 65.0 120.0 -C6R C6R XBR 65.0 119.0 -C6R C6R XCL 65.0 115.0 -C6R C6R XF 65.0 114.0 -C6R C6R XI 70.0 120.0 -C6RE C6R C6RE 65.0 120.0 -C6RE C6R CQ66 65.0 120.0 -C6RE C6R CR56 65.0 120.0 -C6RE C6R CR66 65.0 120.0 -C6RE C6R CS66 65.0 120.0 -C6RE C6R CUA1 90.0 120.0 -C6RE C6R CUA2 90.0 120.0 -C6RE C6R CUA3 90.0 120.0 -C6RE C6R N6R 65.0 120.0 -C6RE C6R N6RP 65.0 120.0 -C6RE C6R NP 65.0 120.0 -C6RE C6R NR56 65.0 120.0 -C6RE C6R NR66 70.0 120.0 -C6RE C6R NT 65.0 120.0 -C6RE C6R NX 65.0 120.0 -C6RE C6R O6R 65.0 120.0 -C6RE C6R OE 60.0 120.0 -C6RE C6R OK 65.0 120.0 -C6RE C6R OS 60.0 120.0 -C6RE C6R OT 65.0 120.0 -C6RE C6R OH1 65.0 120.0 -C6RE C6R P6R 70.0 120.0 -C6RE C6R XBR 65.0 120.0 -C6RE C6R XCL 65.0 120.0 -C6RE C6R XF 65.0 120.0 -C6RE C6R XI 65.0 120.0 -C6RP C6R CR56 70.0 120.0 -C6RP C6R N6R 70.0 120.0 -C6RP C6R N6RP 70.0 120.0 -C6RP C6R NP 70.0 120.0 -C6RP C6R O 86.0 122.0 -C6RP C6R O6R 70.0 120.0 -C6RP C6R OE 60.0 120.0 -C6RP C6R OT 70.0 120.0 -C6RP C6R P6R 70.0 120.0 -C6RP C6R XCL 65.0 120.0 -C6RP C6R XF 65.0 120.0 -C6RP C6R XI 70.0 120.0 -C6RP C6R C6RE 70.0 120.0 -CH1E C6R C6R 65.0 120.0 -CH1E C6R C6RE 65.0 120.0 -CH1E C6R CR56 65.0 120.0 -CH1E C6R CR66 65.0 120.0 -CH1E C6R N6R 60.0 120.0 -CH1E C6R NR66 60.0 120.0 -CH1E C6R OE 60.0 120.0 -CH1E C6R OS 60.0 120.0 -CH1E C6R S6R 60.0 120.0 -CH2E C6R C6R 65.0 120.0 -CH2E C6R C6RE 65.0 120.0 -CH2E C6R CR56 65.0 120.0 -CH2E C6R CR66 65.0 120.0 -CH2E C6R N6R 60.0 120.0 -CH2E C6R NR66 60.0 120.0 -CH2E C6R OE 60.0 120.0 -CH2E C6R OS 60.0 120.0 -CH2E C6R S6R 60.0 120.0 -CH3E C6R C6R 65.0 120.0 -CH3E C6R C6RE 65.0 120.0 -CH3E C6R CR56 65.0 120.0 -CH3E C6R CR66 65.0 120.0 -CH3E C6R N6R 60.0 120.0 -CH3E C6R NR66 60.0 120.0 -CH3E C6R OE 60.0 120.0 -CH3E C6R OS 60.0 120.0 -CH3E C6R S6R 60.0 120.0 -CQ66 C6R C6RP 90.0 120.0 -CQ66 C6R C6RQ 90.0 120.0 -CQ66 C6R CQ66 90.0 124.0 -CQ66 C6R CR66 90.0 124.0 -CQ66 C6R CT 70.0 120.0 -CQ66 C6R CT3 70.0 120.0 -CQ66 C6R CUA1 90.0 120.0 -CQ66 C6R CUA2 90.0 120.0 -CQ66 C6R N6R 65.0 120.0 -CQ66 C6R N6RP 65.0 120.0 -CQ66 C6R NR66 65.0 120.0 -CQ66 C6R OE 70.0 120.0 -CR56 C6R CQ66 70.0 120.0 -CR56 C6R CR56 70.0 120.0 -CR56 C6R CR66 70.0 120.0 -CR56 C6R CS66 70.0 120.0 -CR56 C6R CT 70.0 120.0 -CR56 C6R CUA1 90.0 120.0 -CR56 C6R CUA2 90.0 120.0 -CR56 C6R CUA3 90.0 120.0 -CR56 C6R N6R 65.0 120.0 -CR56 C6R N6RP 65.0 120.0 -CR56 C6R NP 70.0 123.5 -CR56 C6R NR56 70.0 120.0 -CR56 C6R NR66 70.0 120.0 -CR56 C6R OE 60.0 120.0 -CR56 C6R OK 65.0 120.0 -CR56 C6R OS 60.0 120.0 -CR56 C6R OT 65.0 120.0 -CR56 C6R S6R 90.0 120.0 -CR56 C6R ST 60.0 120.0 -CR56 C6R XBR 65.0 120.0 -CR56 C6R XCL 65.0 120.0 -CR56 C6R XF 65.0 120.0 -CR56 C6R XI 65.0 120.0 -CR66 C6R C6RP 90.0 120.0 -CR66 C6R C6RQ 90.0 120.0 -CR66 C6R CR66 90.0 124.0 -CR66 C6R CT 55.0 118.0 -CR66 C6R CT3 70.0 120.0 -CR66 C6R CUA1 90.0 120.0 -CR66 C6R CUA2 90.0 120.0 -CR66 C6R CUA3 90.0 120.0 -CR66 C6R N6R 65.0 120.0 -CR66 C6R N6RP 65.0 120.0 -CR66 C6R NP 65.0 120.0 -CR66 C6R NR66 65.0 120.0 -CR66 C6R OE 60.0 120.0 -CR66 C6R OK 65.0 120.0 -CR66 C6R OS 60.0 120.0 -CR66 C6R OT 65.0 120.0 -CR66 C6R S6R 90.0 120.0 -CR66 C6R SO2 60.0 120.0 -CR66 C6R SO3 60.0 120.0 -CR66 C6R ST 60.0 120.0 -CR66 C6R XBR 65.0 120.0 -CR66 C6R XCL 65.0 120.0 -CR66 C6R XF 65.0 120.0 -CR66 C6R XI 65.0 120.0 -CT C6R C6RE 70.0 120.0 -CT C6R C6RP 60.0 120.0 -CT C6R C6RQ 70.0 120.0 -CT C6R N6R 58.0 120.0 -CT C6R N6RP 70.0 120.0 -CT C6R NR56 70.0 120.0 -CT C6R O6R 70.0 120.0 -CT C6R OE 60.0 120.0 -CT C6R OS 60.0 120.0 -CT C6R P6R 70.0 120.0 -CT C6R S6R 60.0 120.0 -CUA1 C6R N6R 60.0 120.0 -CUA1 C6R N6RP 60.0 120.0 -HA C6R C 28.0 120.0 -HA C6R C6R 31.0 120.0 -HA C6R C6RP 31.0 120.0 -HA C6R C6RQ 31.0 120.0 -HA C6R CQ66 31.0 120.0 -HA C6R CR56 31.0 120.0 -HA C6R CR66 31.0 120.0 -HA C6R CS66 31.0 120.0 -HA C6R N5R 23.0 120.0 -HA C6R N6R 31.0 120.0 -HA C6R N6RP 31.0 120.0 -HA C6R NP 31.0 120.0 -HA C6R NR56 31.0 120.0 -HA C6R NR66 31.0 120.0 -HA C6R O6R 31.0 120.0 -HA C6R OE 31.0 120.0 -HA C6R OS 31.0 120.0 -HA C6R P6R 31.0 120.0 -HA C6R PUA1 31.0 120.0 -HA C6R S6R 31.0 120.0 -N6R C6R N 65.0 120.0 -N6R C6R N5R 70.0 120.0 -N6R C6R N6R 70.0 128.0 -N6R C6R N6RP 70.0 126.0 -N6R C6R NP 70.0 119.8 -N6R C6R NR56 70.0 120.0 -N6R C6R O 70.0 122.0 -N6R C6R OE 60.0 120.0 -N6R C6R OS 60.0 120.0 -N6R C6R P6R 70.0 120.0 -N6R C6R S6R 60.0 120.0 -N6R C6R SE 65.0 120.0 -N6R C6R XBR 65.0 120.0 -N6R C6R XCL 65.0 120.0 -N6R C6R XF 65.0 120.0 -N6R C6R XI 65.0 120.0 -NP C6R NP 70.0 120.0 -NP C6R P6R 70.0 120.0 -OE C6R NP 70.0 119.8 -OE C6R OE 60.0 120.0 -OE C6R OS 60.0 120.0 -OE C6R S6R 60.0 120.0 -OS C6R NP 70.0 119.8 -OS C6R OS 60.0 120.0 -OS C6R S6R 60.0 120.0 -S6R C6R NP 70.0 119.8 -S6R C6R S6R 60.0 120.0 -C6R C6RE C6R 65.0 120.0 -C6R C6RE C6RE 65.0 120.0 -C6R C6RE N6R 65.0 120.0 -C6R C6RE N6RP 65.0 120.0 -C6R C6RE OE 65.0 120.0 -C6R C6RE OS 65.0 120.0 -C6R C6RE P6R 70.0 120.0 -C6R C6RE S6R 65.0 120.0 -C6RE C6RE C 65.0 120.0 -C6RE C6RE C6RE 65.0 120.0 -C6RE C6RE C6RP 65.0 120.0 -C6RE C6RE C6RQ 65.0 120.0 -C6RE C6RE N6R 65.0 120.0 -C6RE C6RE N6RP 65.0 120.0 -C6RE C6RE O6R 65.0 120.0 -C6RE C6RE OE 65.0 120.0 -C6RE C6RE OS 65.0 120.0 -C6RE C6RE P6R 70.0 120.0 -C6RE C6RE S6R 65.0 120.0 -CQ66 C6RE C6R 65.0 120.0 -CQ66 C6RE C6RE 65.0 120.0 -CQ66 C6RE N6R 65.0 120.0 -CQ66 C6RE NR66 65.0 120.0 -CR56 C6RE C6R 65.0 120.0 -CR56 C6RE C6RE 65.0 120.0 -CR56 C6RE N6R 65.0 120.0 -CR56 C6RE N6RP 65.0 120.0 -CR56 C6RE NR56 65.0 120.0 -CR56 C6RE OE 65.0 120.0 -CR56 C6RE OS 65.0 120.0 -CR56 C6RE S6R 65.0 120.0 -CR66 C6RE C6R 65.0 120.0 -CR66 C6RE C6RE 65.0 120.0 -CR66 C6RE N6R 65.0 120.0 -CR66 C6RE N6RP 65.0 120.0 -CR66 C6RE NR66 65.0 120.0 -CR66 C6RE OE 65.0 120.0 -CR66 C6RE OS 65.0 120.0 -CR66 C6RE S6R 65.0 120.0 -N6R C6RE N6R 65.0 120.0 -N6R C6RE OE 60.0 120.0 -N6R C6RE OS 60.0 120.0 -N6R C6RE S6R 60.0 120.0 -OE C6RE OE 60.0 120.0 -OE C6RE OS 60.0 120.0 -OE C6RE S6R 60.0 120.0 -OS C6RE OS 60.0 120.0 -OS C6RE S6R 60.0 120.0 -S6R C6RE S6R 60.0 120.0 -C6R C6RP C 70.0 120.0 -C6R C6RP C5RP 65.0 120.0 -C6R C6RP C5RQ 65.0 120.0 -C6R C6RP C6R 70.0 118.0 -C6R C6RP C6RP 70.0 121.0 -C6R C6RP C6RQ 70.0 118.0 -C6R C6RP CQ66 70.0 120.0 -C6R C6RP CR56 70.0 120.0 -C6R C6RP CR66 70.0 120.0 -C6R C6RP CS66 70.0 120.0 -C6R C6RP N5RP 70.0 120.0 -C6R C6RP N6R 70.0 120.0 -C6R C6RP N6RP 70.0 120.0 -C6R C6RP NR56 70.0 120.0 -C6R C6RP NR66 70.0 120.0 -C6R C6RP O6R 70.0 120.0 -C6R C6RP OC 70.0 120.0 -C6R C6RP OE 65.0 120.0 -C6R C6RP OS 80.0 120.0 -C6R C6RP P6R 70.0 120.0 -C6R C6RP S6R 80.0 120.0 -C6RE C6RP C6RE 65.0 120.0 -C6RE C6RP C6RP 65.0 120.0 -C6RE C6RP C6RQ 65.0 120.0 -C6RP C6RP C 70.0 120.0 -C6RP C6RP C6RQ 70.0 121.0 -C6RP C6RP NR56 70.0 120.0 -C6RP C6RP OC 70.0 120.0 -CQ66 C6RP C6RP 70.0 120.0 -CR66 C6RP C6RP 70.0 120.0 -N6R C6RP C6RP 70.0 120.0 -N6R C6RP C6RQ 70.0 120.0 -C6R C6RQ C6RP 70.0 118.0 -C6R C6RQ C6RQ 70.0 121.0 -C6RP C6RQ C 70.0 120.0 -C6RP C6RQ C6RQ 70.0 121.0 -CQ66 C6RQ C6RP 70.0 120.0 -CQ66 C6RQ C6RQ 70.0 120.0 -CR66 C6RQ C6RP 70.0 120.0 -N6R C6RQ C6RP 70.0 120.0 -C CF1 CF1 55.0 109.47 -C CF1 CF2 55.0 109.47 -C CF1 CF3 55.0 109.47 -C CF1 CT 55.0 109.47 -C CF1 XF 55.0 109.47 -CF1 CF1 CF1 58.0 112.7 -CF1 CF1 CF2 58.0 112.7 -CF1 CF1 CF3 58.0 112.7 -CF1 CF1 CP3 26.0 109.47 -CF1 CF1 CT 58.35 112.70 -CF1 CF1 CT3 58.35 112.7 -CF1 CF1 CT4 58.35 112.7 -CF1 CF1 CUA1 45.0 112.90 -CF1 CF1 CUA2 45.0 112.90 -CF1 CF1 CUA3 45.0 112.90 -CF1 CF1 CUY1 90.0 110.50 -CF1 CF1 CUY2 90.0 110.50 -CF1 CF1 MSI 45.0 109.47 -CF1 CF1 N 65.0 109.47 -CF1 CF1 N5R 46.5 111.0 -CF1 CF1 N6R 46.5 111.0 -CF1 CF1 NO2 47.0 108.60 -CF1 CF1 NP 65.0 109.47 -CF1 CF1 NT 65.0 110.50 -CF1 CF1 NX 65.0 112.3 -CF1 CF1 OC 55.0 109.47 -CF1 CF1 OE 47.0 109.47 -CF1 CF1 OS 80.0 109.47 -CF1 CF1 OT 57.0 103.00 -CF1 CF1 PO3 50.0 109.47 -CF1 CF1 PT 50.0 109.47 -CF1 CF1 PUA1 50.0 109.47 -CF1 CF1 SE 53.0 109.47 -CF1 CF1 SO1 50.0 110.5 -CF1 CF1 SO2 53.0 110.5 -CF1 CF1 SO3 50.0 110.5 -CF1 CF1 ST 40.0 113.8 -CF1 CF1 XBR 44.0 108.47 -CF1 CF1 XCL 45.0 109.47 -CF1 CF1 XF 45.0 109.47 -CF1 CF1 XI 45.0 109.47 -CF2 CF1 CF2 58.0 112.7 -CF2 CF1 CF3 58.0 112.7 -CF2 CF1 CP3 26.0 109.47 -CF2 CF1 CT 58.35 112.70 -CF2 CF1 CT3 58.35 112.7 -CF2 CF1 CT4 58.35 112.7 -CF2 CF1 CUA1 45.0 112.90 -CF2 CF1 CUA2 45.0 112.90 -CF2 CF1 CUA3 45.0 112.90 -CF2 CF1 CUY1 90.0 110.50 -CF2 CF1 CUY2 90.0 110.50 -CF2 CF1 MSI 45.0 109.47 -CF2 CF1 N 65.0 109.47 -CF2 CF1 N5R 46.5 111.0 -CF2 CF1 N6R 46.5 111.0 -CF2 CF1 NO2 47.0 108.60 -CF2 CF1 NP 65.0 109.47 -CF2 CF1 NT 65.0 110.50 -CF2 CF1 NX 65.0 112.3 -CF2 CF1 OC 55.0 109.47 -CF2 CF1 OE 47.0 109.47 -CF2 CF1 OS 80.0 109.47 -CF2 CF1 OT 57.0 103.00 -CF2 CF1 PO3 50.0 109.47 -CF2 CF1 PT 50.0 109.47 -CF2 CF1 PUA1 50.0 109.47 -CF2 CF1 SE 53.0 109.47 -CF2 CF1 SO1 50.0 110.5 -CF2 CF1 SO2 53.0 110.5 -CF2 CF1 SO3 50.0 110.5 -CF2 CF1 ST 40.0 113.8 -CF2 CF1 XBR 44.0 108.47 -CF2 CF1 XCL 45.0 109.47 -CF2 CF1 XF 45.0 109.47 -CF2 CF1 XI 45.0 109.47 -CF3 CF1 CF3 58.0 112.7 -CF3 CF1 CP3 26.0 109.47 -CF3 CF1 CT 58.35 112.70 -CF3 CF1 CT3 58.35 112.7 -CF3 CF1 CT4 58.35 112.7 -CF3 CF1 CUA1 45.0 112.90 -CF3 CF1 CUA2 45.0 112.90 -CF3 CF1 CUA3 45.0 112.90 -CF3 CF1 CUY1 90.0 110.50 -CF3 CF1 CUY2 90.0 110.50 -CF3 CF1 MSI 45.0 109.47 -CF3 CF1 N 65.0 109.47 -CF3 CF1 N5R 46.5 111.0 -CF3 CF1 N6R 46.5 111.0 -CF3 CF1 NO2 47.0 108.60 -CF3 CF1 NP 65.0 109.47 -CF3 CF1 NT 65.0 110.50 -CF3 CF1 NX 65.0 112.3 -CF3 CF1 OC 55.0 109.47 -CF3 CF1 OE 47.0 109.47 -CF3 CF1 OS 80.0 109.47 -CF3 CF1 OT 57.0 103.00 -CF3 CF1 PO3 50.0 109.47 -CF3 CF1 PT 50.0 109.47 -CF3 CF1 PUA1 50.0 109.47 -CF3 CF1 SE 53.0 109.47 -CF3 CF1 SO1 50.0 110.5 -CF3 CF1 SO2 53.0 110.5 -CF3 CF1 SO3 50.0 110.5 -CF3 CF1 ST 40.0 113.8 -CF3 CF1 XBR 44.0 108.47 -CF3 CF1 XCL 45.0 109.47 -CF3 CF1 XF 45.0 109.47 -CF3 CF1 XI 45.0 109.47 -CT CF1 CT 45.0 109.47 -CT CF1 CT3 58.35 112.7 -CT CF1 CT4 58.35 112.7 -CT CF1 CUA1 45.0 112.90 -CT CF1 CUA2 45.0 112.90 -CT CF1 CUA3 45.0 112.90 -CT CF1 CUY1 90.0 110.50 -CT CF1 CUY2 90.0 110.50 -CT CF1 MAS 45.0 109.47 -CT CF1 MBE 45.0 109.47 -CT CF1 MMG 45.0 109.47 -CT CF1 MSI 45.0 109.47 -CT CF1 N 65.0 109.47 -CT CF1 N5R 46.5 111.0 -CT CF1 N6R 46.5 111.0 -CT CF1 NO2 47.0 108.60 -CT CF1 NP 65.0 109.47 -CT CF1 NT 65.0 110.50 -CT CF1 NX 65.0 112.3 -CT CF1 OC 55.0 109.47 -CT CF1 OE 47.0 109.47 -CT CF1 OS 80.0 109.47 -CT CF1 OT 57.0 103.00 -CT CF1 PO3 50.0 109.47 -CT CF1 PT 50.0 109.47 -CT CF1 PUA1 50.0 109.47 -CT CF1 SE 53.0 109.47 -CT CF1 SO1 50.0 110.5 -CT CF1 SO2 53.0 110.5 -CT CF1 SO3 50.0 110.5 -CT CF1 ST 40.0 113.8 -CT CF1 XBR 44.0 108.47 -CT CF1 XCL 45.0 109.47 -CT CF1 XF 47.0 109.47 -CT CF1 XI 45.0 109.47 -CUA1 CF1 XF 60.0 109.47 -CUY1 CF1 XF 50.0 109.47 -HA CF1 CF1 37.0 110.0 -HA CF1 CF2 37.0 110.0 -HA CF1 CF3 37.0 110.0 -HA CF1 CT 37.5 110.0 -HA CF1 CUA1 50.0 110.0 -HA CF1 HA 33.0 109.47 -HA CF1 NT 37.0 110.0 -HA CF1 XF 40.0 109.47 -N CF1 XF 50.0 109.47 -NP CF1 XF 50.0 109.47 -NT CF1 XCL 60.0 109.47 -NT CF1 XF 65.0 109.47 -OE CF1 XF 115.0 109.47 -SE CF1 XF 110.0 109.47 -XBR CF1 XF 50.0 109.47 -XCL CF1 XF 50.0 109.47 -C CF2 CF1 55.0 109.47 -C CF2 CF2 55.0 109.47 -C CF2 CF3 55.0 109.47 -C CF2 CT 55.0 109.47 -C CF2 XF 55.0 109.47 -CF1 CF2 CF1 58.0 112.7 -CF1 CF2 CF2 58.0 112.7 -CF1 CF2 CF3 58.0 112.7 -CF1 CF2 CP3 26.0 109.47 -CF1 CF2 CT 58.35 112.70 -CF1 CF2 CT3 58.35 112.7 -CF1 CF2 CT4 58.35 112.7 -CF1 CF2 CUA1 45.0 112.90 -CF1 CF2 CUA2 45.0 112.90 -CF1 CF2 CUA3 45.0 112.90 -CF1 CF2 CUY1 90.0 110.50 -CF1 CF2 CUY2 90.0 110.50 -CF1 CF2 MSI 45.0 109.47 -CF1 CF2 N 65.0 109.47 -CF1 CF2 N5R 46.5 111.0 -CF1 CF2 N6R 46.5 111.0 -CF1 CF2 NO2 47.0 108.60 -CF1 CF2 NP 65.0 109.47 -CF1 CF2 NT 65.0 110.50 -CF1 CF2 NX 65.0 112.3 -CF1 CF2 OC 55.0 109.47 -CF1 CF2 OE 47.0 109.47 -CF1 CF2 OS 80.0 109.47 -CF1 CF2 OT 57.0 103.00 -CF1 CF2 PO3 50.0 109.47 -CF1 CF2 PT 50.0 109.47 -CF1 CF2 PUA1 50.0 109.47 -CF1 CF2 SE 53.0 109.47 -CF1 CF2 SO1 50.0 110.5 -CF1 CF2 SO2 53.0 110.5 -CF1 CF2 SO3 50.0 110.5 -CF1 CF2 ST 40.0 113.8 -CF1 CF2 XBR 44.0 108.47 -CF1 CF2 XCL 45.0 109.47 -CF1 CF2 XF 45.0 109.47 -CF1 CF2 XI 45.0 109.47 -CF2 CF2 CF2 58.0 112.7 -CF2 CF2 CF3 58.0 112.7 -CF2 CF2 CP3 26.0 109.47 -CF2 CF2 CT 58.35 112.70 -CF2 CF2 CT3 58.35 112.7 -CF2 CF2 CT4 58.35 112.7 -CF2 CF2 CUA1 45.0 112.90 -CF2 CF2 CUA2 45.0 112.90 -CF2 CF2 CUA3 45.0 112.90 -CF2 CF2 CUY1 90.0 110.50 -CF2 CF2 CUY2 90.0 110.50 -CF2 CF2 MSI 45.0 109.47 -CF2 CF2 N 65.0 109.47 -CF2 CF2 N5R 46.5 111.0 -CF2 CF2 N6R 46.5 111.0 -CF2 CF2 NO2 47.0 108.60 -CF2 CF2 NP 65.0 109.47 -CF2 CF2 NT 65.0 110.50 -CF2 CF2 NX 65.0 112.3 -CF2 CF2 OC 55.0 109.47 -CF2 CF2 OE 47.0 109.47 -CF2 CF2 OS 80.0 109.47 -CF2 CF2 OT 57.0 103.00 -CF2 CF2 PO3 50.0 109.47 -CF2 CF2 PT 50.0 109.47 -CF2 CF2 PUA1 50.0 109.47 -CF2 CF2 SE 53.0 109.47 -CF2 CF2 SO1 50.0 110.5 -CF2 CF2 SO2 53.0 110.5 -CF2 CF2 SO3 50.0 110.5 -CF2 CF2 ST 40.0 113.8 -CF2 CF2 XBR 44.0 108.47 -CF2 CF2 XCL 45.0 109.47 -CF2 CF2 XF 45.0 109.47 -CF2 CF2 XI 45.0 109.47 -CF3 CF2 CF3 58.0 112.7 -CF3 CF2 CP3 26.0 109.47 -CF3 CF2 CT 58.35 112.70 -CF3 CF2 CT3 58.35 112.7 -CF3 CF2 CT4 58.35 112.7 -CF3 CF2 CUA1 45.0 112.90 -CF3 CF2 CUA2 45.0 112.90 -CF3 CF2 CUA3 45.0 112.90 -CF3 CF2 CUY1 90.0 110.50 -CF3 CF2 CUY2 90.0 110.50 -CF3 CF2 MSI 45.0 109.47 -CF3 CF2 N 65.0 109.47 -CF3 CF2 N5R 46.5 111.0 -CF3 CF2 N6R 46.5 111.0 -CF3 CF2 NO2 47.0 108.60 -CF3 CF2 NP 65.0 109.47 -CF3 CF2 NT 65.0 110.50 -CF3 CF2 NX 65.0 112.3 -CF3 CF2 OC 55.0 109.47 -CF3 CF2 OE 47.0 109.47 -CF3 CF2 OS 80.0 109.47 -CF3 CF2 OT 57.0 103.00 -CF3 CF2 PO3 50.0 109.47 -CF3 CF2 PT 50.0 109.47 -CF3 CF2 PUA1 50.0 109.47 -CF3 CF2 SE 53.0 109.47 -CF3 CF2 SO1 50.0 110.5 -CF3 CF2 SO2 53.0 110.5 -CF3 CF2 SO3 50.0 110.5 -CF3 CF2 ST 40.0 113.8 -CF3 CF2 XBR 44.0 108.47 -CF3 CF2 XCL 45.0 109.47 -CF3 CF2 XF 45.0 109.47 -CF3 CF2 XI 45.0 109.47 -CT CF2 CT 45.0 109.47 -CT CF2 CT3 58.35 112.7 -CT CF2 CT4 58.35 112.7 -CT CF2 CUA1 45.0 112.90 -CT CF2 CUA2 45.0 112.90 -CT CF2 CUA3 45.0 112.90 -CT CF2 CUY1 90.0 110.50 -CT CF2 CUY2 90.0 110.50 -CT CF2 MAS 45.0 109.47 -CT CF2 MBE 45.0 109.47 -CT CF2 MMG 45.0 109.47 -CT CF2 MSI 45.0 109.47 -CT CF2 N 65.0 109.47 -CT CF2 N5R 46.5 111.0 -CT CF2 N6R 46.5 111.0 -CT CF2 NO2 47.0 108.60 -CT CF2 NP 65.0 109.47 -CT CF2 NT 65.0 110.50 -CT CF2 NX 65.0 112.3 -CT CF2 OC 55.0 109.47 -CT CF2 OE 47.0 109.47 -CT CF2 OS 80.0 109.47 -CT CF2 OT 57.0 103.00 -CT CF2 PO3 50.0 109.47 -CT CF2 PT 50.0 109.47 -CT CF2 PUA1 50.0 109.47 -CT CF2 SE 53.0 109.47 -CT CF2 SO1 50.0 110.5 -CT CF2 SO2 53.0 110.5 -CT CF2 SO3 50.0 110.5 -CT CF2 ST 40.0 113.8 -CT CF2 XBR 44.0 108.47 -CT CF2 XCL 45.0 109.47 -CT CF2 XF 47.0 109.47 -CT CF2 XI 45.0 109.47 -CUA1 CF2 XF 60.0 109.47 -CUY1 CF2 XF 50.0 109.47 -HA CF2 CF1 37.0 110.0 -HA CF2 CF2 37.0 110.0 -HA CF2 CF3 37.0 110.0 -HA CF2 CT 37.5 110.0 -HA CF2 CUA1 50.0 110.0 -HA CF2 HA 33.0 109.47 -HA CF2 NT 37.0 110.0 -HA CF2 XF 40.0 109.47 -N CF2 XF 50.0 109.47 -NP CF2 XF 50.0 109.47 -OE CF2 XF 115.0 109.47 -SE CF2 XF 110.0 109.47 -ST CF2 ST 50.0 109.47 -ST CF2 XF 50.0 109.47 -XBR CF2 XF 50.0 109.47 -XCL CF2 XF 50.0 109.47 -XF CF2 XF 110.0 109.47 -C CF3 CF1 55.0 109.47 -C CF3 CF2 55.0 109.47 -C CF3 CF3 55.0 109.47 -C CF3 XF 55.0 109.47 -CF1 CF3 XF 45.0 109.47 -CF2 CF3 XF 45.0 109.47 -CF3 CF3 XF 45.0 109.47 -CT CF3 XF 75.0 115.00 -CUA1 CF3 XF 60.0 109.47 -CUY1 CF3 XF 50.0 109.47 -HA CF3 CF1 37.0 110.0 -HA CF3 CF2 37.0 110.0 -HA CF3 CF3 37.0 110.0 -HA CF3 XF 40.0 109.47 -N CF3 XF 50.0 109.47 -NP CF3 XF 50.0 109.47 -OE CF3 XF 115.0 109.47 -SE CF3 XF 110.0 109.47 -XF CF3 XF 110.0 112.3 -C CH1E C 70.0 113.0 -C CH1E C5R 70.0 109.47 -C CH1E C6R 70.0 109.47 -C CH1E CF1 70.0 110.8 -C CH1E CF2 70.0 110.8 -C CH1E CF3 70.0 110.8 -C CH1E CH1E 70.0 109.47 -C CH1E CH2E 52.0 109.6 -C CH1E CH3E 52.0 109.6 -C CH1E CT 71.0 110.8 -C CH1E CUA1 70.0 109.47 -C CH1E CUA2 70.0 109.47 -C CH1E NP 58.0 112.8 -C CH1E NT 70.0 111.6 -C CH1E NX 70.0 111.6 -C CH1E OE 80.0 109.47 -C CH1E OS 80.0 109.47 -C CH1E OT 80.0 109.47 -C CH1E XBR 103.0 109.47 -C CH1E XCL 103.0 109.47 -C CH1E XF 60.0 109.47 -C CH1E XI 103.0 109.47 -C5R CH1E C5R 70.0 109.47 -C5R CH1E C6R 70.0 109.47 -C5R CH1E CT 70.0 113.0 -C5R CH1E NP 70.0 111.6 -C5R CH1E NT 70.0 111.6 -C5R CH1E NX 70.0 111.6 -C5R CH1E OE 52.0 109.6 -C5R CH1E OS 80.0 109.47 -C5R CH1E OT 80.0 109.47 -C5R CH1E XBR 103.0 109.47 -C5R CH1E XCL 103.0 109.47 -C5R CH1E XF 60.0 109.47 -C5R CH1E XI 103.0 109.47 -C6R CH1E C6R 70.0 109.47 -C6R CH1E CF1 70.0 109.47 -C6R CH1E CF2 70.0 109.47 -C6R CH1E CF3 70.0 109.47 -C6R CH1E CT 70.0 113.0 -C6R CH1E NP 70.0 111.6 -C6R CH1E NT 70.0 111.6 -C6R CH1E NX 70.0 111.6 -C6R CH1E OE 80.0 109.47 -C6R CH1E OS 80.0 109.47 -C6R CH1E OT 80.0 109.47 -C6R CH1E XBR 103.0 109.47 -C6R CH1E XCL 103.0 109.47 -C6R CH1E XF 60.0 109.47 -C6R CH1E XI 103.0 109.47 -CH1E CH1E C5R 70.0 109.47 -CH1E CH1E C6R 70.0 109.47 -CH1E CH1E CF1 45.0 109.47 -CH1E CH1E CF2 45.0 109.47 -CH1E CH1E CF3 45.0 109.47 -CH1E CH1E CH1E 45.0 110.3 -CH1E CH1E CH2E 45.0 110.3 -CH1E CH1E CH3E 45.0 110.3 -CH1E CH1E CT 45.0 112.5 -CH1E CH1E N5R 46.5 111.0 -CH1E CH1E N6R 46.5 111.0 -CH1E CH1E NP 65.0 109.47 -CH1E CH1E NT 65.0 107.47 -CH1E CH1E NX 65.0 104.0 -CH1E CH1E OE 80.0 109.47 -CH1E CH1E OS 80.0 109.47 -CH1E CH1E OT 80.0 109.47 -CH1E CH1E SH1E 50.0 112.5 -CH1E CH1E ST 50.0 112.5 -CH1E CH1E XBR 96.0 109.47 -CH1E CH1E XCL 96.0 109.47 -CH1E CH1E XF 60.0 109.47 -CH1E CH1E XI 96.0 109.47 -CH2E CH1E C5R 70.0 109.47 -CH2E CH1E C6R 70.0 109.47 -CH2E CH1E CF1 65.0 109.47 -CH2E CH1E CF2 65.0 109.47 -CH2E CH1E CF3 65.0 109.47 -CH2E CH1E CH2E 50.0 112.5 -CH2E CH1E CH3E 50.0 112.5 -CH2E CH1E CT 50.0 112.5 -CH2E CH1E CUY1 90.0 110.5 -CH2E CH1E N5R 46.5 111.0 -CH2E CH1E N6R 46.5 111.0 -CH2E CH1E NP 65.0 109.47 -CH2E CH1E NT 65.0 109.47 -CH2E CH1E NX 65.0 104.0 -CH2E CH1E OE 80.0 109.47 -CH2E CH1E OS 80.0 109.47 -CH2E CH1E OT 80.0 109.47 -CH2E CH1E PT 50.0 109.47 -CH2E CH1E SH1E 50.0 112.5 -CH2E CH1E SO2 50.0 112.5 -CH2E CH1E ST 50.0 112.5 -CH2E CH1E XBR 96.0 109.47 -CH2E CH1E XCL 96.0 109.47 -CH2E CH1E XF 60.0 109.47 -CH2E CH1E XI 96.0 109.47 -CH3E CH1E C5R 70.0 109.47 -CH3E CH1E C6R 70.0 109.47 -CH3E CH1E CH3E 50.0 112.5 -CH3E CH1E CT 71.0 112.1 -CH3E CH1E CUY1 70.0 109.47 -CH3E CH1E NP 76.0 111.0 -CH3E CH1E NT 65.0 109.47 -CH3E CH1E NX 65.0 109.47 -CH3E CH1E OE 80.0 109.47 -CH3E CH1E OS 80.0 109.47 -CH3E CH1E OT 80.0 110.47 -CH3E CH1E PT 65.0 109.47 -CH3E CH1E SH1E 50.0 112.5 -CH3E CH1E ST 50.0 112.5 -CH3E CH1E XBR 96.0 109.47 -CH3E CH1E XCL 96.0 109.47 -CH3E CH1E XF 60.0 109.47 -CH3E CH1E XI 96.0 109.47 -CT CH1E CT 71.0 112.10 -CT CH1E NP 67.0 110.60 -CT CH1E NT 65.0 109.47 -CT CH1E NX 65.0 109.47 -CT CH1E OE 80.0 109.47 -CT CH1E OS 80.0 109.47 -CT CH1E OT 80.0 109.47 -CT CH1E SH1E 50.0 112.5 -CT CH1E ST 50.0 112.5 -CT CH1E XBR 96.0 109.47 -CT CH1E XCL 96.0 109.47 -CT CH1E XF 60.0 109.47 -CT CH1E XI 96.0 109.47 -CUA1 CH1E C6R 70.0 109.47 -CUA1 CH1E NP 70.0 109.47 -CUA2 CH1E C6R 70.0 109.47 -CUA2 CH1E NP 70.0 109.47 -NP CH1E PT 80.0 109.47 -NT CH1E SE 65.0 109.47 -OE CH1E N5R 46.5 111.0 -OE CH1E N6R 46.5 111.0 -OE CH1E OE 80.0 109.47 -OE CH1E OT 80.0 109.47 -SO2 CH1E NT 50.0 112.0 -XBR CH1E XBR 100.0 109.47 -XBR CH1E XCL 100.0 109.47 -XBR CH1E XF 100.0 109.47 -XCL CH1E XCL 100.0 109.47 -XCL CH1E XF 100.0 109.47 -XF CH1E XF 110.0 109.47 -C CH2E C 70.0 113.0 -C CH2E C5R 70.0 109.47 -C CH2E C6R 70.0 109.47 -C CH2E CF1 70.0 109.47 -C CH2E CF2 70.0 109.47 -C CH2E CF3 70.0 109.47 -C CH2E CH1E 70.0 109.47 -C CH2E CH2E 70.0 109.47 -C CH2E CH3E 70.0 106.5 -C CH2E CT 70.0 109.47 -C CH2E NP 58.0 112.8 -C CH2E NT 70.0 111.6 -C CH2E NX 70.0 111.6 -C CH2E OE 80.0 109.47 -C CH2E OS 80.0 109.47 -C CH2E OT 80.0 109.47 -C CH2E XBR 103.0 109.47 -C CH2E XCL 103.0 109.47 -C CH2E XF 60.0 109.47 -C CH2E XI 103.0 109.47 -C5R CH2E C5R 70.0 109.47 -C5R CH2E C6R 70.0 109.47 -C5R CH2E CT 70.0 113.0 -C5R CH2E NP 70.0 111.6 -C5R CH2E NT 70.0 111.6 -C5R CH2E NX 70.0 111.6 -C5R CH2E OE 80.0 109.47 -C5R CH2E OS 80.0 109.47 -C5R CH2E OT 80.0 109.47 -C5R CH2E XBR 103.0 109.47 -C5R CH2E XCL 103.0 109.47 -C5R CH2E XF 60.0 109.47 -C5R CH2E XI 103.0 109.47 -C6R CH2E C6R 70.0 109.47 -C6R CH2E CF1 70.0 109.47 -C6R CH2E CF2 70.0 109.47 -C6R CH2E CF3 70.0 109.47 -C6R CH2E CT 70.0 113.0 -C6R CH2E NP 70.0 111.6 -C6R CH2E NT 70.0 111.6 -C6R CH2E NX 70.0 111.6 -C6R CH2E OE 80.0 109.47 -C6R CH2E OS 80.0 109.47 -C6R CH2E OT 80.0 109.47 -C6R CH2E XBR 103.0 109.47 -C6R CH2E XCL 103.0 109.47 -C6R CH2E XF 60.0 109.47 -C6R CH2E XI 103.0 109.47 -CH1E CH2E C5R 70.0 109.47 -CH1E CH2E C6R 70.0 109.47 -CH1E CH2E CF1 45.0 109.47 -CH1E CH2E CF2 45.0 109.47 -CH1E CH2E CF3 45.0 109.47 -CH1E CH2E CH1E 45.0 112.5 -CH1E CH2E CH2E 45.0 112.5 -CH1E CH2E CH3E 45.0 112.5 -CH1E CH2E CT 71.0 112.4 -CH1E CH2E N6R 67.0 110.60 -CH1E CH2E NP 67.0 110.60 -CH1E CH2E NT 65.0 109.47 -CH1E CH2E NX 65.0 104.0 -CH1E CH2E OE 80.0 109.47 -CH1E CH2E OS 80.0 109.47 -CH1E CH2E OT 80.0 109.47 -CH1E CH2E PT 65.0 109.47 -CH1E CH2E SE 50.0 112.5 -CH1E CH2E SH1E 50.0 112.5 -CH1E CH2E SO1 50.0 110.5 -CH1E CH2E ST 50.0 112.5 -CH1E CH2E XBR 96.0 109.47 -CH1E CH2E XCL 96.0 109.47 -CH1E CH2E XF 60.0 109.47 -CH1E CH2E XI 96.0 109.47 -CH2E CH2E C5R 70.0 109.47 -CH2E CH2E C6R 70.0 109.47 -CH2E CH2E CF1 65.0 109.47 -CH2E CH2E CF2 65.0 109.47 -CH2E CH2E CF3 65.0 109.47 -CH2E CH2E CH2E 50.0 112.5 -CH2E CH2E CH3E 50.0 112.5 -CH2E CH2E CT 50.0 111.5 -CH2E CH2E CUA1 70.0 109.47 -CH2E CH2E CUA2 70.0 109.47 -CH2E CH2E CUA3 70.0 109.47 -CH2E CH2E NP 76.0 111.0 -CH2E CH2E NT 65.0 109.47 -CH2E CH2E NX 76.0 111.0 -CH2E CH2E OE 80.0 109.47 -CH2E CH2E OS 80.0 109.47 -CH2E CH2E OT 80.0 109.47 -CH2E CH2E PT 65.0 109.47 -CH2E CH2E SE 50.0 112.5 -CH2E CH2E SH1E 50.0 112.5 -CH2E CH2E SO1 50.0 110.5 -CH2E CH2E ST 50.0 112.5 -CH2E CH2E XBR 96.0 109.47 -CH2E CH2E XCL 96.0 109.47 -CH2E CH2E XF 60.0 109.47 -CH2E CH2E XI 96.0 109.47 -CH3E CH2E C5R 70.0 109.47 -CH3E CH2E C6R 70.0 109.47 -CH3E CH2E CF1 65.0 109.47 -CH3E CH2E CF2 65.0 109.47 -CH3E CH2E CF3 65.0 109.47 -CH3E CH2E CH3E 50.0 112.5 -CH3E CH2E CT 50.0 112.5 -CH3E CH2E NP 71.0 110.60 -CH3E CH2E NT 65.0 109.47 -CH3E CH2E NX 65.0 109.47 -CH3E CH2E OE 80.0 109.47 -CH3E CH2E OS 80.0 109.47 -CH3E CH2E OT 80.0 109.47 -CH3E CH2E PT 65.0 109.47 -CH3E CH2E SH1E 50.0 112.5 -CH3E CH2E SO1 50.0 110.5 -CH3E CH2E ST 50.0 112.5 -CH3E CH2E XBR 96.0 109.47 -CH3E CH2E XCL 96.0 109.47 -CH3E CH2E XF 60.0 109.47 -CH3E CH2E XI 96.0 109.47 -CT CH2E CT 74.0 112.40 -CT CH2E NP 67.0 110.60 -CT CH2E NT 65.0 109.47 -CT CH2E NX 65.0 109.47 -CT CH2E OE 80.0 109.47 -CT CH2E OS 80.0 109.47 -CT CH2E OT 80.0 109.47 -CT CH2E SH1E 50.0 112.5 -CT CH2E ST 50.0 112.5 -CT CH2E XBR 96.0 109.47 -CT CH2E XCL 96.0 109.47 -CT CH2E XF 60.0 109.47 -CT CH2E XI 96.0 109.47 -NT CH2E NT 65.0 109.47 -NT CH2E SE 65.0 109.47 -OE CH2E OE 80.0 109.47 -OE CH2E OT 80.0 109.47 -SO2 CH2E CUA1 50.0 112.0 -SO2 CH2E SO2 50.0 112.0 -XBR CH2E XBR 100.0 109.47 -XBR CH2E XCL 100.0 109.47 -XBR CH2E XF 100.0 109.47 -XCL CH2E XCL 100.0 109.47 -XCL CH2E XF 100.0 109.47 -XF CH2E XF 110.0 109.47 -O CM O 20.0 180.0 -MCO CM OM 25.0 180.0 -MCR CM OM 25.0 180.0 -FE CM OM 5.0 180.0 -MW CM OM 25.0 180.0 -CT CP3 NX 65.0 112.3 -CPH1 CPH1 CT 45.8 130.0 -CPH1 CPH1 HA 25.0 130.0 -CPH1 CPH1 NR1 130.0 106.0 -CPH1 CPH1 NR2 130.0 110.0 -CPH1 CPH1 NR3 145.0 108.0 -HA CPH1 NR1 25.0 124.0 -HA CPH1 NR2 25.0 120.0 -HA CPH1 NR3 22.0 122.0 -HA CPH2 NR1 25.0 122.5 -HA CPH2 NR2 25.0 125.0 -HA CPH2 NR3 32.0 126.0 -NR1 CPH2 NR2 130.0 112.5 -NR3 CPH2 NR3 145.0 108.0 -C6R CQ66 C6R 70.0 110.0 -C6R CQ66 C6RP 70.0 120.0 -C6R CQ66 C6RQ 70.0 120.0 -C6R CQ66 CQ66 70.0 125.0 -C6R CQ66 CR56 70.0 133.0 -C6R CQ66 CR66 70.0 125.0 -C6R CQ66 CS66 70.0 125.0 -C6R CQ66 N6R 70.0 120.0 -C6R CQ66 N6RP 70.0 120.0 -C6R CQ66 NR66 70.0 120.0 -C6R CQ66 O6R 70.0 120.0 -C6RE CQ66 C6R 70.0 120.0 -C6RE CQ66 C6RE 70.0 120.0 -C6RE CQ66 CQ66 70.0 120.0 -C6RE CQ66 CR66 70.0 120.0 -C6RE CQ66 N6R 70.0 120.0 -C6RE CQ66 N6RP 70.0 120.0 -C6RP CQ66 C6RP 70.0 120.0 -C6RP CQ66 CQ66 70.0 120.0 -CQ66 CQ66 CQ66 70.0 118.0 -CQ66 CQ66 CR56 65.0 120.0 -CQ66 CQ66 CS66 70.0 118.0 -CR66 CQ66 CQ66 70.0 114.0 -CR66 CQ66 CR66 70.0 110.0 -CR66 CQ66 CS66 70.0 110.0 -N6R CQ66 N6R 70.0 120.0 -N6R CQ66 NR66 70.0 120.0 -N6R CQ66 S6R 70.0 120.0 -OE CQ66 S6R 70.0 120.0 -OS CQ66 S6R 70.0 120.0 -S6R CQ66 S6R 70.0 120.0 -C5R CR55 C5R 70.0 144.0 -C5R CR55 CR55 70.0 108.0 -C5R CR55 N5R 70.0 144.0 -C5R CR55 NR55 70.0 107.0 -C5R CR55 O5R 70.0 144.0 -C5R CR55 S5R 70.0 144.0 -C5RE CR55 C5R 70.0 144.0 -C5RE CR55 C5RE 70.0 144.0 -C5RE CR55 CR55 70.0 108.0 -C5RE CR55 N5R 70.0 144.0 -C5RE CR55 O5R 70.0 144.0 -C5RE CR55 S5R 70.0 144.0 -C5RP CR55 C5R 70.0 144.0 -C5RP CR55 C5RP 70.0 144.0 -C5RP CR55 C5RQ 70.0 144.0 -C5RP CR55 CR55 70.0 108.0 -C5RP CR55 N5R 70.0 144.0 -C5RP CR55 NR55 70.0 107.0 -C5RP CR55 O5R 70.0 144.0 -C5RP CR55 S5R 70.0 144.0 -CR55 CR55 CR56 65.0 107.0 -CR55 CR55 N5R 70.0 108.0 -CR55 CR55 O5R 70.0 108.0 -CR55 CR55 S5R 70.0 108.0 -CR56 CR55 CR56 65.0 136.5 -N5R CR55 N5R 70.0 144.0 -N5R CR55 NR55 70.0 107.0 -N5R CR55 O5R 70.0 144.0 -N5R CR55 S5R 70.0 144.0 -O5R CR55 O5R 70.0 144.0 -O5R CR55 S5R 70.0 144.0 -S5R CR55 S5R 70.0 144.0 -C CR56 CR56 116.0 119.2 -C CR56 N5R 116.0 130.0 -C CR56 NR56 116.0 119.2 -C5R CR56 C6R 70.0 133.0 -C5R CR56 C6RE 70.0 133.0 -C5R CR56 C6RP 70.0 133.0 -C5R CR56 C6RQ 70.0 133.0 -C5R CR56 CR56 70.0 107.0 -C5R CR56 CR66 70.0 133.0 -C5R CR56 N5R 70.0 107.0 -C5R CR56 N6R 70.0 133.0 -C5R CR56 NR56 70.0 107.0 -C5R CR56 OE 70.0 133.0 -C5R CR56 OS 70.0 133.0 -C5R CR56 S6R 70.0 133.0 -C5RE CR56 C6R 70.0 133.0 -C5RE CR56 C6RE 70.0 133.0 -C5RE CR56 C6RP 70.0 133.0 -C5RE CR56 C6RQ 70.0 133.0 -C5RE CR56 CR56 70.0 107.0 -C5RE CR56 OE 70.0 133.0 -C5RE CR56 OS 70.0 133.0 -C5RE CR56 S6R 70.0 133.0 -C5RP CR56 C6R 70.0 133.0 -C5RP CR56 C6RP 70.0 133.0 -C5RP CR56 C6RQ 70.0 133.0 -C5RP CR56 CR56 70.0 107.0 -C6R CR56 N5R 70.0 133.0 -C6R CR56 N6R 70.0 130.0 -C6R CR56 NR56 70.0 120.0 -C6R CR56 O5R 70.0 133.0 -C6R CR56 S5R 70.0 133.0 -C6RE CR56 CR56 70.0 120.0 -C6RE CR56 N5R 70.0 133.0 -C6RE CR56 NR56 70.0 120.0 -C6RE CR56 O5R 70.0 133.0 -C6RE CR56 S5R 70.0 133.0 -CQ66 CR56 CR56 65.0 120.0 -CR55 CR56 C6R 65.0 133.0 -CR55 CR56 CR55 65.0 133.0 -CR55 CR56 CR56 65.0 107.0 -CR55 CR56 CR66 65.0 133.0 -CR56 CR56 C6R 70.0 122.5 -CR56 CR56 C6RP 70.0 120.0 -CR56 CR56 C6RQ 70.0 120.0 -CR56 CR56 CR56 70.0 105.0 -CR56 CR56 N5R 70.0 104.0 -CR56 CR56 N6R 70.0 127.5 -CR56 CR56 NP 70.0 120.0 -CR56 CR56 O5R 70.0 108.0 -CR56 CR56 OE 70.0 120.0 -CR56 CR56 OS 70.0 120.0 -CR56 CR56 S5R 95.0 114.0 -CR56 CR56 S6R 70.0 120.0 -CR66 CR56 CR56 70.0 120.0 -N5R CR56 N6R 70.0 127.0 -N5R CR56 NP 70.0 133.0 -N5R CR56 NR56 70.0 107.0 -N5R CR56 OE 70.0 133.0 -N5R CR56 OS 70.0 133.0 -N5R CR56 S6R 70.0 133.0 -N6R CR56 N6R 70.0 130.0 -N6R CR56 NR56 70.0 120.0 -N6R CR56 NR66 70.0 120.0 -O5R CR56 OE 70.0 133.0 -O5R CR56 OS 70.0 133.0 -O5R CR56 S6R 70.0 133.0 -S5R CR56 OE 70.0 133.0 -S5R CR56 OS 70.0 133.0 -S5R CR56 S6R 70.0 133.0 -C CR66 C6R 70.0 120.0 -C CR66 CR66 70.0 120.0 -C CR66 N6R 70.0 120.0 -C6R CR66 C6R 70.0 113.0 -C6R CR66 C6RP 70.0 120.0 -C6R CR66 C6RQ 70.0 120.0 -C6R CR66 CQ66 70.0 125.0 -C6R CR66 CR56 70.0 116.0 -C6R CR66 CR66 70.0 124.0 -C6R CR66 CS66 70.0 125.0 -C6R CR66 N6R 70.0 120.0 -C6R CR66 N6RP 70.0 120.0 -C6R CR66 NR66 70.0 120.0 -C6R CR66 O6R 70.0 120.0 -C6R CR66 OC 70.0 120.0 -C6R CR66 OE 70.0 120.0 -C6R CR66 OS 70.0 120.0 -C6R CR66 P6R 70.0 120.0 -C6R CR66 S6R 70.0 120.0 -C6R CR66 SO1 70.0 120.0 -C6RE CR66 C6R 70.0 120.0 -C6RE CR66 C6RE 70.0 120.0 -C6RE CR66 CR66 65.0 120.0 -C6RE CR66 N6R 70.0 120.0 -C6RE CR66 N6RP 70.0 120.0 -C6RE CR66 NR66 70.0 120.0 -C6RE CR66 OE 70.0 120.0 -C6RE CR66 OS 70.0 120.0 -C6RE CR66 S6R 70.0 120.0 -C6RP CR66 C6RP 70.0 120.0 -C6RP CR66 CR66 70.0 120.0 -CQ66 CR66 CQ66 70.0 110.0 -CQ66 CR66 CS66 70.0 110.0 -CR56 CR66 CR56 70.0 120.0 -CR66 CR66 CQ66 70.0 114.0 -CR66 CR66 CR56 70.0 120.0 -CR66 CR66 CR66 70.0 118.0 -CR66 CR66 CS66 70.0 114.0 -CR66 CR66 N6R 70.0 120.0 -CR66 CR66 N6RP 70.0 120.0 -CR66 CR66 NP 70.0 120.0 -CR66 CR66 NR66 70.0 120.0 -CR66 CR66 O6R 70.0 120.0 -CR66 CR66 OC 70.0 120.0 -CR66 CR66 OE 70.0 120.0 -CR66 CR66 OS 70.0 120.0 -CR66 CR66 SO1 70.0 115.0 -CS66 CR66 CS66 70.0 110.0 -N6R CR66 N6R 70.0 120.0 -N6R CR66 NP 70.0 120.0 -N6R CR66 NR66 70.0 120.0 -N6R CR66 OE 70.0 120.0 -N6R CR66 OS 70.0 120.0 -N6R CR66 S6R 70.0 120.0 -OE CR66 OE 70.0 120.0 -OE CR66 OS 70.0 120.0 -OE CR66 S6R 70.0 120.0 -OS CR66 OS 70.0 120.0 -OS CR66 S6R 70.0 120.0 -S6R CR66 S6R 70.0 120.0 -C6R CS66 C6R 70.0 110.0 -C6R CS66 C6RP 70.0 120.0 -C6R CS66 C6RQ 70.0 120.0 -C6R CS66 CQ66 70.0 120.0 -C6R CS66 CR66 70.0 120.0 -C6R CS66 CS66 70.0 125.0 -C6R CS66 N6R 70.0 120.0 -C6R CS66 N6RP 70.0 120.0 -C6R CS66 NR66 70.0 120.0 -C6RP CS66 C6RP 70.0 120.0 -C6RP CS66 CS66 70.0 120.0 -CQ66 CS66 CS66 70.0 118.0 -CR66 CS66 CQ66 70.0 110.0 -CR66 CS66 CS66 70.0 114.0 -B CT CT 45.0 109.47 -B CT HA 35.0 109.47 -B CT OT 45.0 109.47 -C CT C 70.0 113.0 -C CT C5R 70.0 109.47 -C CT C6R 70.0 109.47 -C CT CF1 70.0 109.47 -C CT CF2 70.0 109.47 -C CT CF3 70.0 109.47 -C CT CH1E 70.0 109.47 -C CT CH2E 70.0 109.47 -C CT CH3E 70.0 106.5 -C CT CT 52.0 109.90 -C CT CUA1 60.0 109.47 -C CT CUA2 60.0 109.47 -C CT CUA3 60.0 109.47 -C CT N 70.0 111.6 -C CT NP 75.0 109.47 -C CT NT 70.0 111.6 -C CT NX 48.0 111.8 -C CT OE 80.0 109.47 -C CT OS 80.0 109.47 -C CT OT 80.0 109.47 -C CT SE 53.0 109.47 -C CT XBR 50.0 109.47 -C CT XCL 86.3 112.0 -C CT XF 60.0 109.47 -C CT XI 50.0 109.47 -C5R CT C5R 70.0 109.47 -C5R CT C6R 70.0 109.47 -C5R CT CF1 70.0 109.47 -C5R CT CF2 70.0 109.47 -C5R CT CF3 70.0 109.47 -C5R CT CT 70.0 109.47 -C5R CT CUY1 70.0 109.47 -C5R CT CUY2 70.0 109.47 -C5R CT NP 70.0 111.6 -C5R CT NT 70.0 111.6 -C5R CT NX 70.0 111.6 -C5R CT OE 80.0 109.47 -C5R CT OS 80.0 109.47 -C5R CT OT 80.0 109.47 -C5R CT SO2 53.0 110.5 -C5R CT XBR 50.0 109.47 -C5R CT XCL 103.0 109.47 -C5R CT XF 60.0 109.47 -C5R CT XI 50.0 109.47 -C6R CT C6R 70.0 109.47 -C6R CT CF1 70.0 109.47 -C6R CT CF2 70.0 109.47 -C6R CT CF3 70.0 109.47 -C6R CT CT 70.0 111.6 -C6R CT CUA1 70.0 113.0 -C6R CT CUA2 70.0 113.0 -C6R CT CUA3 70.0 113.0 -C6R CT CUY1 70.0 113.0 -C6R CT CUY2 70.0 113.0 -C6R CT N5R 70.0 111.6 -C6R CT NP 70.0 111.6 -C6R CT NT 70.0 111.6 -C6R CT NX 70.0 111.6 -C6R CT OE 80.0 109.47 -C6R CT OS 80.0 109.47 -C6R CT OT 80.0 109.47 -C6R CT SE 50.0 111.50 -C6R CT SO1 80.0 120.0 -C6R CT SO2 80.0 120.0 -C6R CT SO3 80.0 120.0 -C6R CT SO4 80.0 120.0 -C6R CT ST 50.0 109.47 -C6R CT XBR 50.0 109.47 -C6R CT XCL 103.0 109.47 -C6R CT XF 60.0 109.47 -C6R CT XI 50.0 109.47 -CF1 CT CF1 58.0 112.7 -CF1 CT CF2 58.0 112.7 -CF1 CT CF3 58.0 112.7 -CF1 CT CP3 26.0 109.47 -CF1 CT CT 58.35 112.70 -CF1 CT CT3 58.35 112.7 -CF1 CT CT4 58.35 112.7 -CF1 CT CUA1 45.0 112.90 -CF1 CT CUA2 45.0 112.90 -CF1 CT CUA3 45.0 112.90 -CF1 CT CUY1 90.0 110.50 -CF1 CT CUY2 90.0 110.50 -CF1 CT MSE 50.0 109.47 -CF1 CT MSI 45.0 109.47 -CF1 CT N 65.0 109.47 -CF1 CT N5R 46.5 111.0 -CF1 CT N6R 46.5 111.0 -CF1 CT NO2 47.0 108.60 -CF1 CT NP 65.0 109.47 -CF1 CT NT 65.0 110.50 -CF1 CT NX 65.0 112.3 -CF1 CT OC 55.0 109.47 -CF1 CT OE 47.0 109.47 -CF1 CT OS 80.0 109.47 -CF1 CT OT 57.0 103.00 -CF1 CT PO3 50.0 109.47 -CF1 CT PT 50.0 109.47 -CF1 CT PUA1 50.0 109.47 -CF1 CT SE 53.0 109.47 -CF1 CT SO1 50.0 110.5 -CF1 CT SO2 53.0 110.5 -CF1 CT SO3 50.0 110.5 -CF1 CT ST 40.0 113.8 -CF1 CT XBR 44.0 108.47 -CF1 CT XCL 45.0 109.47 -CF1 CT XF 45.0 109.47 -CF1 CT XI 45.0 109.47 -CF2 CT CF2 58.0 112.7 -CF2 CT CF3 58.0 112.7 -CF2 CT CP3 26.0 109.47 -CF2 CT CT 58.35 112.70 -CF2 CT CT3 58.35 112.7 -CF2 CT CT4 58.35 112.7 -CF2 CT CUA1 45.0 112.90 -CF2 CT CUA2 45.0 112.90 -CF2 CT CUA3 45.0 112.90 -CF2 CT CUY1 90.0 110.50 -CF2 CT CUY2 90.0 110.50 -CF2 CT MSE 50.0 109.47 -CF2 CT MSI 45.0 109.47 -CF2 CT N 65.0 109.47 -CF2 CT N5R 46.5 111.0 -CF2 CT N6R 46.5 111.0 -CF2 CT NO2 47.0 108.60 -CF2 CT NP 65.0 109.47 -CF2 CT NT 65.0 110.50 -CF2 CT NX 65.0 112.3 -CF2 CT OC 55.0 109.47 -CF2 CT OE 47.0 109.47 -CF2 CT OS 80.0 109.47 -CF2 CT OT 57.0 103.00 -CF2 CT PO3 50.0 109.47 -CF2 CT PT 50.0 109.47 -CF2 CT PUA1 50.0 109.47 -CF2 CT SE 53.0 109.47 -CF2 CT SO1 50.0 110.5 -CF2 CT SO2 53.0 110.5 -CF2 CT SO3 50.0 110.5 -CF2 CT ST 40.0 113.8 -CF2 CT XBR 44.0 108.47 -CF2 CT XCL 45.0 109.47 -CF2 CT XF 45.0 109.47 -CF2 CT XI 45.0 109.47 -CF3 CT CF3 58.0 111.0 -CF3 CT CP3 26.0 109.47 -CF3 CT CT 58.35 112.70 -CF3 CT CT3 58.35 112.7 -CF3 CT CT4 58.35 112.7 -CF3 CT CUA1 45.0 112.90 -CF3 CT CUA2 45.0 112.90 -CF3 CT CUA3 45.0 112.90 -CF3 CT CUY1 90.0 110.50 -CF3 CT CUY2 90.0 110.50 -CF3 CT MSE 50.0 109.47 -CF3 CT MSI 45.0 109.47 -CF3 CT N 65.0 109.47 -CF3 CT N5R 46.5 111.0 -CF3 CT N6R 46.5 111.0 -CF3 CT NO2 47.0 108.60 -CF3 CT NP 65.0 109.47 -CF3 CT NT 65.0 110.50 -CF3 CT NX 65.0 112.3 -CF3 CT OC 55.0 109.47 -CF3 CT OE 47.0 109.47 -CF3 CT OS 80.0 109.47 -CF3 CT OT 57.0 103.00 -CF3 CT PO3 50.0 109.47 -CF3 CT PT 50.0 109.47 -CF3 CT PUA1 50.0 109.47 -CF3 CT SE 53.0 109.47 -CF3 CT SO1 50.0 110.5 -CF3 CT SO2 53.0 110.5 -CF3 CT SO3 50.0 110.5 -CF3 CT ST 40.0 113.8 -CF3 CT XBR 44.0 108.47 -CF3 CT XCL 45.0 109.47 -CF3 CT XF 45.0 109.47 -CF3 CT XI 45.0 109.47 -CH1E CT C5R 70.0 109.47 -CH1E CT C6R 70.0 109.47 -CH1E CT CH1E 45.0 112.5 -CH1E CT CH2E 45.0 112.5 -CH1E CT CH3E 45.0 112.5 -CH1E CT CT 71.0 112.5 -CH1E CT NP 71.0 110.60 -CH1E CT NT 65.0 109.47 -CH1E CT NX 65.0 104.0 -CH1E CT OE 80.0 109.47 -CH1E CT OS 80.0 109.47 -CH1E CT OT 80.0 109.47 -CH1E CT SE 80.0 109.47 -CH1E CT SH1E 80.0 109.47 -CH1E CT XBR 96.0 109.47 -CH1E CT XCL 96.0 109.47 -CH1E CT XF 60.0 109.47 -CH1E CT XI 96.0 109.47 -CH2E CT C5R 70.0 109.47 -CH2E CT C6R 70.0 109.47 -CH2E CT CH2E 50.0 112.5 -CH2E CT CH3E 50.0 112.5 -CH2E CT CT 50.0 111.5 -CH2E CT NP 71.0 110.60 -CH2E CT NT 65.0 109.47 -CH2E CT NX 65.0 104.0 -CH2E CT OE 80.0 109.47 -CH2E CT OS 80.0 109.47 -CH2E CT OT 80.0 109.47 -CH2E CT SE 80.0 109.47 -CH2E CT SH1E 80.0 109.47 -CH2E CT XBR 96.0 109.47 -CH2E CT XCL 98.0 109.47 -CH2E CT XF 60.0 109.47 -CH2E CT XI 96.0 109.47 -CH3E CT C5R 70.0 109.47 -CH3E CT C6R 70.0 109.47 -CH3E CT CH3E 50.0 112.5 -CH3E CT CT 74.0 112.40 -CH3E CT NP 71.0 110.60 -CH3E CT NT 65.0 109.47 -CH3E CT NX 65.0 109.47 -CH3E CT OE 80.0 109.47 -CH3E CT OS 80.0 109.47 -CH3E CT OT 80.0 109.47 -CH3E CT SE 80.0 109.47 -CH3E CT SH1E 80.0 109.47 -CH3E CT XBR 96.0 109.47 -CH3E CT XCL 96.0 109.47 -CH3E CT XF 60.0 109.47 -CH3E CT XI 96.0 109.47 -CPH1 CT CT 58.35 113.0 -CPH1 CT HA 33.43 109.5 -CT CT CP3 26.0 109.47 -CT CT CT 58.35 112.70 -CT CT CT3 58.35 112.7 -CT CT CT4 58.35 112.7 -CT CT CUA1 45.0 112.90 -CT CT CUA2 45.0 112.90 -CT CT CUA3 45.0 112.90 -CT CT CUY1 90.0 110.50 -CT CT CUY2 90.0 110.50 -CT CT MAS 45.0 109.47 -CT CT MBE 45.0 109.47 -CT CT MMG 45.0 109.47 -CT CT MSE 45.0 109.47 -CT CT MSI 45.0 109.47 -CT CT N 65.0 109.47 -CT CT N5R 46.5 111.0 -CT CT N6R 46.5 111.0 -CT CT NC 65.0 109.47 -CT CT NO2 47.0 108.60 -CT CT NP 65.0 109.47 -CT CT NT 45.0 112.5 -CT CT NX 65.0 112.3 -CT CT OC 55.0 109.47 -CT CT OE 57.0 110.0 -CT CT OS 80.0 109.47 -CT CT OT 45.0 110.50 -CT CT PO3 50.0 109.47 -CT CT PT 50.0 109.47 -CT CT PUA1 50.0 109.47 -CT CT SE 58.0 111.5 -CT CT SO1 50.0 110.5 -CT CT SO2 53.0 110.5 -CT CT SO3 50.0 110.5 -CT CT ST 40.0 113.8 -CT CT XBR 44.0 109.47 -CT CT XCL 45.0 109.47 -CT CT XF 47.0 109.47 -CT CT XI 45.0 109.47 -CT3 CT NT 45.0 109.47 -CT3 CT OE 45.0 109.47 -CUA1 CT CUA1 60.0 112.70 -CUA1 CT CUA2 60.0 112.70 -CUA1 CT CUA3 60.0 112.70 -CUA1 CT CUY1 50.0 108.0 -CUA1 CT N6R 65.0 111.6 -CUA1 CT NP 70.0 111.6 -CUA1 CT NT 65.0 109.47 -CUA1 CT NX 70.0 111.6 -CUA1 CT OE 60.0 109.47 -CUA1 CT OS 50.0 109.47 -CUA1 CT OT 60.0 109.47 -CUA1 CT SE 53.0 109.47 -CUA1 CT SO1 80.0 120.0 -CUA1 CT SO2 80.0 120.0 -CUA1 CT SO3 80.0 120.0 -CUA1 CT SO4 80.0 120.0 -CUA1 CT ST 50.0 109.47 -CUA1 CT XBR 103.0 109.47 -CUA1 CT XCL 103.0 109.47 -CUA1 CT XF 100.0 111.0 -CUA1 CT XI 103.0 109.47 -CUA2 CT CUA2 60.0 112.70 -CUA2 CT CUA3 60.0 112.7 -CUA2 CT CUY1 50.0 108.0 -CUA2 CT NP 70.0 111.6 -CUA2 CT NT 65.0 109.47 -CUA2 CT NX 70.0 111.6 -CUA2 CT OE 50.0 109.47 -CUA2 CT OS 50.0 109.47 -CUA2 CT OT 60.0 109.47 -CUA2 CT SE 53.0 109.47 -CUA2 CT SO1 80.0 120.0 -CUA2 CT SO2 80.0 120.0 -CUA2 CT SO3 80.0 120.0 -CUA2 CT SO4 80.0 120.0 -CUA2 CT ST 50.0 109.47 -CUA2 CT XBR 103.0 109.47 -CUA2 CT XCL 103.0 109.47 -CUA2 CT XF 100.0 111.00 -CUA2 CT XI 103.0 109.47 -CUA3 CT CUA3 60.0 112.7 -CUY1 CT CUY1 50.0 109.47 -CUY1 CT CUY2 50.0 109.47 -CUY1 CT NT 50.0 109.47 -CUY1 CT OS 80.0 109.47 -CUY1 CT OT 80.0 109.47 -CUY2 CT CUY2 50.0 109.47 -CUY2 CT NT 50.0 109.47 -CUY2 CT OS 80.0 109.47 -HA CT C 42.0 109.00 -HA CT C5R 40.0 109.47 -HA CT C6R 40.0 109.47 -HA CT CF1 37.5 109.47 -HA CT CF2 37.5 109.47 -HA CT CF3 37.5 109.47 -HA CT CH2E 37.5 109.47 -HA CT CT 37.5 110.70 -HA CT CT3 37.5 110.70 -HA CT CT4 37.5 110.70 -HA CT CUA1 50.0 110.00 -HA CT CUA2 50.0 110.00 -HA CT CUA3 50.0 110.00 -HA CT CUY1 40.0 109.47 -HA CT CUY2 40.0 109.47 -HA CT HA 33.0 107.80 -HA CT MAL 50.0 106.00 -HA CT MGE 50.0 109.47 -HA CT MMG 50.0 109.47 -HA CT MSE 35.0 109.47 -HA CT MSI 50.0 109.47 -HA CT MSIU 50.0 109.47 -HA CT N 50.0 109.47 -HA CT N3 50.0 109.47 -HA CT N5R 37.5 109.47 -HA CT N6R 50.0 109.47 -HA CT NC 37.5 109.47 -HA CT NO2 57.0 109.47 -HA CT NP 46.5 106.20 -HA CT NT 55.0 107.80 -HA CT NX 50.0 109.47 -HA CT OE 55.5 109.47 -HA CT OS 59.0 108.25 -HA CT OT 55.0 108.00 -HA CT PO3 44.0 109.47 -HA CT PT 35.0 109.47 -HA CT PUA1 35.0 109.47 -HA CT SE 43.0 109.47 -HA CT SO1 37.0 109.47 -HA CT SO2 40.0 109.47 -HA CT SO3 40.0 109.47 -HA CT ST 50.0 109.47 -HA CT XBR 35.0 107.47 -HA CT XCL 46.0 107.47 -HA CT XF 48.0 109.47 -HA CT XI 35.0 107.47 -MBE CT HA 35.0 109.47 -MSI CT MSI 56.0 115.5 -N CT N 60.0 109.47 -N CT NO2 60.0 109.47 -NO2 CT NO2 60.0 103.00 -NO2 CT NP 60.0 109.47 -NO2 CT XCL 50.0 109.5 -NP CT NP 60.0 109.47 -NP CT NT 60.0 109.47 -NP CT OT 60.0 109.47 -NP CT ST 60.0 109.47 -NT CT N 60.0 109.47 -NT CT NT 60.0 109.47 -NT CT OC 60.0 109.47 -NT CT OT 60.0 109.47 -NT CT SE 60.0 109.47 -NT CT XCL 60.0 109.47 -OE CT N5R 96.5 109.0 -OE CT N6R 46.5 107.0 -OE CT NP 80.0 109.47 -OE CT NT 46.5 107.0 -OE CT NX 80.0 109.47 -OE CT OC 80.0 109.47 -OE CT OE 60.0 109.00 -OE CT OS 60.0 109.47 -OE CT OT 48.0 107.8 -OE CT XBR 50.0 109.47 -OE CT XCL 96.0 109.47 -OE CT XF 115.0 109.47 -OE CT XI 50.0 109.47 -OS CT NT 46.5 107.0 -OS CT OS 60.0 109.47 -OT CT NX 80.0 109.47 -OT CT OT 50.0 109.47 -OT CT PO3 45.0 109.47 -PO3 CT PO3 50.0 109.47 -SE CT NP 53.0 109.47 -SE CT NX 75.0 109.47 -SE CT SE 75.0 110.5 -SE CT SO2 75.0 110.5 -SO2 CT SO2 50.0 112.0 -XBR CT XBR 90.0 109.47 -XBR CT XCL 100.0 109.47 -XBR CT XF 100.0 109.47 -XBR CT XI 100.0 109.47 -XCL CT XCL 100.0 109.47 -XCL CT XF 100.0 109.47 -XCL CT XI 100.0 109.47 -XF CT PT 50.0 109.47 -XF CT XF 110.0 109.47 -XF CT XI 110.0 109.47 -XI CT XI 100.0 109.47 -C CT3 CT3 50.0 118.0 -C3 CT3 CT3 45.0 60.0 -C6R CT3 CT3 50.0 115.00 -C6R CT3 HA 35.0 115.0 -C6R CT3 OE 50.0 115.0 -CF1 CT3 CT 45.0 115.0 -CF1 CT3 NT 45.0 115.0 -CF1 CT3 OE 45.0 115.0 -CF2 CT3 CT 45.0 115.0 -CF2 CT3 NT 45.0 115.0 -CF2 CT3 OE 45.0 115.0 -CF3 CT3 CT 45.0 115.0 -CF3 CT3 NT 45.0 115.0 -CF3 CT3 OE 45.0 115.0 -CT CT3 CT 45.0 115.0 -CT CT3 NT 45.0 115.0 -CT CT3 OE 45.0 115.0 -CT3 CT3 CT 45.0 115.0 -CT3 CT3 CT3 45.0 60.0 -CT3 CT3 CUA1 45.0 60.0 -CT3 CT3 N3 45.0 60.0 -CT3 CT3 NT 45.0 115.0 -CT3 CT3 OE 45.0 60.0 -CT3 CT3 XCL 45.0 115.0 -CT3 CT3 XF 45.0 115.0 -CUA3 CT3 CUA3 70.0 40.0 -HA CT3 C 50.0 114.4 -HA CT3 C3 31.0 118.0 -HA CT3 CT 31.0 115.0 -HA CT3 CT3 31.0 115.0 -HA CT3 CUA1 31.0 115.0 -HA CT3 CUA3 31.0 118.0 -HA CT3 HA 31.0 115.0 -HA CT3 N3 31.0 118.0 -HA CT3 NT 31.0 118.0 -HA CT3 OE 31.0 115.0 -HA CT3 XCL 46.0 115.5 -HA CT3 XF 48.0 115.5 -N3 CT3 N3 50.0 60.0 -C CT4 C4 65.0 115.0 -C CT4 CT4 65.0 115.0 -C CT4 NX 65.0 115.0 -C4 CT4 CT4 55.0 89.0 -C4 CT4 CUA1 45.0 90.0 -C4 CT4 NP 45.0 115.0 -C4 CT4 NT 45.0 115.0 -C4 CT4 OE 45.0 115.0 -CF1 CT4 CT4 50.0 115.0 -CF1 CT4 NX 45.0 115.0 -CF1 CT4 OS 45.0 115.0 -CF2 CT4 CT4 50.0 115.0 -CF2 CT4 NX 45.0 115.0 -CF2 CT4 OS 45.0 115.0 -CF3 CT4 CT4 50.0 115.0 -CF3 CT4 NX 45.0 115.0 -CF3 CT4 OS 45.0 115.0 -CT CT4 CT4 50.0 115.0 -CT CT4 NX 45.0 115.0 -C CT4 OE 50.0 115.0 -CT CT4 OS 45.0 115.0 -CT4 CT4 CT4 95.0 90.0 -CT4 CT4 CUA1 45.0 115.0 -CT4 CT4 CUA2 45.0 115.0 -CT4 CT4 NP 45.0 115.0 -CT4 CT4 NT 45.0 115.0 -CT4 CT4 NX 45.0 97.0 -CT4 CT4 OE 45.0 115.0 -CT4 CT4 OS 45.0 115.0 -CT4 CT4 SE 45.0 116.5 -CT4 CT4 ST 45.0 115.0 -CT4 CT4 XCL 45.0 115.0 -CT4 CT4 XF 45.0 115.0 -CUA3 CT4 CUA3 70.0 90.0 -HA CT4 C 31.0 115.0 -HA CT4 C4 31.0 115.0 -HA CT4 CT 31.0 115.0 -HA CT4 CT4 36.0 115.0 -HA CT4 CUA1 31.0 115.0 -HA CT4 CUA2 31.0 115.0 -HA CT4 HA 32.0 106.0 -HA CT4 NP 31.0 115.0 -HA CT4 NT 31.0 115.0 -HA CT4 NX 31.0 115.0 -HA CT4 OE 31.0 115.0 -HA CT4 SE 31.0 115.0 -HA CT4 ST 31.0 115.0 -HA CT4 XCL 46.0 115.0 -HA CT4 XF 48.0 115.0 -NP CT4 OE 60.0 115.0 -NX CT4 OE 45.0 115.0 -NX CT4 SE 45.0 109.0 -NX CT4 ST 45.0 109.0 -C CUA1 C 60.0 120.0 -C CUA1 C5R 60.0 120.0 -C CUA1 C6R 60.0 120.0 -C CUA1 CF1 60.0 120.0 -C CUA1 CF2 60.0 120.0 -C CUA1 CF3 60.0 120.0 -C CUA1 CT 60.0 120.0 -C CUA1 CUA1 72.0 119.5 -C CUA1 CUA2 72.0 121.0 -C CUA1 CUA3 72.0 121.0 -C CUA1 CUY1 35.0 120.0 -C CUA1 HA 28.0 118.0 -C CUA1 N 50.0 118.0 -C CUA1 N3 50.0 118.0 -C CUA1 NP 50.0 118.0 -C CUA1 NT 50.0 118.0 -C CUA1 NX 50.0 118.0 -C CUA1 OE 50.0 120.0 -C CUA1 OT 60.0 120.0 -C CUA1 SE 50.0 120.0 -C CUA1 XBR 50.0 116.0 -C CUA1 XCL 60.0 120.0 -C CUA1 XF 60.0 120.0 -C CUA1 XI 60.0 120.0 -C3 CUA1 CUA1 55.0 60.0 -C4 CUA1 CUA1 55.0 90.0 -C5R CUA1 C5R 60.0 122.0 -C5R CUA1 C6R 60.0 122.0 -C5R CUA1 CT 60.0 120.0 -C5R CUA1 CUA1 60.0 122.0 -C5R CUA1 CUA2 60.0 120.0 -C5R CUA1 CUA3 60.0 120.0 -C5R CUA1 HA 40.0 117.0 -C5R CUA1 NP 60.0 120.0 -C5R CUA1 NT 60.0 120.0 -C5R CUA1 XBR 60.0 120.0 -C5R CUA1 XCL 60.0 120.0 -C5R CUA1 XF 60.0 120.0 -C5R CUA1 XI 60.0 120.0 -C6R CUA1 C6R 60.0 116.0 -C6R CUA1 CT 60.0 120.0 -C6R CUA1 CUA1 50.0 118.0 -C6R CUA1 CUA2 60.0 120.0 -C6R CUA1 CUA3 60.0 120.0 -C6R CUA1 HA 40.0 117.0 -C6R CUA1 N6R 60.0 120.0 -C6R CUA1 NP 60.0 120.0 -C6R CUA1 NT 60.0 120.0 -C6R CUA1 SE 50.0 120.0 -C6R CUA1 XBR 60.0 120.0 -C6R CUA1 XCL 60.0 120.0 -C6R CUA1 XF 60.0 120.0 -C6R CUA1 XI 60.0 120.0 -CF1 CUA1 CT 50.0 116.0 -CF1 CUA1 CT3 50.0 120.0 -CF1 CUA1 CT4 50.0 120.0 -CF1 CUA1 CUA1 40.0 122.0 -CF1 CUA1 CUA2 50.0 120.0 -CF1 CUA1 CUA3 50.0 120.0 -CF1 CUA1 HA 33.0 116.1 -CF1 CUA1 NP 50.0 122.0 -CF1 CUA1 NT 60.0 120.0 -CF1 CUA1 OE 60.0 115.0 -CF1 CUA1 OT 60.0 122.0 -CF1 CUA1 SE 50.0 122.0 -CF1 CUA1 XBR 60.0 112.0 -CF1 CUA1 XCL 60.0 112.0 -CF1 CUA1 XF 60.0 120.0 -CF1 CUA1 XI 60.0 120.0 -CF2 CUA1 CT 50.0 116.0 -CF2 CUA1 CT3 50.0 120.0 -CF2 CUA1 CT4 50.0 120.0 -CF2 CUA1 CUA1 40.0 122.0 -CF2 CUA1 CUA2 50.0 120.0 -CF2 CUA1 CUA3 50.0 120.0 -CF2 CUA1 HA 33.0 116.1 -CF2 CUA1 NP 50.0 122.0 -CF2 CUA1 NT 60.0 120.0 -CF2 CUA1 OE 60.0 115.0 -CF2 CUA1 OT 60.0 122.0 -CF2 CUA1 SE 50.0 122.0 -CF2 CUA1 XBR 60.0 112.0 -CF2 CUA1 XCL 60.0 112.0 -CF2 CUA1 XF 60.0 120.0 -CF2 CUA1 XI 60.0 120.0 -CF3 CUA1 CT 50.0 116.0 -CF3 CUA1 CT3 50.0 120.0 -CF3 CUA1 CT4 50.0 120.0 -CF3 CUA1 CUA1 40.0 122.0 -CF3 CUA1 CUA2 50.0 120.0 -CF3 CUA1 CUA3 50.0 120.0 -CF3 CUA1 HA 33.0 116.1 -CF3 CUA1 NP 50.0 122.0 -CF3 CUA1 NT 60.0 120.0 -CF3 CUA1 OE 60.0 115.0 -CF3 CUA1 OT 60.0 122.0 -CF3 CUA1 SE 50.0 122.0 -CF3 CUA1 XBR 60.0 112.0 -CF3 CUA1 XCL 60.0 112.0 -CF3 CUA1 XF 60.0 120.0 -CF3 CUA1 XI 60.0 120.0 -CH1E CUA1 CH2E 60.0 120.0 -CH1E CUA1 CUA1 60.0 122.0 -CH1E CUA1 CUA2 60.0 120.0 -CH1E CUA1 CUA3 60.0 120.0 -CH1E CUA1 HA 35.0 120.0 -CH2E CUA1 CH2E 60.0 120.0 -CH2E CUA1 CH3E 60.0 120.0 -CH2E CUA1 CUA1 60.0 122.0 -CH2E CUA1 CUA2 60.0 122.0 -CH2E CUA1 CUA3 60.0 122.0 -CH2E CUA1 HA 35.0 120.0 -CH3E CUA1 CUA1 60.0 122.0 -CH3E CUA1 CUA2 60.0 122.0 -CH3E CUA1 CUA3 60.0 122.0 -CH3E CUA1 HA 35.0 120.0 -CT CUA1 CT 50.0 114.2 -CT CUA1 CT3 50.0 120.0 -CT CUA1 CT4 50.0 120.0 -CT CUA1 CUA1 40.0 122.9 -CT CUA1 CUA2 50.0 114.4 -CT CUA1 CUA3 50.0 114.4 -CT CUA1 HA 33.0 115.2 -CT CUA1 MSE 50.0 120.0 -CT CUA1 MSIU 50.0 120.0 -CT CUA1 NP 50.0 122.0 -CT CUA1 NT 60.0 120.0 -CT CUA1 OE 60.0 115.0 -CT CUA1 OT 60.0 122.0 -CT CUA1 SE 50.0 122.0 -CT CUA1 XBR 60.0 112.0 -CT CUA1 XCL 60.0 112.0 -CT CUA1 XF 60.0 120.0 -CT CUA1 XI 60.0 120.0 -CT3 CUA1 CT3 55.0 60.0 -CT3 CUA1 CUA1 65.0 150.0 -CT4 CUA1 CT4 55.0 100.0 -CT4 CUA1 CUA1 55.0 120.0 -CT4 CUA1 CUA2 55.0 113.0 -CUA1 CUA1 CUA1 60.0 180.0 -CUA1 CUA1 CUA2 55.0 122.7 -CUA1 CUA1 CUA3 55.0 122.7 -CUA1 CUA1 CUY1 90.0 122.0 -CUA1 CUA1 CUY2 90.0 122.0 -CUA1 CUA1 MSE 50.0 120.0 -CUA1 CUA1 N 50.0 122.0 -CUA1 CUA1 N3 50.0 122.0 -CUA1 CUA1 N5R 50.0 122.0 -CUA1 CUA1 N6R 50.0 122.0 -CUA1 CUA1 NP 50.0 122.0 -CUA1 CUA1 NT 50.0 122.0 -CUA1 CUA1 NX 50.0 122.0 -CUA1 CUA1 OE 60.0 122.3 -CUA1 CUA1 OS 60.0 122.3 -CUA1 CUA1 OT 60.0 124.3 -CUA1 CUA1 PT 60.0 120.0 -CUA1 CUA1 SE 60.0 123.0 -CUA1 CUA1 SO2 60.0 120.0 -CUA1 CUA1 SO3 60.0 120.0 -CUA1 CUA1 ST 60.0 120.0 -CUA1 CUA1 XBR 50.0 124.3 -CUA1 CUA1 XCL 50.0 124.3 -CUA1 CUA1 XF 50.0 120.0 -CUA1 CUA1 XI 50.0 120.0 -CUA2 CUA1 CUA2 60.0 120.0 -CUA2 CUA1 CUA3 60.0 120.0 -CUA2 CUA1 OE 50.0 120.0 -CUA2 CUA1 OT 60.0 120.0 -CUA2 CUA1 SE 50.0 120.0 -CUA3 CUA1 OE 50.0 120.0 -CUY1 CUA1 ST 60.0 120.0 -CUY2 CUA1 CUY2 60.0 120.0 -CUY2 CUA1 OE 60.0 120.0 -HA CUA1 C3 35.0 175.0 -HA CUA1 C4 35.0 150.0 -HA CUA1 CUA1 35.0 119.4 -HA CUA1 CUA2 25.0 114.4 -HA CUA1 CUA3 25.0 114.4 -HA CUA1 CUY1 25.0 121.0 -HA CUA1 CUY2 25.0 121.0 -HA CUA1 HA 29.0 115.1 -HA CUA1 MSE 35.0 120.0 -HA CUA1 MSIU 35.0 120.0 -HA CUA1 N3 35.0 120.0 -HA CUA1 N5R 35.0 127.0 -HA CUA1 NP 35.0 120.0 -HA CUA1 NT 35.0 120.0 -HA CUA1 NX 35.0 120.0 -HA CUA1 OE 35.0 115.0 -HA CUA1 OS 35.0 115.0 -HA CUA1 OT 35.0 113.0 -HA CUA1 PT 35.0 117.0 -HA CUA1 SE 35.0 120.0 -HA CUA1 SO2 35.0 120.0 -HA CUA1 XBR 50.0 120.0 -HA CUA1 XCL 50.0 120.0 -HA CUA1 XF 90.0 120.6 -HA CUA1 XI 50.0 120.0 -N CUA1 O 30.0 180.0 -NP CUA1 NP 60.0 120.0 -NP CUA1 NX 60.0 120.0 -NP CUA1 OE 50.0 120.0 -NP CUA1 SE 40.0 117.0 -NT CUA1 NT 35.0 114.0 -NT CUA1 SE 50.0 120.0 -NX CUA1 SE 45.0 120.0 -PT CUA1 SE 50.0 120.0 -SE CUA1 SE 35.0 115.0 -SO2 CUA1 SE 35.0 120.0 -SO3 CUA1 SE 35.0 120.0 -XBR CUA1 CUA2 70.0 120.0 -XBR CUA1 XBR 50.0 120.0 -XBR CUA1 XCL 60.0 120.0 -XBR CUA1 XF 70.0 120.0 -XBR CUA1 XI 80.0 120.0 -XCL CUA1 CUA2 50.0 120.0 -XCL CUA1 XCL 50.0 120.0 -XCL CUA1 XF 60.0 120.0 -XCL CUA1 XI 70.0 120.0 -XF CUA1 CUA2 50.0 120.0 -XF CUA1 XF 50.0 110.0 -XI CUA1 CUA2 90.0 120.0 -XI CUA1 XI 90.0 120.0 -C CUA2 C5R 60.0 120.0 -C CUA2 C6R 60.0 120.0 -C CUA2 CF1 60.0 120.0 -C CUA2 CF2 60.0 120.0 -C CUA2 CF3 60.0 120.0 -C CUA2 CT 60.0 120.0 -C CUA2 CUA2 72.0 121.0 -C CUA2 CUY2 35.0 120.0 -C CUA2 N3 50.0 118.0 -C CUA2 NP 60.0 120.0 -C CUA2 NT 60.0 120.0 -C CUA2 NX 50.0 118.0 -C CUA2 OE 50.0 120.0 -C CUA2 OT 60.0 120.0 -C CUA2 SE 50.0 120.0 -C CUA2 XBR 50.0 116.0 -C CUA2 XCL 60.0 120.0 -C CUA2 XF 60.0 120.0 -C CUA2 XI 60.0 120.0 -C4 CUA2 CUA2 55.0 90.0 -C5R CUA2 C5R 60.0 125.0 -C5R CUA2 C6R 60.0 122.0 -C5R CUA2 CT 60.0 120.0 -C5R CUA2 CUA1 60.0 120.0 -C5R CUA2 CUA2 60.0 122.0 -C5R CUA2 CUA3 60.0 122.0 -C5R CUA2 NP 60.0 120.0 -C5R CUA2 NT 60.0 120.0 -C5R CUA2 XBR 60.0 120.0 -C5R CUA2 XCL 60.0 120.0 -C5R CUA2 XF 60.0 120.0 -C5R CUA2 XI 60.0 120.0 -C6R CUA2 C6R 60.0 116.0 -C6R CUA2 CUA1 60.0 120.0 -C6R CUA2 CUA2 50.0 118.0 -C6R CUA2 N5R 60.0 120.0 -C6R CUA2 N6R 60.0 120.0 -C6R CUA2 NP 60.0 120.0 -C6R CUA2 NT 60.0 120.0 -C6R CUA2 NX 60.0 120.0 -C6R CUA2 SE 50.0 120.0 -C6R CUA2 XBR 60.0 120.0 -C6R CUA2 XCL 60.0 120.0 -C6R CUA2 XF 60.0 120.0 -C6R CUA2 XI 60.0 120.0 -CH1E CUA2 CH2E 60.0 120.0 -CH1E CUA2 CH3E 60.0 120.0 -CH1E CUA2 CUA1 60.0 120.0 -CH1E CUA2 CUA2 60.0 122.0 -CH1E CUA2 CUA3 60.0 120.0 -CH2E CUA2 CUA1 60.0 120.0 -CH2E CUA2 CUA2 60.0 122.0 -CH2E CUA2 CUA3 60.0 122.0 -CH3E CUA2 CUA1 60.0 120.0 -CH3E CUA2 CUA2 60.0 122.0 -CH3E CUA2 CUA3 60.0 122.0 -CT CUA2 CT 50.0 114.2 -CT CUA2 CUA1 50.0 114.4 -CT CUA2 CUA2 40.0 122.9 -CT CUA2 CUA3 50.0 114.4 -CT CUA2 NP 60.0 120.0 -CT CUA2 NT 60.0 120.0 -CT CUA2 NX 60.0 108.0 -CT CUA2 OE 60.0 115.0 -CT CUA2 SE 60.0 120.0 -CT CUA2 XBR 60.0 120.0 -CT CUA2 XCL 60.0 120.0 -CT CUA2 XF 60.0 120.0 -CT CUA2 XI 60.0 120.0 -CT4 CUA2 CT4 55.0 100.0 -CT4 CUA2 CUA1 55.0 113.0 -CT4 CUA2 CUA2 55.0 120.0 -CUA1 CUA2 CUA1 60.0 120.0 -CUA1 CUA2 CUA3 60.0 120.0 -CUA1 CUA2 OE 50.0 120.0 -CUA1 CUA2 SE 50.0 120.0 -CUA2 CUA2 CUA1 55.0 122.7 -CUA2 CUA2 CUA3 55.0 122.7 -CUA2 CUA2 CUY1 90.0 120.0 -CUA2 CUA2 CUY2 90.0 120.0 -CUA2 CUA2 MSE 50.0 120.0 -CUA2 CUA2 N 50.0 122.0 -CUA2 CUA2 N3 50.0 122.0 -CUA2 CUA2 N6R 50.0 122.0 -CUA2 CUA2 NP 50.0 122.0 -CUA2 CUA2 NT 50.0 122.0 -CUA2 CUA2 NX 50.0 122.0 -CUA2 CUA2 OE 60.0 120.0 -CUA2 CUA2 OT 60.0 120.0 -CUA2 CUA2 SE 60.0 120.0 -CUA2 CUA2 SO2 60.0 120.0 -CUA2 CUA2 SO3 60.0 120.0 -CUA2 CUA2 ST 60.0 120.0 -CUA2 CUA2 XBR 50.0 120.0 -CUA2 CUA2 XCL 50.0 120.0 -CUA2 CUA2 XF 50.0 120.0 -CUA2 CUA2 XI 50.0 120.0 -CUA3 CUA2 OE 50.0 120.0 -CUA3 CUA2 OT 60.0 120.0 -CUY1 CUA2 ST 60.0 120.0 -HA CUA2 C 28.0 118.0 -HA CUA2 C5R 40.0 117.5 -HA CUA2 C6R 40.0 117.0 -HA CUA2 CH1E 35.0 120.0 -HA CUA2 CH2E 35.0 120.0 -HA CUA2 CH3E 35.0 120.0 -HA CUA2 CT 34.0 115.2 -HA CUA2 CT4 35.0 150.0 -HA CUA2 CUA1 25.0 114.4 -HA CUA2 CUA2 35.0 119.4 -HA CUA2 CUA3 25.0 114.4 -HA CUA2 CUY1 25.0 121.0 -HA CUA2 CUY2 25.0 121.0 -HA CUA2 HA 29.0 118.0 -HA CUA2 MSE 35.0 120.0 -HA CUA2 NP 50.0 120.0 -HA CUA2 NT 50.0 120.0 -HA CUA2 NX 35.0 120.0 -HA CUA2 OE 35.0 115.0 -HA CUA2 SE 35.0 120.0 -HA CUA2 SO2 35.0 120.0 -HA CUA2 XBR 50.0 120.0 -HA CUA2 XCL 50.0 120.0 -HA CUA2 XF 90.0 120.6 -HA CUA2 XI 50.0 120.0 -MSI CUA2 CUA1 50.0 120.0 -N5R CUA2 CUA1 60.0 120.0 -N5R CUA2 CUA3 60.0 120.0 -N6R CUA2 CUA1 60.0 120.0 -N6R CUA2 CUA3 60.0 120.0 -NP CUA2 CUA1 60.0 120.0 -NP CUA2 CUA3 60.0 120.0 -NP CUA2 OE 50.0 120.0 -NP CUA2 SE 40.0 117.0 -NT CUA2 CUA1 60.0 120.0 -NT CUA2 NT 35.0 114.0 -NT CUA2 SE 50.0 120.0 -NX CUA2 SE 45.0 120.0 -O5R CUA2 CUA1 60.0 120.0 -OS CUA2 CUA1 60.0 120.0 -S5R CUA2 CUA1 60.0 120.0 -S6R CUA2 CUA1 60.0 120.0 -SE CUA2 CUY2 35.0 120.0 -SE CUA2 SE 35.0 115.0 -SE CUA2 SO2 35.0 120.0 -SE CUA2 SO3 35.0 120.0 -XBR CUA2 CUA1 70.0 120.0 -XCL CUA2 CUA1 60.0 120.0 -XCL CUA2 XCL 70.0 120.0 -XF CUA2 CUA1 60.0 120.0 -XF CUA2 XF 50.0 110.0 -XI CUA2 CUA1 60.0 120.0 -C5R CUA3 C5R 60.0 125.0 -C5R CUA3 C6R 60.0 122.0 -C5R CUA3 CT 60.0 120.0 -C5R CUA3 CUA3 60.0 120.0 -C6R CUA3 C6R 60.0 116.0 -C6R CUA3 CUA1 60.0 120.0 -C6R CUA3 CUA2 60.0 120.0 -C6R CUA3 CUA3 50.0 118.0 -CH1E CUA3 CUA1 60.0 120.0 -CH1E CUA3 CUA2 60.0 120.0 -CH1E CUA3 CUA3 60.0 120.0 -CH2E CUA3 CUA3 60.0 122.0 -CH3E CUA3 CUA1 60.0 120.0 -CH3E CUA3 CUA2 60.0 120.0 -CH3E CUA3 CUA3 60.0 122.0 -CH3E CUA3 HA 35.0 120.0 -CT CUA3 CT 50.0 114.2 -CT CUA3 CUA1 50.0 120.0 -CT CUA3 CUA2 50.0 120.0 -CT CUA3 CUA3 40.0 122.9 -CT3 CUA3 CUA3 55.0 60.0 -CUA1 CUA3 CUA1 60.0 120.0 -CUA1 CUA3 CUA2 60.0 120.0 -CUA1 CUA3 CUA3 55.0 122.7 -CUA1 CUA3 OE 50.0 120.0 -CUA2 CUA3 CUA3 55.0 122.7 -CUA2 CUA3 OE 60.0 120.0 -HA CUA3 C 28.0 118.0 -HA CUA3 C5R 40.0 117.5 -HA CUA3 C6R 40.0 117.0 -HA CUA3 CT 34.0 115.2 -HA CUA3 CT3 35.0 175.0 -HA CUA3 CT4 35.0 150.0 -HA CUA3 CUA1 18.0 114.4 -HA CUA3 CUA2 18.0 114.4 -HA CUA3 CUA3 25.0 121.0 -HA CUA3 HA 29.0 118.0 -NP CUA3 NP 60.0 180.0 -NT CUA3 CUA1 60.0 120.0 -NT CUA3 NT 35.0 114.0 -C CUY1 CUY1 30.0 180.0 -C6R CUY1 CUY1 30.0 180.0 -C6R CUY1 N 30.0 180.0 -CF3 CUY1 CUY1 35.0 180.0 -CH1E CUY1 CUY1 30.0 180.0 -CH1E CUY1 N 30.0 180.0 -CH2E CUY1 CUY1 30.0 180.0 -CH3E CUY1 CUY1 30.0 180.0 -CH3E CUY1 N 30.0 180.0 -CT CUY1 CUY1 25.0 180.0 -CT CUY1 N 30.0 180.0 -CUA1 CUY1 CUY1 42.0 180.0 -CUA1 CUY1 N 35.0 180.0 -CUA2 CUY1 N 35.0 180.0 -CUY1 CUY1 CUY2 35.0 180.0 -CUY1 CUY1 MAL 35.0 160.0 -CUY1 CUY1 MSE 35.0 180.0 -CUY1 CUY1 MSI 35.0 180.0 -CUY1 CUY1 SE 35.0 180.0 -CUY1 CUY1 XF 35.0 180.0 -HA CUY1 CUY1 13.0 180.0 -HA CUY1 N 13.0 180.0 -NP CUY1 OM 50.0 180.0 -C CUY2 N 60.0 180.0 -C6R CUY2 CUY2 30.0 180.0 -C6R CUY2 N 60.0 180.0 -CT CUY2 CUY2 30.0 180.0 -CT CUY2 N 30.0 180.0 -CUA1 CUY2 N 35.0 180.0 -CUA2 CUY2 N 35.0 180.0 -CUY1 CUY2 CUY2 35.0 180.0 -HA CUY2 CUY2 13.0 180.0 -HA CUY2 N 13.0 180.0 -MAL HA MAL 55.0 120.0 -B HMU B 25.0 118.0 -HT HT OT 0.0 127.74 -HT HT OW 0.0 127.74 -C N C 50.0 120.0 -C N C6R 60.0 120.0 -C N CF1 55.0 120.0 -C N CF2 55.0 120.0 -C N CF3 55.0 120.0 -C N CT 50.0 120.0 -C N CUA1 50.0 120.0 -C N CUA2 50.0 120.0 -C N H 30.0 110.0 -C N N 50.0 108.0 -C N NO2 70.0 120.0 -C N NP 50.0 180.0 -C N OE 50.0 114.0 -C N OT 50.0 110.0 -C N SO2 60.0 115.0 -C6R N CUY2 50.0 180.0 -C6R N N 60.0 112.0 -C6R N NP 60.0 112.0 -C6R N O 50.0 118.0 -C6R N OC 50.0 114.0 -CF1 N O 50.0 111.5 -CF2 N O 50.0 111.0 -CF3 N O 50.0 110.0 -CT N CUA1 30.0 180.0 -CT N N 30.0 107.0 -H N H 42.0 106.9 -H N N 30.0 107.0 -N N N 50.0 108.0 -N N NT 50.0 108.0 -NP N N 50.0 180.0 -O N N 50.0 130.0 -OC N N 50.0 126.0 -SE N SE 80.0 111.0 -CT N3 CT3 45.0 107.5 -CT N3 N3 45.0 107.5 -CT3 N3 CT3 45.0 60.0 -CT3 N3 CUA1 55.0 135.0 -CT3 N3 CUA2 55.0 135.0 -CT3 N3 N3 45.0 60.0 -H N3 CT3 30.0 120.0 -H N3 N3 30.0 120.0 -C N5R C 70.0 106.0 -C N5R CR56 70.0 106.0 -C N5R CUA1 70.0 108.0 -C N5R CUA2 70.0 108.0 -C N5R CUA3 70.0 108.0 -C N5R NR56 70.0 106.0 -C N5R SO2 116.0 126.4 -C5R N5R C5R 70.0 108.0 -C5R N5R C5RE 70.0 106.0 -C5R N5R C5RP 70.0 106.0 -C5R N5R C5RQ 70.0 106.0 -C5R N5R CR55 70.0 106.0 -C5R N5R CR56 70.0 106.0 -C5R N5R N5R 70.0 127.0 -C5R N5R N5RP 70.0 106.0 -C5R N5R N6R 70.0 106.0 -C5R N5R NR55 70.0 107.0 -C5R N5R NR56 70.0 107.0 -C5R N5R O5R 90.0 106.0 -C5R N5R OC 90.0 127.0 -C5R N5R S5R 70.0 106.0 -C5R N5R SO2 116.0 126.4 -C5RE N5R C5RE 65.0 106.0 -C5RE N5R CR55 65.0 106.0 -C5RE N5R CR56 65.0 106.0 -C5RE N5R NR56 65.0 107.0 -C5RP N5R C5RP 70.0 106.0 -C5RP N5R C5RQ 70.0 106.0 -C5RP N5R CR55 70.0 106.0 -C5RP N5R CR56 70.0 106.0 -C5RP N5R N5R 70.0 106.0 -C6R N5R C5R 70.0 127.0 -C6R N5R CR56 70.0 120.0 -C6R N5R N5R 70.0 127.0 -C6R N5R NR56 70.0 120.0 -CH1E N5R C5R 70.0 127.0 -CH1E N5R C5RE 70.0 127.0 -CH1E N5R C5RP 70.0 127.0 -CH1E N5R CR55 70.0 127.0 -CH1E N5R CR56 70.0 127.0 -CH1E N5R N5RP 70.0 127.0 -CH2E N5R C5R 70.0 127.0 -CH2E N5R C5RE 70.0 127.0 -CH2E N5R C5RP 70.0 127.0 -CH2E N5R CR55 70.0 127.0 -CH2E N5R CR56 70.0 127.0 -CH2E N5R N5RP 70.0 127.0 -CH2E N5R NR55 70.0 127.0 -CH3E N5R C5R 70.0 127.0 -CH3E N5R C5RE 70.0 127.0 -CH3E N5R C5RP 70.0 127.0 -CH3E N5R CR55 70.0 127.0 -CH3E N5R CR56 70.0 127.0 -CH3E N5R N5RP 70.0 127.0 -CH3E N5R NR55 70.0 127.0 -CR56 N5R N5R 70.0 127.0 -CR56 N5R SO2 70.0 127.0 -CT N5R C5R 70.0 130.0 -CT N5R C5RP 70.0 127.0 -CT N5R C5RQ 70.0 127.0 -CT N5R C6RE 70.0 127.0 -CT N5R CR55 70.0 127.0 -CT N5R CR56 70.0 124.0 -CT N5R N5R 70.0 127.0 -CT N5R N5RP 70.0 127.0 -CT N5R NR55 70.0 127.0 -CT N5R NR56 70.0 127.0 -CUA1 N5R NP 60.0 107.0 -H N5R C5R 30.0 127.0 -H N5R C5RE 30.0 127.0 -H N5R C5RP 30.0 127.0 -H N5R C5RQ 30.0 127.0 -H N5R CR55 30.0 127.0 -H N5R CR56 30.0 127.0 -H N5R CUA1 30.0 127.0 -H N5R N5R 30.0 127.0 -H N5R N5RP 30.0 127.0 -H N5R NP 30.0 127.0 -H N5R NR55 30.0 127.0 -H N5R NR56 30.0 127.0 -FE N5R C5R 10.0 127.0 -N5R N5R N5R 70.0 106.0 -C5R N5RP C5RP 70.0 127.0 -C5R N5RP C6RP 70.0 127.0 -C5R N5RP CR55 70.0 106.0 -C5R N5RP CR56 70.0 106.0 -C5R N5RP N5R 70.0 106.0 -C5R N5RP O5R 70.0 106.0 -C5R N5RP S5R 70.0 106.0 -C5RP N5RP CR55 70.0 106.0 -C5RP N5RP CR56 70.0 106.0 -C5RP N5RP N5R 70.0 106.0 -C6RP N5RP N5R 70.0 127.0 -C N6R C 116.0 126.4 -C N6R C6R 116.0 125.3 -C N6R C6RE 116.0 125.3 -C N6R CH1E 70.0 117.6 -C N6R CH3E 70.0 120.0 -C N6R CQ66 70.0 120.0 -C N6R CR56 70.0 120.0 -C N6R CR66 70.0 120.0 -C N6R CS66 70.0 120.0 -C N6R CT 70.0 120.0 -C N6R CUA1 70.0 120.0 -C N6R CUA2 70.0 120.0 -C N6R CUA3 70.0 120.0 -C N6R H 35.0 119.3 -C N6R NR56 70.0 120.0 -C N6R NR66 70.0 120.0 -C N6R P6R 70.0 120.0 -C N6R S6R 116.0 125.3 -C N6R SO2 116.0 125.3 -C5R N6R CR56 70.0 120.0 -C5R N6R N6R 70.0 120.0 -C5R N6R NR56 70.0 120.0 -C6R N6R C6R 70.0 115.5 -C6R N6R C6RE 70.0 120.0 -C6R N6R C6RP 70.0 120.0 -C6R N6R C6RQ 70.0 120.0 -C6R N6R CQ66 70.0 120.0 -C6R N6R CR56 70.0 120.0 -C6R N6R CR66 70.0 120.0 -C6R N6R CS66 70.0 120.0 -C6R N6R N5R 70.0 120.0 -C6R N6R N6R 70.0 108.0 -C6R N6R NR56 70.0 120.0 -C6R N6R NR66 70.0 120.0 -C6R N6R O 70.0 120.0 -C6R N6R P6R 70.0 120.0 -C6RE N6R C6RE 65.0 120.0 -C6RE N6R CQ66 65.0 120.0 -C6RE N6R CR66 65.0 120.0 -C6RP N6R C6RP 70.0 120.0 -C6RP N6R CR56 70.0 120.0 -C6RP N6R N5R 70.0 120.0 -C6RP N6R NR56 70.0 120.0 -C6RP N6R NR66 70.0 120.0 -CH1E N6R C6R 70.0 120.0 -CH1E N6R C6RE 70.0 120.0 -CH1E N6R CR56 70.0 120.0 -CH1E N6R CR66 70.0 120.0 -CH1E N6R NR66 70.0 120.0 -CH2E N6R C6R 70.0 120.0 -CH2E N6R C6RE 70.0 120.0 -CH2E N6R CR56 70.0 120.0 -CH2E N6R CR66 70.0 120.0 -CH2E N6R NR66 70.0 120.0 -CH3E N6R C6R 70.0 120.0 -CH3E N6R C6RE 70.0 120.0 -CH3E N6R CR56 70.0 120.0 -CH3E N6R CR66 70.0 120.0 -CH3E N6R NR66 70.0 120.0 -CR56 N6R C6RE 70.0 111.0 -CR56 N6R N5R 70.0 120.0 -CR56 N6R N6R 70.0 120.0 -CR56 N6R N6RP 70.0 120.0 -CR66 N6R C6RP 65.0 120.0 -CR66 N6R C6RQ 65.0 120.0 -CR66 N6R CR66 65.0 120.0 -CT N6R C6R 70.0 120.0 -CT N6R C6RE 70.0 120.0 -CT N6R CQ66 70.0 120.0 -CT N6R CR56 70.0 120.0 -CT N6R CR66 70.0 120.0 -CT N6R CS66 70.0 120.0 -CT N6R CUA1 70.0 120.0 -CT N6R CUA2 70.0 120.0 -CT N6R CUA3 70.0 120.0 -CT N6R NR56 70.0 120.0 -CT N6R NR66 70.0 120.0 -H N6R C6R 30.0 120.0 -H N6R C6RE 30.0 120.0 -H N6R CQ66 30.0 120.0 -H N6R CR56 30.0 120.0 -H N6R CR66 30.0 120.0 -H N6R CS66 30.0 120.0 -H N6R NR56 30.0 120.0 -H N6R NR66 30.0 120.0 -H N6R S6R 30.0 120.0 -H N6R SO1 30.0 120.0 -H N6R SO2 30.0 120.0 -H N6R SO3 30.0 120.0 -C6R N6RP C6R 70.0 120.0 -C6R N6RP C6RP 70.0 120.0 -C6R N6RP C6RQ 70.0 120.0 -C6R N6RP CR66 70.0 120.0 -C6R N6RP N6R 70.0 120.0 -C6RE N6RP C6RE 65.0 120.0 -C6RP N6RP C6RP 70.0 120.0 -C6RP N6RP N5R 70.0 120.0 -C6RP N6RP NR66 70.0 120.0 -CR66 N6RP C6RP 65.0 120.0 -CR66 N6RP C6RQ 65.0 120.0 -CR66 N6RP CR66 65.0 120.0 -C NC CT 44.0 117.6 -HC NC C 35.0 120.0 -HC NC CT 35.0 120.0 -HC NC HC 40.0 120.0 -C NO2 O 65.0 117.0 -C5R NO2 O 58.0 117.0 -C6R NO2 O 58.0 117.0 -CH1E NO2 O 58.0 117.0 -CH2E NO2 O 58.0 117.0 -CH3E NO2 O 58.0 117.0 -CT NO2 O 58.0 117.0 -N NO2 O 58.0 117.0 -NP NO2 O 180.0 117.0 -O NO2 O 160.0 127.0 -OE NO2 O 58.0 111.5 -C NP C 60.0 120.0 -C NP C5R 60.0 120.0 -C NP C6R 60.0 120.0 -C NP CF1 60.0 115.0 -C NP CF2 60.0 115.0 -C NP CF3 60.0 115.0 -C NP CH1E 44.0 117.6 -C NP CH2E 44.0 117.6 -C NP CH3E 44.0 117.6 -C NP CR56 70.0 120.0 -C NP CR66 60.0 120.0 -C NP CT 44.0 117.6 -C NP CUA1 60.0 120.0 -C NP CUA2 60.0 120.0 -C NP CUA3 60.0 120.0 -C NP CUY1 60.0 120.0 -C NP N 50.0 120.0 -C NP N5R 50.0 107.0 -C NP NO2 50.0 126.0 -C NP NP 80.0 120.0 -C NP NT 60.0 120.0 -C NP OE 50.0 120.0 -C NP OS 50.0 120.0 -C NP OT 50.0 120.0 -C NP SO2 60.0 115.0 -C NP SO3 60.0 120.0 -C NP XCL 60.0 120.0 -C5R NP CT 80.0 120.0 -C5R NP OT 65.0 120.0 -C5R NP SO1 80.0 120.0 -C5R NP SO2 80.0 120.0 -C6R NP C6R 80.0 120.0 -C6R NP CF1 80.0 120.0 -C6R NP CF2 80.0 120.0 -C6R NP CF3 80.0 120.0 -C6R NP CT 80.0 120.0 -C6R NP CUA1 60.0 120.0 -C6R NP CUA2 60.0 120.0 -C6R NP CUA3 60.0 120.0 -C6R NP N 60.0 180.0 -C6R NP NP 50.0 120.0 -C6R NP NT 60.0 120.0 -C6R NP OT 50.0 120.0 -C6R NP PUA1 50.0 120.0 -C6R NP SO2 50.0 120.0 -C6R NP SO3 50.0 120.0 -C6R NP XCL 60.0 120.0 -CH1E NP C5R 77.5 120.0 -CH1E NP C6R 77.5 120.0 -CH1E NP CH1E 60.0 120.0 -CH1E NP CH2E 60.0 120.0 -CH1E NP CH3E 60.0 120.0 -CH1E NP CT 60.0 120.0 -CH1E NP CUA1 77.5 120.0 -CH1E NP CUA2 77.5 120.0 -CH1E NP CUA3 77.5 120.0 -CH1E NP PT 60.0 120.0 -CH1E NP SO1 60.0 120.0 -CH1E NP SO2 60.0 120.0 -CH2E NP C5R 77.5 120.0 -CH2E NP C6R 77.5 120.0 -CH2E NP CH2E 60.0 120.0 -CH2E NP CH3E 60.0 120.0 -CH2E NP CT 60.0 120.0 -CH2E NP CUA1 77.5 120.0 -CH2E NP CUA2 77.5 120.0 -CH2E NP CUA3 77.5 120.0 -CH2E NP PT 55.0 120.0 -CH2E NP SO1 60.0 120.0 -CH2E NP SO2 60.0 120.0 -CH3E NP C5R 77.5 120.0 -CH3E NP C6R 77.5 120.0 -CH3E NP CH3E 60.0 120.0 -CH3E NP CT 60.0 120.0 -CH3E NP CUA1 77.5 120.0 -CH3E NP CUA2 77.5 120.0 -CH3E NP CUA3 77.5 120.0 -CH3E NP PT 55.0 120.0 -CH3E NP SO1 60.0 120.0 -CH3E NP SO2 60.0 120.0 -CT NP CT 80.0 120.5 -CT NP CUA1 80.0 120.0 -CT NP CUA2 80.0 120.0 -CT NP CUA3 80.0 120.0 -CT NP CUY1 60.0 120.0 -CT NP CUY2 60.0 120.0 -CT NP N 50.0 120.0 -CT NP NO2 40.0 120.5 -CT NP NP 60.0 120.0 -CT NP NT 50.0 120.0 -CT NP OT 50.0 120.0 -CT NP SO1 60.0 120.0 -CT NP SO2 43.0 120.0 -CT NP SO3 43.0 120.0 -CT NP XCL 60.0 120.0 -CT4 NP C 44.0 117.6 -CUA1 NP CUA1 60.0 120.0 -CUA1 NP NP 60.0 120.0 -CUA1 NP SO2 80.0 120.0 -CUA2 NP NP 60.0 120.0 -CUA2 NP SO2 80.0 120.0 -H NP C 18.0 119.7 -H NP C5R 30.0 120.0 -H NP C6R 30.0 120.0 -H NP CF1 23.0 120.0 -H NP CF2 23.0 120.0 -H NP CF3 23.0 120.0 -H NP CH1E 23.0 120.8 -H NP CH2E 23.0 120.8 -H NP CH3E 23.0 120.8 -H NP CT 18.0 119.8 -H NP CT4 23.0 120.8 -H NP CUA1 35.0 120.0 -H NP CUA2 35.0 120.0 -H NP CUA3 35.0 120.0 -H NP CUY1 35.0 120.0 -H NP H 18.0 117.6 -H NP N 35.0 126.0 -H NP NO2 35.0 120.0 -H NP NP 35.0 120.0 -H NP NT 35.0 120.0 -H NP OT 35.0 120.0 -H NP PT 35.0 120.0 -H NP SO1 30.0 120.0 -H NP SO2 30.0 120.0 -MCU NP C 80.0 120.0 -MCU NP N 80.0 120.0 -NP NP NT 50.0 115.0 -NP NP OE 50.0 120.0 -NP NP PUA1 50.0 120.0 -OT NP CH1E 50.0 120.0 -OT NP CH2E 50.0 120.0 -OT NP N 50.0 120.0 -SO3 NP H 40.0 120.0 -CPH1 NR1 CPH2 130.0 107.5 -CPH1 NR1 H 30.0 125.5 -CPH2 NR1 H 30.0 127.0 -CPH1 NR2 CPH2 130.0 104.0 -CPH1 NR3 CPH2 145.0 108.0 -CPH1 NR3 H 25.0 126.0 -CPH2 NR3 H 25.0 126.0 -C5RE NR55 C5R 65.0 133.0 -C5RE NR55 CR55 65.0 107.0 -C5RE NR55 N5R 65.0 107.0 -C5RP NR55 C5R 70.0 133.0 -C5RP NR55 C5RP 70.0 133.0 -C5RP NR55 C5RQ 70.0 133.0 -C5RP NR55 CR55 70.0 107.0 -C5R NR56 C6R 70.0 134.0 -C5R NR56 CR56 70.0 106.0 -C5R NR56 N6R 70.0 134.0 -C5RP NR56 C6R 70.0 133.0 -C5RP NR56 C6RP 70.0 133.0 -C5RP NR56 C6RQ 70.0 133.0 -C5RP NR56 CR56 70.0 107.0 -C6R NR56 CR56 70.0 120.0 -C6R NR56 N5R 70.0 134.0 -C6RP NR56 CR56 70.0 120.0 -C6RP NR56 N5R 70.0 134.0 -CR56 NR56 N6R 70.0 120.0 -N5R NR56 CR56 70.0 106.0 -C6R NR66 C6R 70.0 120.0 -C6R NR66 C6RP 70.0 120.0 -C6R NR66 C6RQ 70.0 120.0 -C6R NR66 CQ66 70.0 120.0 -C6R NR66 CR56 70.0 120.0 -C6R NR66 CR66 70.0 120.0 -C6R NR66 CS66 70.0 120.0 -C6R NR66 N6R 70.0 120.0 -C6R NR66 N6RP 70.0 120.0 -C6RE NR66 C6RE 65.0 120.0 -C6RE NR66 CQ66 65.0 120.0 -C6RE NR66 CR66 65.0 120.0 -C6RP NR66 C6RP 70.0 120.0 -C6RP NR66 N6R 70.0 120.0 -C NT C5R 35.0 109.47 -C NT C6R 35.0 109.47 -C NT CF1 35.0 109.47 -C NT CF2 35.0 109.47 -C NT CF3 35.0 109.47 -C NT CH1E 35.0 109.47 -C NT CH2E 35.0 109.47 -C NT CH3E 35.0 109.47 -C NT CT 35.0 109.47 -C NT CUA1 35.0 109.47 -C NT CUA2 35.0 109.47 -C NT CUA3 35.0 109.47 -C NT N 35.0 109.47 -C5R NT C5R 35.0 109.47 -C5R NT C6R 35.0 109.47 -C6R NT C6R 35.0 109.47 -C6R NT CF1 35.0 109.47 -C6R NT CF2 35.0 109.47 -C6R NT CF3 35.0 109.47 -C6R NT CH2E 35.0 109.47 -C6R NT CT 35.0 109.47 -C6R NT MAL 35.0 109.47 -CF1 NT CF1 56.0 106.0 -CF1 NT CF2 56.0 106.0 -CF1 NT CF3 56.0 106.0 -CF1 NT CT 56.0 106.0 -CF2 NT CF2 56.0 106.0 -CF2 NT CF3 56.0 106.0 -CH1E NT C5R 35.0 109.47 -CH1E NT C6R 35.0 109.47 -CH1E NT CH1E 35.0 109.47 -CH1E NT CH2E 35.0 109.47 -CH1E NT CH3E 35.0 109.47 -CH1E NT CT 35.0 109.47 -CH1E NT CUA1 30.0 109.47 -CH1E NT CUA2 30.0 109.47 -CH1E NT CUA3 30.0 109.47 -CH2E NT C5R 35.0 109.47 -CH2E NT CH2E 35.0 109.47 -CH2E NT CH3E 35.0 109.47 -CH2E NT CT 35.0 109.47 -CH2E NT CUA1 30.0 109.47 -CH2E NT CUA2 30.0 109.47 -CH2E NT CUA3 30.0 109.47 -CH3E NT C5R 35.0 109.47 -CH3E NT C6R 35.0 109.47 -CH3E NT CH3E 35.0 109.47 -CH3E NT CT 35.0 109.47 -CT NT C5R 35.0 109.47 -CT NT CT 35.0 110.5 -CT NT CT4 56.0 110.5 -CT NT LP 55.0 109.47 -CT NT MAL 35.0 109.47 -CT NT MSI 35.0 118.5 -CT NT NP 35.0 109.47 -CT NT NT 45.0 105.00 -CT NT O 45.0 109.47 -CT NT OE 35.0 109.47 -CT NT PT 55.0 109.47 -CT NT SO2 95.0 118.00 -CT NT SO3 95.0 118.0 -CT NT XCL 60.0 107.1 -CT3 NT CT3 45.0 60.0 -CT4 NT CT4 45.0 114.5 -CT4 NT NT 45.0 114.5 -CUA1 NT CT 35.0 109.47 -CUA1 NT CUA1 35.0 109.47 -CUA1 NT CUA2 35.0 109.47 -CUA1 NT CUA3 35.0 109.47 -CUA1 NT H 35.0 109.47 -CUA1 NT NP 35.0 109.47 -CUA2 NT CT 35.0 109.47 -CUA2 NT CUA2 35.0 109.47 -CUA2 NT H 35.0 109.47 -H NT C 35.0 109.47 -H NT C5R 35.0 109.47 -H NT C6R 35.0 109.47 -H NT CF1 35.0 109.47 -H NT CF2 35.0 109.47 -H NT CF3 35.0 109.47 -H NT CH1E 35.0 109.47 -H NT CH2E 35.0 109.47 -H NT CH3E 35.0 109.47 -H NT CT 42.0 110.5 -H NT CT3 35.0 107.0 -H NT CT4 35.0 107.0 -H NT H 42.0 106.9 -H NT HC 35.0 107.0 -H NT LP 55.0 109.47 -H NT N 35.0 109.47 -H NT NP 35.0 120.00 -H NT NT 48.0 109.47 -H NT OE 35.0 109.47 -H NT PT 45.0 109.47 -HC NT CH1E 35.0 109.47 -HC NT CH2E 35.0 109.47 -HC NT CH3E 35.0 109.47 -HC NT CT 35.0 109.47 -HC NT HC 40.0 109.47 -NP NT NP 35.0 107.00 -MAL NT MAL 55.0 109.47 -MCU NT C6R 72.0 130.0 -MCU NT CT 72.0 130.0 -MCU NT H 35.0 109.5 -MCU NT HC 35.0 107.0 -MCU NT NP 72.0 130.0 -MCU NT NT 72.0 130.0 -MSI NT MSI 26.0 127.7 -SO2 NT C 35.0 109.47 -SO2 NT C5R 50.0 120.0 -SO2 NT C6R 50.0 120.0 -SO2 NT CH1E 50.0 120.0 -SO2 NT CH2E 50.0 120.0 -SO2 NT CH3E 50.0 120.0 -SO2 NT H 50.0 109.47 -SO2 NT OE 45.0 104.00 -SO3 NT H 50.0 109.47 -C NX C 60.0 120.0 -C NX CH1E 50.0 121.0 -C NX CH2E 50.0 126.0 -C NX CP3 65.0 120.0 -C NX CT 65.0 117.6 -C NX CUA1 50.0 126.0 -C NX CUA2 50.0 126.0 -C NX CUA3 50.0 126.0 -C NX H 32.0 126.0 -C4 NX CT 45.0 135.0 -C4 NX CT4 45.0 90.0 -C4 NX CUA1 45.0 118.0 -C4 NX H 35.0 135.0 -C4 NX OE 45.0 135.0 -C4 NX SO3 45.0 135.0 -C6R NX C 60.0 120.0 -C6R NX CT 60.0 120.0 -CH1E NX CH1E 60.0 120.0 -CH1E NX CH2E 70.0 120.0 -CH1E NX CT 60.0 120.0 -CH2E NX CH2E 60.0 120.0 -CH2E NX CT 60.0 120.0 -CT NX CP3 95.0 120.0 -CT NX CT 95.0 117.0 -CT NX CT3 45.0 60.0 -CT NX CT4 45.0 135.0 -CT NX CUA1 60.0 120.0 -CT NX H 32.0 126.0 -CT3 NX H 35.0 150.0 -CT4 NX CUA1 55.0 110.0 -CT4 NX H 35.0 135.0 -CT4 NX OE 45.0 135.0 -CT4 NX SO3 45.0 135.0 -CUA2 NX CUA2 50.0 109.0 -PT NX C 60.0 180.0 -PT NX PT 60.0 180.0 -C O LP 55.0 120.0 -LP O LP 55.0 120.0 -MCU O C 100.0 130.0 -MAL O2M MAL 58.0 141.5 -MAL O2M MSI 58.0 141.5 -MSI O2M MSI 0.0 0.0 -MSI O2M OSH 0.0 0.0 -OSH O2M OSH 0.0 0.0 -C5R O5R C5R 100.0 106.0 -C5R O5R C5RE 70.0 106.0 -C5R O5R C5RP 70.0 106.0 -C5R O5R C5RQ 70.0 106.0 -C5R O5R CR55 100.0 108.0 -C5R O5R CR56 100.0 108.0 -C5R O5R N5R 70.0 108.0 -C5R O5R N5RP 70.0 106.0 -C5R O5R NR55 70.0 107.0 -C5R O5R S5R 70.0 107.0 -C5RE O5R C5RE 65.0 106.0 -C5RE O5R CR55 65.0 106.0 -C5RE O5R CR56 65.0 106.0 -C5RP O5R C5RP 70.0 106.0 -C5RP O5R C5RQ 70.0 106.0 -C5RP O5R CR55 70.0 106.0 -C5RP O5R CR56 70.0 106.0 -CH1E O5R C5R 70.0 127.0 -CH1E O5R C5RE 70.0 127.0 -CH1E O5R C5RP 70.0 127.0 -CH1E O5R CR55 70.0 127.0 -CH1E O5R CR56 70.0 127.0 -CH2E O5R C5R 70.0 127.0 -CH2E O5R C5RE 70.0 127.0 -CH2E O5R C5RP 70.0 127.0 -CH2E O5R CR55 70.0 127.0 -CH2E O5R CR56 70.0 127.0 -CH3E O5R C5R 70.0 127.0 -CH3E O5R C5RE 70.0 127.0 -CH3E O5R C5RP 70.0 127.0 -CH3E O5R CR55 70.0 127.0 -CH3E O5R CR56 70.0 127.0 -CR56 O5R CR56 100.0 108.0 -CT O5R C5R 70.0 127.0 -CT O5R C5RP 70.0 127.0 -CT O5R C5RQ 70.0 127.0 -CT O5R C6RE 70.0 127.0 -CT O5R CR55 70.0 127.0 -CT O5R CR56 70.0 127.0 -H O5R C5R 30.0 127.0 -H O5R C5RE 30.0 127.0 -H O5R C5RP 30.0 127.0 -H O5R C5RQ 30.0 127.0 -H O5R CR55 30.0 127.0 -H O5R CR56 30.0 127.0 -FE O5R C5R 0.0 127.0 -N5R O5R N5R 90.0 106.0 -C6R O6R C6R 60.0 120.0 -C6R O6R CQ66 60.0 120.0 -C6R O6R CR66 60.0 120.0 -C6R O6R CS66 60.0 120.0 -C6RE O6R C6RE 65.0 120.0 -CR66 O6R CR66 70.0 120.0 -CR66 OC C6RP 70.0 120.0 -B OE CT 45.0 130.0 -C OE C 116.0 126.4 -C OE C6R 122.0 118.0 -C OE C6RE 116.0 125.3 -C OE CF1 70.0 120.0 -C OE CF2 70.0 120.0 -C OE CF3 70.0 120.0 -C OE CH1E 70.0 117.6 -C OE CH3E 70.0 120.0 -C OE CT 70.0 120.0 -C OE CUA1 70.0 120.0 -C OE CUA2 70.0 120.0 -C OE CUA3 70.0 120.0 -C OE H 35.0 119.3 -C OE S6R 116.0 125.3 -C OE SO1 116.0 125.3 -C OE SO2 116.0 125.3 -C OE SO3 116.0 125.3 -C5R OE C5R 61.0 110.0 -C5R OE C6R 61.0 110.0 -C6R OE C6R 61.0 110.0 -C6R OE C6RE 70.0 120.0 -C6R OE CQ66 70.0 120.0 -C6R OE CR56 70.0 120.0 -C6R OE CR66 70.0 120.0 -C6R OE CUA1 70.0 120.0 -C6R OE CUA2 70.0 120.0 -C6R OE CUA3 70.0 120.0 -C6R OE MSI 58.0 118.0 -C6R OE NP 60.0 110.0 -C6R OE SO3 61.0 110.0 -C6R OE SO4 61.0 110.0 -C6RE OE C6RE 65.0 120.0 -C6RE OE C6RP 65.0 120.0 -C6RE OE CR56 65.0 120.0 -C6RE OE CR66 65.0 120.0 -CF1 OE CF1 85.0 111.0 -CF1 OE CF2 85.0 111.0 -CF1 OE CF3 85.0 111.0 -CF1 OE CT 85.0 111.0 -CF1 OE XF 85.0 100.8 -CF2 OE CF2 85.0 111.0 -CF2 OE CF3 85.0 111.0 -CF2 OE CT 85.0 111.0 -CF2 OE XF 85.0 100.8 -CF3 OE CF3 85.0 109.5 -CF3 OE CT 85.0 111.0 -CF3 OE XF 85.0 100.8 -CH1E OE C5R 61.0 110.0 -CH1E OE C5RE 122.0 118.0 -CH1E OE C5RP 122.0 118.0 -CH1E OE C6R 61.0 110.0 -CH1E OE C6RE 122.0 118.0 -CH1E OE C6RP 122.0 118.0 -CH1E OE CH1E 70.0 112.0 -CH1E OE CH2E 70.0 108.0 -CH1E OE CH3E 70.0 111.0 -CH1E OE CR55 122.0 118.0 -CH1E OE CR56 122.0 118.0 -CH1E OE CR66 122.0 118.0 -CH1E OE CT 70.0 111.0 -CH2E OE C5R 61.0 110.0 -CH2E OE C5RE 122.0 118.0 -CH2E OE C5RP 122.0 118.0 -CH2E OE C6R 61.0 110.0 -CH2E OE C6RE 122.0 118.0 -CH2E OE C6RP 122.0 118.0 -CH2E OE CH2E 70.0 111.0 -CH2E OE CH3E 70.0 111.0 -CH2E OE CR55 122.0 118.0 -CH2E OE CR56 122.0 118.0 -CH2E OE CR66 122.0 118.0 -CH2E OE CT 70.0 111.0 -CH3E OE C5R 61.0 110.0 -CH3E OE C5RE 122.0 118.0 -CH3E OE C5RP 122.0 118.0 -CH3E OE C6R 61.0 110.0 -CH3E OE C6RE 122.0 118.0 -CH3E OE C6RP 122.0 118.0 -CH3E OE CH3E 70.0 111.0 -CH3E OE CR55 122.0 118.0 -CH3E OE CR56 122.0 118.0 -CH3E OE CR66 122.0 118.0 -CH3E OE CT 70.0 111.0 -CR66 OE CR66 70.0 120.0 -CT OE C5R 61.0 110.0 -CT OE C5RE 122.0 118.0 -CT OE C5RP 122.0 118.0 -CT OE C5RQ 122.0 118.0 -CT OE C6R 61.0 108.0 -CT OE C6RE 122.0 118.0 -CT OE C6RP 122.0 118.0 -CT OE CR55 122.0 118.0 -CT OE CR56 122.0 118.0 -CT OE CR66 122.0 118.0 -CT OE CT 58.0 112.4 -CT OE CUA1 70.0 112.5 -CT OE CUA2 70.0 112.5 -CT OE CUA3 70.0 112.5 -CT OE MSI 58.0 118.0 -CT OE N 50.0 110.0 -CT OE NO2 61.0 110.0 -CT OE NP 50.0 110.0 -CT OE NT 50.0 108.0 -CT OE PT 50.0 110.0 -CT OE SE 50.0 110.0 -CT OE SO3 60.0 118.0 -CT OE SO4 60.0 118.0 -CT3 OE CT3 45.0 60.0 -CT4 OE CT4 45.0 95.0 -CT4 OE CUA1 45.0 112.5 -SH1E FE NP 50.0 90.0! Added 5-13-02 by Karl Clodfelter from 1bu7a -CH2E SH1E FE 50.0 105.2 -CUA1 OE CUA1 70.0 109.47 -CUA1 OE CUA2 70.0 109.47 -CUA1 OE MSI 70.0 130.0 -CUA1 OE N 70.0 111.0 -CUA1 OE NP 70.0 111.0 -H OE C6R 50.0 109.47 -H OE CT 50.0 109.47 -MAL OE MAL 55.0 120.0 -MCU OE C6R 100.0 128.6 -MCU OE CT 100.0 128.6 -FE OE CT 0.0 118.0 -MSE OE MSE 45.0 142.0 -NO2 OE NO2 50.0 110.0 -NX OE SO4 65.0 110.0 -H OH1 C6R 50.0 109.47 -H OH2 H 55.0 109.47122 -H OH2 LP 55.0 109.47122 -LP OH2 LP 55.0 109.47122 -FE OM OM 0.0 180.0 -C OS C 116.0 120.4 -C OS C5R 70.0 117.0 -C OS C6R 70.0 117.0 -C OS C6RE 70.0 119.0 -C OS CF1 75.0 120.0 -C OS CF2 75.0 120.0 -C OS CF3 75.0 120.0 -C OS CH1E 46.5 120.5 -C OS CH2E 46.5 120.5 -C OS CH3E 46.5 120.5 -C OS CT 83.0 115.9 -C OS CT4 83.0 114.5 -C OS CUA1 70.0 120.0 -C OS CUA2 70.0 120.0 -C OS CUA3 70.0 120.0 -C OS CUY1 70.0 119.0 -C OS H 35.0 119.3 -C OS S6R 116.0 125.3 -C OS SO1 116.0 125.3 -C OS SO2 116.0 125.3 -C OS SO3 116.0 125.3 -C5R OS C5R 122.0 118.0 -C5R OS C6R 122.0 118.0 -C5R OS PO4 85.0 118.0 -C5R OS SO4 47.6 120.5 -C6R OS C6R 122.0 118.0 -C6R OS C6RE 70.0 120.0 -C6R OS CQ66 70.0 120.0 -C6R OS CR56 70.0 120.0 -C6R OS CR66 70.0 120.0 -C6R OS OS 70.0 110.0 -C6R OS PO3 85.0 118.0 -C6R OS PO4 85.0 118.0 -C6R OS PT 85.0 118.0 -C6R OS SO4 47.6 120.5 -C6RE OS C6RE 65.0 120.0 -C6RE OS C6RP 65.0 120.0 -C6RE OS CR56 65.0 120.0 -C6RE OS CR66 65.0 120.0 -CH1E OS C5R 122.0 118.0 -CH1E OS C5RE 122.0 118.0 -CH1E OS C5RP 122.0 118.0 -CH1E OS C6R 122.0 118.0 -CH1E OS C6RE 122.0 118.0 -CH1E OS C6RP 122.0 118.0 -CH1E OS CH1E 70.0 111.0 -CH1E OS CH2E 70.0 111.0 -CH1E OS CH3E 70.0 111.0 -CH1E OS CR55 122.0 118.0 -CH1E OS CR56 122.0 118.0 -CH1E OS CR66 122.0 118.0 -CH1E OS CT 70.0 111.0 -CH1E OS PO4 85.0 118.0 -CH1E OS SO4 47.6 120.5 -CH2E OS C5R 122.0 118.0 -CH2E OS C5RE 122.0 118.0 -CH2E OS C5RP 122.0 118.0 -CH2E OS C6R 122.0 118.0 -CH2E OS C6RE 122.0 118.0 -CH2E OS C6RP 122.0 118.0 -CH2E OS CH2E 70.0 111.0 -CH2E OS CH3E 70.0 111.0 -CH2E OS CR55 122.0 118.0 -CH2E OS CR56 122.0 118.0 -CH2E OS CR66 122.0 118.0 -CH2E OS CT 70.0 111.0 -CH2E OS PO4 85.0 118.0 -CH2E OS SO4 47.6 120.5 -CH3E OS C5R 122.0 118.0 -CH3E OS C5RE 122.0 118.0 -CH3E OS C5RP 122.0 118.0 -CH3E OS C6R 122.0 118.0 -CH3E OS C6RE 122.0 118.0 -CH3E OS C6RP 122.0 118.0 -CH3E OS CH3E 70.0 111.0 -CH3E OS CR55 122.0 118.0 -CH3E OS CR56 122.0 118.0 -CH3E OS CR66 122.0 118.0 -CH3E OS CT 70.0 111.0 -CH3E OS PO4 85.0 118.0 -CH3E OS SO4 47.6 120.5 -CR66 OS CR66 70.0 120.0 -CT OS C5R 122.0 118.0 -CT OS C5RE 122.0 118.0 -CT OS C5RP 122.0 118.0 -CT OS C5RQ 122.0 118.0 -CT OS C6R 122.0 118.0 -CT OS C6RE 122.0 118.0 -CT OS C6RP 122.0 118.0 -CT OS CR55 122.0 118.0 -CT OS CR56 122.0 118.0 -CT OS CR66 122.0 118.0 -CT OS CT 70.0 111.0 -CT OS CUA1 70.0 111.0 -CT OS CUA2 70.0 111.0 -CT OS CUA3 70.0 111.0 -CT OS MAL 60.0 122.0 -CT OS MAS 60.0 122.0 -CT OS MSI 58.0 122.0 -CT OS OS 60.0 105.0 -CT OS PO4 85.0 118.0 -CT OS PT 85.0 118.0 -CT OS SO4 47.6 120.5 -H OS MAS 50.0 110.0 -H OS MSI 46.0 110.0 -H OS OS 50.0 110.0 -H OS PO4 58.0 111.5 -MAL OS MAL 62.0 138.0 -FE OS CT 0.0 118.0 -OS OS OS 70.0 119.0 -PO3 OS CT 50.0 111.5 -PO4 OS PO3 50.0 111.5 -PO4 OS PO4 50.0 131.0 -MSI OSH MSI 0.0 0.0 -MSI OSH O2M 0.0 0.0 -O2M OSH O2M 0.0 0.0 -MSI OSI MSI 7.5 149.0 -H OT B 45.0 112.0 -H OT C 57.0 112.5 -H OT C5R 50.0 109.47 -H OT C6R 50.0 109.47 -H OT CF1 58.0 106.0 -H OT CF2 58.0 106.0 -H OT CF3 58.0 106.0 -H OT CH1E 53.0 110.0 -H OT CH2E 53.0 110.0 -H OT CH3E 49.0 110.0 -H OT CT 58.0 106.0 -H OT CUA1 40.0 110.00 -H OT CUA2 49.0 110.0 -H OT CUA3 49.0 110.0 -H OT MAL 46.0 110.0 -H OT MAS 50.0 110.0 -H OT MSI 46.0 110.0 -H OT N 50.0 105.0 -H OT NP 50.0 112.5 -H OT PO3 58.0 111.5 -H OT PO4 58.0 111.5 -H OT PT 58.0 111.5 -H OT SO3 55.0 110.0 -H OT SO4 55.0 112.0 -HO OT C6R 50.0 109.47 -HO OT CH1E 53.0 106.7 -HO OT CH2E 53.0 106.7 -HO OT CH3E 53.0 106.7 -HO OT CT 59.0 106.7 -HO OT NP 50.0 106.7 -HO OT MSI 25.0 117.5 -HT OT HT 55.0 104.5 -CH3E OT CH3E 70.0 111.0 -HT OW HT 55.0 104.5 -C6R P6R C6R 70.0 120.0 -C6R PO3 O 135.0 113.0 -C6R PO3 OS 75.0 109.47 -C6R PO3 OT 75.0 109.47 -CT PO3 O 135.0 113.0 -CT PO3 OC 75.0 109.47 -CT PO3 OS 75.0 109.47 -CT PO3 OT 75.0 109.47 -O PO3 SK 50.0 102.6 -OC PO3 OC 144.0 109.47 -OS PO3 O 135.0 113.0 -OS PO3 OC 65.0 109.47 -OS PO3 OS 50.0 102.6 -OS PO3 OT 50.0 102.6 -OS PO3 SK 50.0 102.6 -OT PO3 O 135.0 113.0 -OT PO3 OT 78.1 109.47 -O PO4 OC 135.0 113.0 -O PO4 OS 135.0 113.0 -O PO4 OT 135.0 113.0 -OC PO4 OC 144.0 109.47 -OC PO4 OT 95.0 117.0 -OS PO4 OC 78.0 105.0 -OS PO4 OS 78.1 109.47 -OT PO4 OS 78.1 109.47 -OT PO4 OT 78.0 109.47 -C PT CT 29.0 120.0 -C PT NP 70.0 108.0 -C5R PT C5R 38.0 109.47 -C5R PT C6R 38.0 109.47 -C5R PT CT 38.0 109.47 -C6R PT C6R 65.0 103.5 -C6R PT CT 55.0 109.47 -C6R PT O 75.0 109.47 -C6R PT OS 55.0 109.47 -CH1E PT NP 55.0 109.47 -CH1E PT OC 55.0 109.47 -CH2E PT NP 55.0 109.47 -CH2E PT OC 55.0 109.47 -CH3E PT NP 55.0 109.47 -CT PT CT 35.0 99.0 -CT PT H 40.0 93.5 -CT PT MAL 30.0 95.0 -CT PT MRH 30.0 95.0 -CT PT MSI 30.0 92.0 -CT PT O 55.0 110.80 -CT PT OS 55.0 109.47 -CT PT OT 55.0 109.47 -CT PT PT 55.0 100.0 -CT PT SE 50.0 113.0 -CT PT SK 50.0 110.8 -CT PT XBR 35.0 113.0 -CT PT XCL 50.0 113.0 -CT PT XF 65.0 113.0 -CT PT XI 35.0 113.0 -CUA1 PT XCL 60.0 98.0 -CUA1 PT XF 60.0 93.0 -CUY1 PT CT 60.0 98.0 -CUY1 PT XCL 60.0 98.0 -CUY1 PT XF 60.0 98.0 -H PT H 55.0 93.0 -H PT PT 55.0 91.7 -MSE PT XF 45.0 110.0 -MSI PT MSI 36.0 90.5 -NP PT O 55.0 109.47 -NP PT OC 55.0 109.47 -NP PT OS 55.0 109.47 -NP PT SE 55.0 109.47 -NT PT CT 55.0 109.47 -NT PT NT 55.0 91.5 -NT PT O 55.0 109.47 -NT PT OS 55.0 91.5 -NT PT XCL 55.0 100.0 -NX PT C6R 60.0 120.0 -O PT O 135.0 110.0 -OC PT OC 55.0 109.47 -OC PT SE 55.0 109.47 -OE PT NT 55.0 90.5 -OE PT XCL 55.0 100.0 -OS PT O 75.0 110.0 -OS PT OS 55.0 109.47 -OS PT SK 75.0 109.47 -OS PT ST 55.0 109.47 -OS PT XCL 55.0 100.0 -OT PT O 75.0 110.0 -OT PT OT 78.1 109.47 -PT PT PT 55.0 109.47 -PT PT SE 55.0 109.47 -PT PT ST 55.0 109.47 -PT PT XF 55.0 95.0 -SE PT SE 55.0 100.5 -SE PT XBR 55.0 100.5 -SE PT XCL 55.0 100.5 -SE PT XF 55.0 107.50 -ST PT SK 75.0 109.47 -ST PT ST 55.0 109.47 -XBR PT XBR 50.0 100.0 -XCL PT XCL 50.0 100.0 -XF PT H 63.0 91.0 -XF PT XF 65.0 97.0 -XI PT XI 50.0 113.0 -C PUA1 CT 55.0 120.0 -C PUA1 PUA1 55.0 120.0 -C5R PUA1 CT 55.0 120.0 -C5R PUA1 PUA1 55.0 120.0 -C6R PUA1 C6R 55.0 120.0 -C6R PUA1 CT 55.0 120.0 -C6R PUA1 PUA1 55.0 120.0 -CT PUA1 CT 45.0 120.0 -CT PUA1 PUA1 45.0 120.0 -H PUA1 C 40.0 120.0 -H PUA1 NP 40.0 120.0 -HA PUA1 C 30.0 120.0 -HA PUA1 HA 30.0 120.0 -HA PUA1 PUA1 30.0 120.0 -NP PUA1 C 75.0 120.0 -C5R S5R C5R 90.0 98.0 -C5R S5R C5RE 70.0 106.0 -C5R S5R C5RP 90.0 98.0 -C5R S5R C5RQ 90.0 98.0 -C5R S5R CR55 90.0 98.0 -C5R S5R CR56 90.0 98.0 -C5R S5R N5R 90.0 98.0 -C5R S5R N5RP 90.0 98.0 -C5R S5R O5R 90.0 98.0 -C5RE S5R C5RE 65.0 106.0 -C5RE S5R CR55 65.0 106.0 -C5RE S5R CR56 65.0 106.0 -C5RP S5R C5RP 70.0 106.0 -C5RP S5R C5RQ 70.0 106.0 -C5RP S5R CR55 70.0 106.0 -C5RP S5R CR56 70.0 106.0 -CH1E S5R C5R 70.0 127.0 -CH1E S5R C5RE 70.0 127.0 -CH1E S5R C5RP 70.0 127.0 -CH1E S5R CR55 70.0 127.0 -CH1E S5R CR56 70.0 127.0 -CH1E S5R N5RP 70.0 127.0 -CH2E S5R C5R 70.0 127.0 -CH2E S5R C5RE 70.0 127.0 -CH2E S5R C5RP 70.0 127.0 -CH2E S5R CR55 70.0 127.0 -CH2E S5R CR56 70.0 127.0 -CH3E S5R C5R 70.0 127.0 -CH3E S5R C5RE 70.0 127.0 -CH3E S5R C5RP 70.0 127.0 -CH3E S5R CR55 70.0 127.0 -CH3E S5R CR56 70.0 127.0 -CR56 S5R CR56 90.0 108.0 -CR56 S5R O5R 90.0 98.0 -CT S5R C5R 70.0 127.0 -CT S5R C5RP 70.0 127.0 -CT S5R C5RQ 70.0 127.0 -CT S5R C6RE 70.0 127.0 -CT S5R CR55 70.0 127.0 -CT S5R CR56 70.0 127.0 -CT S5R N5R 70.0 127.0 -CT S5R N5RP 70.0 127.0 -CT S5R O5R 70.0 127.0 -H S5R C5R 30.0 127.0 -H S5R C5RE 30.0 127.0 -H S5R C5RP 30.0 127.0 -H S5R C5RQ 30.0 127.0 -H S5R CR55 30.0 127.0 -H S5R CR56 30.0 127.0 -H S5R N5R 30.0 127.0 -H S5R N5RP 30.0 127.0 -H S5R O5R 30.0 127.0 -FE S5R C5R 0.0 127.0 -N5R S5R N5R 70.0 98.0 -N5R S5R O5R 70.0 98.0 -O5R S5R O5R 70.0 98.0 -C S6R C 116.0 126.4 -C S6R C6R 116.0 125.3 -C S6R C6RE 116.0 125.3 -C S6R CH1E 70.0 117.6 -C S6R CH3E 70.0 120.0 -C S6R CT 70.0 120.0 -C S6R CUA1 70.0 120.0 -C S6R CUA2 70.0 120.0 -C S6R CUA3 70.0 120.0 -C S6R H 35.0 119.3 -C S6R S6R 116.0 125.3 -C S6R SO2 116.0 125.3 -C6R S6R C6R 70.0 120.0 -C6R S6R C6RE 70.0 120.0 -C6R S6R C6RP 90.0 120.0 -C6R S6R C6RQ 90.0 120.0 -C6R S6R CQ66 70.0 120.0 -C6R S6R CR56 70.0 120.0 -C6R S6R CR66 70.0 120.0 -C6RE S6R C6RE 65.0 120.0 -C6RE S6R CQ66 65.0 120.0 -C6RE S6R CR66 65.0 120.0 -CH1E S6R C6R 70.0 120.0 -CH1E S6R C6RE 70.0 120.0 -CH1E S6R CR56 70.0 120.0 -CH1E S6R CR66 70.0 120.0 -CH2E S6R C6R 70.0 120.0 -CH2E S6R C6RE 70.0 120.0 -CH2E S6R CR56 70.0 120.0 -CH2E S6R CR66 70.0 120.0 -CH3E S6R C6R 70.0 120.0 -CH3E S6R C6RE 70.0 120.0 -CH3E S6R CR56 70.0 120.0 -CH3E S6R CR66 70.0 120.0 -CR56 S6R C6RE 70.0 111.0 -CR66 S6R CR66 70.0 120.0 -CT S6R C6R 70.0 120.0 -CT S6R C6RE 70.0 120.0 -CT S6R CQ66 70.0 120.0 -CT S6R CR56 70.0 120.0 -CT S6R CR66 70.0 120.0 -CT S6R CS66 70.0 120.0 -CT S6R CUA1 70.0 120.0 -CT S6R CUA2 70.0 120.0 -CT S6R CUA3 70.0 120.0 -B SE B 65.0 96.9 -B SE SE 65.0 100.0 -C SE C 75.0 98.0 -C SE C6R 75.0 98.0 -C SE CT 75.0 98.0 -C SE CUA1 75.0 98.0 -C5R SE C5R 75.0 98.0 -C5R SE C6R 75.0 98.0 -C6R SE C6R 75.0 104.0 -C6R SE CUA1 75.0 104.0 -C6R SE CUA2 75.0 104.0 -C6R SE CUA3 75.0 104.0 -C6R SE OE 75.0 105.0 -CF1 SE CT 50.0 99.5 -CF2 SE CT 50.0 99.5 -CF3 SE CT 50.0 99.5 -CH1E SE C5R 75.0 98.0 -CH1E SE C6R 75.0 98.0 -CH1E SE CH1E 75.0 98.0 -CH1E SE CH2E 75.0 98.0 -CH1E SE CH3E 75.0 98.0 -CH1E SE CT 75.0 98.0 -CH2E SE C5R 75.0 98.0 -CH2E SE C6R 75.0 98.0 -CH2E SE CH2E 75.0 98.0 -CH2E SE CH3E 75.0 98.0 -CH2E SE CT 75.0 98.0 -CH3E SE C5R 75.0 98.0 -CH3E SE C6R 75.0 98.0 -CH3E SE CH3E 75.0 98.0 -CH3E SE CT 75.0 98.0 -CT SE C5R 75.0 98.0 -CT SE C6R 75.0 98.0 -CT SE CT 75.0 98.0 -CT SE CT4 75.0 98.0 -CT SE CUA1 75.0 102.0 -CT SE CUA2 75.0 102.0 -CT SE CUA3 75.0 98.0 -CT SE CUY1 75.0 102.0 -CT SE PT 75.0 98.0 -CT4 SE CUA1 50.0 98.0 -CUA1 SE CUA1 75.0 98.0 -CUA1 SE CUA2 75.0 98.0 -CUA1 SE CUA3 75.0 98.0 -CUA1 SE SE 75.0 98.0 -H SE C6R 50.0 109.47 -H SE CT 50.0 109.47 -MAS SE MAS 50.0 96.5 -MGE SE MGE 35.0 96.5 -MSI SE MSI 26.0 97.4 -N SE N 75.0 100.0 -SE SE SE 35.0 117.5 -PT SE PT 50.0 98.0 -C5R SO1 C5R 30.0 96.0 -C5R SO1 C6R 30.0 96.0 -C5R SO1 O 66.0 107.0 -C6R SO1 C6R 30.0 100.0 -C6R SO1 H 30.0 115.0 -C6R SO1 NP 30.0 97.0 -C6R SO1 O 66.0 105.0 -CH1E SO1 C5R 30.0 96.0 -CH1E SO1 C6R 30.0 96.0 -CH1E SO1 CH1E 30.0 96.0 -CH1E SO1 CH2E 30.0 96.0 -CH1E SO1 CH3E 30.0 96.0 -CH1E SO1 CT 30.0 96.0 -CH1E SO1 O 66.0 107.0 -CH2E SO1 C5R 30.0 96.0 -CH2E SO1 C6R 30.0 96.0 -CH2E SO1 CH2E 30.0 96.0 -CH2E SO1 CH3E 30.0 96.0 -CH2E SO1 CT 30.0 96.0 -CH2E SO1 O 66.0 107.0 -CH3E SO1 C5R 30.0 96.0 -CH3E SO1 C6R 30.0 96.0 -CH3E SO1 CH3E 30.0 96.0 -CH3E SO1 CT 30.0 96.0 -CH3E SO1 O 66.0 107.0 -CR66 SO1 CR66 70.0 115.0 -CR66 SO1 O 70.0 115.0 -CT SO1 C5R 30.0 96.0 -CT SO1 C6R 30.0 96.0 -CT SO1 CT 30.0 96.0 -CT SO1 O 66.0 107.0 -NP SO1 O 75.0 105.5 -H SO1 CR66 50.0 115.0 -H SO1 O 50.0 109.47 -C SO2 N5R 70.0 108.5 -C SO2 N6R 70.0 108.5 -C SO2 NC 70.0 108.5 -C SO2 NP 70.0 108.5 -C SO2 NT 70.0 108.5 -C SO2 O 70.0 108.5 -C5R SO2 C5R 21.0 103.0 -C5R SO2 C6R 21.0 103.0 -C5R SO2 N5R 70.0 108.5 -C5R SO2 N6R 70.0 108.5 -C5R SO2 NC 70.0 108.5 -C5R SO2 NP 70.0 108.5 -C5R SO2 NT 70.0 108.5 -C5R SO2 O 69.0 109.0 -C6R SO2 C6R 21.0 103.0 -C6R SO2 N 70.0 106.0 -C6R SO2 N5R 70.0 108.5 -C6R SO2 N6R 70.0 120.0 -C6R SO2 NC 70.0 108.5 -C6R SO2 NP 70.0 106.0 -C6R SO2 NT 70.0 107.0 -C6R SO2 O 69.0 109.0 -CH1E SO2 C5R 21.0 103.0 -CH1E SO2 C6R 21.0 103.0 -CH1E SO2 CH1E 21.0 103.0 -CH1E SO2 CH2E 21.0 103.0 -CH1E SO2 CH3E 21.0 103.0 -CH1E SO2 CT 21.0 103.0 -CH1E SO2 N5R 70.0 108.5 -CH1E SO2 N6R 70.0 108.5 -CH1E SO2 NC 70.0 108.5 -CH1E SO2 NP 70.0 108.5 -CH1E SO2 NT 70.0 108.5 -CH1E SO2 O 69.0 109.0 -CH2E SO2 C5R 21.0 103.0 -CH2E SO2 C6R 21.0 103.0 -CH2E SO2 CH2E 21.0 103.0 -CH2E SO2 CH3E 21.0 103.0 -CH2E SO2 CT 21.0 103.0 -CH2E SO2 N5R 70.0 108.5 -CH2E SO2 N6R 70.0 108.5 -CH2E SO2 NC 70.0 108.5 -CH2E SO2 NP 70.0 108.5 -CH2E SO2 NT 70.0 108.5 -CH2E SO2 O 69.0 109.0 -CH3E SO2 C5R 21.0 103.0 -CH3E SO2 C6R 21.0 103.0 -CH3E SO2 CH3E 21.0 103.0 -CH3E SO2 CT 21.0 103.0 -CH3E SO2 N5R 70.0 108.5 -CH3E SO2 N6R 70.0 108.5 -CH3E SO2 NC 70.0 108.5 -CH3E SO2 NP 70.0 108.5 -CH3E SO2 NT 70.0 108.5 -CH3E SO2 O 69.0 109.0 -CT SO2 C5R 21.0 103.0 -CT SO2 C6R 21.0 103.0 -CT SO2 CT 21.0 103.0 -CT SO2 CUA1 70.0 109.0 -CT SO2 CUA2 70.0 109.0 -CT SO2 CUA3 70.0 109.0 -CT SO2 N5R 70.0 108.5 -CT SO2 N6R 70.0 108.5 -CT SO2 NC 70.0 108.5 -CT SO2 NP 70.0 108.5 -CT SO2 NT 75.0 107.0 -CT SO2 O 69.0 110.5 -CUA1 SO2 NT 70.0 103.0 -CUA1 SO2 O 69.0 109.0 -CUA2 SO2 NT 70.0 103.0 -CUA2 SO2 O 69.0 109.0 -N SO2 O 75.0 107.5 -N5R SO2 O 75.0 107.5 -N6R SO2 O 75.0 107.5 -NC SO2 O 78.0 104.5 -NP SO2 O 75.0 107.5 -NT SO2 NP 75.0 108.5 -NT SO2 NT 70.0 108.5 -NT SO2 O 78.0 104.5 -O SO2 O 118.0 119.5 -C5R SO3 O 69.0 109.0 -C5R SO3 OT 55.0 109.0 -C6R SO3 O 69.0 109.0 -C6R SO3 OC 55.0 109.0 -C6R SO3 OE 55.0 109.0 -C6R SO3 OT 55.0 109.0 -CH1E SO3 O 69.0 109.0 -CH2E SO3 O 69.0 109.0 -CH3E SO3 O 69.0 109.0 -CT SO3 O 69.0 109.0 -CT SO3 OC 55.0 109.0 -CT SO3 OE 55.0 109.0 -CT SO3 OT 55.0 109.0 -CUA1 SO3 O 69.0 109.0 -CUA1 SO3 OT 55.0 109.0 -CUA2 SO3 O 69.0 109.0 -CUA2 SO3 OT 55.0 109.0 -NP SO3 O 75.0 107.5 -NP SO3 OT 55.0 109.0 -NX SO3 O 75.0 109.0 -NX SO3 OT 75.0 109.0 -O SO3 NT 78.0 107.5 -O SO3 O 118.0 118.0 -O SO3 OC 75.0 109.0 -O SO3 OE 75.0 109.0 -O SO3 OT 75.0 109.0 -OC SO3 OC 75.0 109.0 -OT SO3 NT 55.0 109.0 -OT SO3 OT 55.0 109.0 -O SO4 O 118.0 124.0 -O SO4 OC 75.0 108.0 -O SO4 OE 75.0 109.0 -O SO4 OS 135.0 109.47 -O SO4 OT 75.0 109.0 -OC SO4 OC 75.0 108.0 -OC SO4 OE 75.0 108.0 -OC SO4 OT 95.0 109.47 -OS SO4 OC 78.0 108.0 -OS SO4 OS 48.1 102.6 -OT SO4 OE 55.0 109.0 -OT SO4 OS 48.1 102.6 -OT SO4 OT 78.0 101.5 -C6R ST ST 50.0 104.2 -CF1 ST CT 50.0 95.0 -CF2 ST CT 50.0 95.0 -CF2 ST XF 15.0 90.0 -CF3 ST CT 50.0 95.0 -CH1E ST CH1E 50.0 99.5 -CH1E ST CH2E 50.0 99.5 -CH1E ST CH3E 50.0 99.5 -CH1E ST CT 50.0 99.5 -CH1E ST ST 50.0 104.2 -CH2E ST CH2E 50.0 99.5 -CH2E ST CH3E 50.0 99.5 -CH2E ST CT 50.0 99.5 -CH2E ST ST 50.0 104.2 -CH3E ST ST 50.0 104.2 -CT ST CT 50.0 99.5 -CT ST FE 50.0 100.5 -CT ST PT 73.0 103.0 -CT ST ST 53.0 103.0 -CUA1 ST ST 50.0 103.0 -CUA2 ST ST 50.0 103.0 -H ST CT 50.0 109.47 -H ST CT4 50.0 109.47 -H ST H 55.0 92.1 -OC ST OC 85.0 109.47 -PT ST PT 50.0 98.0 -ST ST PT 50.0 99.5 -XF ST XF 85.0 90.0 -C6R MAL NT 35.0 109.47 -CT MAL CT 50.0 122.00 -CT MAL CUY1 30.0 109.47 -CT MAL HA 30.0 120.00 -CT MAL MAL 30.0 120.0 -CT MAL NT 30.0 102.3 -CT MAL OE 30.0 95.0 -CT MAL OS 30.0 98.7 -CT MAL PT 40.0 95.0 -HA MAL HA 30.0 120.0 -NT MAL NT 50.0 109.47 -OE MAL OE 40.0 120.0 -OS MAL OS 155.0 109.47 -OS MAL OT 155.0 109.47 -OSH MAL OSH 48.150 109.47 -OT MAL OT 155.0 109.47 -XCL MAL XCL 40.0 120.0 -XF MAL XF 60.0 120.0 -MAS MAS SE 35.0 109.47 -MSI MAS MSI 30.0 93.8 -OE MAS C6R 100.0 109.47 -OE MAS CT 85.0 109.47 -OE MAS OE 125.0 109.47 -OS MAS C6R 100.0 109.47 -OS MAS CT 85.0 109.47 -OS MAS OE 125.0 109.47 -OS MAS OS 125.0 109.47 -OS MAS OT 125.0 109.47 -OT MAS C6R 100.0 109.47 -OT MAS OT 125.0 109.47 -SE MAS SE 35.0 109.47 -C5R MBE C5R 10.0 50.0 -C5R MBE CT 30.0 149.7 -CT MBE CT 30.0 180.0 -C MCO C 35.0 90.0 -C MCO CM 35.0 90.0 -C4 MCO C4 35.0 90.0 -C4 MCO CM 35.0 109.47 -C4 MCO MCO 35.0 45.0 -CM MCO CM 25.0 109.47 -CM MCO MCO 25.0 109.47 -CM MCR CM 5.0 109.47 -XCL MCR XCL 60.0 113.3 -XF MCR XF 60.0 111.9 -NP MCU NP 85.0 88.4 -NP MCU NT 85.0 88.4 -NT MCU XCL 30.0 90.0 -O MCU NP 125.0 88.4 -O MCU OE 125.0 88.4 -O MCU XCL 55.0 90.0 -OE MCU NP 125.0 88.4 -OE MCU NT 125.0 88.4 -OE MCU OE 125.0 88.4 -OE MCU XCL 55.0 90.0 -XCL MCU XCL 15.0 160.0 -CM FE CM 5.0 90.0 -HA FE CM 5.0 90.0 -HA FE HA 30.0 100.0 -N5R FE N5R 10.0 90.0 -OE FE OE 0.0 90.0 -ST FE ST 50.0 105.0 -CT MGE CT 30.0 109.47 -OSH MGE OSH 48.150 109.47 -SE MGE SE 35.0 109.47 -SE MGE XBR 35.0 109.47 -C5R MMG CT 30.0 149.7 -CT MMG CT 30.0 180.0 -XCL MNI XCL 75.0 180.0 -XCL MPD XCL 57.0 180.0 -XCL MPT XCL 75.0 180.0 -C5R MSE CF1 35.0 98.5 -C5R MSE CF2 35.0 98.5 -C5R MSE CF3 35.0 98.5 -C5R MSE CT 35.0 98.5 -C5R MSE CUA1 35.0 98.5 -C5R MSE CUA2 35.0 98.5 -C5R MSE XBR 35.0 98.5 -C5R MSE XF 35.0 98.5 -C6R MSE CT 50.0 98.5 -C6R MSE NT 35.0 98.5 -C6R MSE XBR 35.0 98.5 -C6R MSE XF 35.0 98.5 -CT MSE CT 50.0 95.0 -CT MSE CUA1 50.0 95.0 -CT MSE CUA2 50.0 95.0 -CT MSE CUY1 50.0 98.5 -CT MSE NP 50.0 104.3 -CUA1 MSE CUA1 35.0 95.0 -CUA1 MSE CUA2 35.0 94.5 -H MSE C5R 35.0 98.0 -H MSE C6R 35.0 98.0 -H MSE CF1 35.0 98.0 -H MSE CF2 35.0 98.0 -H MSE CF3 35.0 98.0 -H MSE CT 35.0 98.0 -H MSE CUA1 35.0 98.0 -H MSE CUA2 35.0 98.0 -H MSE CUY1 35.0 98.0 -H MSE MSE 35.0 98.0 -H MSE NP 35.0 98.0 -H MSE NT 35.0 98.0 -MSE MSE CF1 35.0 98.0 -MSE MSE CF2 35.0 98.0 -MSE MSE CF3 35.0 98.0 -MSE MSE CT 35.0 98.0 -MSE MSE CUA1 35.0 98.0 -MSE MSE MSI 35.0 95.0 -MSE MSE PT 35.0 95.0 -O MSE XF 55.0 92.0 -OE MSE XF 85.0 94.1 -XF MSE XF 60.0 94.1 -CH3E MSI CH3E 79.0 114.0 -CH3E MSI HA 35.0 109.47 -CH3E MSI OE 50.0 114.0 -CH3E MSI OSI 50.0 114.0 -CH3E MSI OT 50.0 114.0 -CT MSI C6R 50.0 109.47 -CT MSI CT 79.0 113.0 -CT MSI CUY1 70.0 109.47 -CT MSI HA 30.0 111.20 -CT MSI NT 50.0 109.47 -CT MSI XCL 50.0 109.47 -HA MSI C6R 30.0 109.47 -HA MSI HA 27.5 108.60 -HA MSI MSIU 30.0 109.47 -HA MSI NT 30.0 109.47 -HA MSI O2M 30.0 109.47 -HA MSI OSI 30.0 109.47 -HA MSI OT 27.5 109.47 -HA MSI PT 30.0 109.47 -MSI MSI CT 61.0 109.47 -MSI MSI HA 30.0 109.47 -MSI MSI MSI 45.0 109.47 -MSI MSI OE 50.0 106.0 -MSI MSI OS 50.0 106.0 -MSI MSI OSH 0.0 0.0 -MSI MSI OSI 50.0 106.0 -O2M MSI O2M 0.0 0.0 -O2M MSI OSH 0.0 0.0 -OE MSI CT 85.0 109.47 -OE MSI HA 50.0 109.47 -OE MSI O2M 67.0 107.0 -OE MSI OE 67.0 109.47 -OE MSI OSI 67.0 107.00 -OE MSI OT 67.0 109.47 -OS MSI CT 85.0 109.47 -OS MSI HA 50.0 109.90 -OS MSI O2M 67.0 109.47 -OS MSI OS 67.0 109.47 -OS MSI OT 67.0 109.47 -OSH MSI OSH 48.150 109.47 -OSI MSI CT 85.0 105.47 -OSI MSI OSI 127.0 109.47 -OT MSI CT 85.0 109.47 -OT MSI OSI 127.0 109.47 -OT MSI OT 127.0 109.47 -XCL MSI XCL 55.0 109.47 -CT MSIU CT 50.0 114.0 -CT MSIU CUA1 50.0 123.0 -CT MSIU HA 35.0 120.0 -CT MSIU MSI 50.0 120.0 -CUA1 MSIU HA 35.0 120.0 -CUA1 MSIU MSI 65.0 119.0 -MSI MSIU MSI 50.0 122.0 -OSH MTI OSH 48.150 109.47 -XCL MV XCL 50.0 111.3 -XF MV XF 60.0 111.2 -CM MW CM 5.0 90.0 -C5R MZN CT 30.0 149.7 -XCL MZR XCL 50.0 116.6 -PHI ! TORSIONS (DIHEDRAL ANGLES); torsions (dihedral angles) -X FE NP X 0.05 4 0.0!added by gwo -X SH1E FE X 0.0 4 0.0!Added 5-13-02 by Karl Clodfelter from 1bu7a -CH1E C N CH1E 10.0 2 180.0! PRO ISOM. BARRIER 20 KCAL/MOL. -CH2E C N CH1E 10.0 2 180.0 -CR1E C C CR1E 5.0 2 180.0! => TRP OOP. VIB 170CM 1 -CR1E C C C 2.5 2 180.0! SEE BEHLEN ET AL JCP 75:5685 81 -CR1E C C NH1 2.5 2 180.0 -X C CR1E X 10.0 2 180.0! DIHEDRAL PER BOND RATHER -X C NC2 X 8.2 2 180.0! 1.6 FROM 1.8 TO COINCIDE WITH -X C NH1 X 8.2 2 180.0! THE EXPERIMENTAL BARRIER. -X C NH2 X 8.2 2 180.0 -X C OH1 X 1.8 2 180.0 -X CH1E N X 0.3 3 0.0! FROM HAGLER ET AL TABULATION OF -X CH1E NH1 X 0.3 3 0.0! EXP. DATA AND 6 31G CALC. -X CH1E NH2 X 1.8 3 0.0! PROTONATED SECONDARY AMINE -X CH1E NH3 X 0.6 3 0.0! 1/PROTON SO 3 FOR THE BOND -X CH1E OH1 X 0.5 3 0.0! CHANGED TO ROUGHLY MEOH -X CH2E N X 0.3 3 0.0! SEE CH1E COMMENTS -X CH2E NH1 X 0.3 3 0.0 -X CH2E NH2 X 0.6 3 0.0 -X CH2E NH3 X 0.6 3 0.0 -X CH2E OH1 X 0.5 3 0.0 -X CH2E S X 1.2 2 0.0 -X CT NC2 X 0.3 3 0.0 -X CT NH1 X 0.3 3 0.0 -X CT NH2 X 0.6 3 0.0 -X CT NH3 X 0.6 3 0.0 -X CT OH1 X 0.5 3 0.0 -X CT S X 1.2 2 0.0 -X FE NR X 0.05 4 0.0 -X FE CM X 0.05 4 0.0 -X FE OM X 0.00 4 0.0 -X S S X 4.0 2 0.0! FROM EXP. NMR BARRIER -H B HMU B 0.5 4 180.0 -HMU B HMU B 0.5 2 0.0 -X B CT X 0.5 3 0.0 -X B OE X 0.5 3 0.0 -X B OT X 0.5 3 0.0 -X B SE X 2.0 2 0.0 -C C CT HA 0.12 2 180.0 -C C NP CT4 2.6 2 180.0 -C C NP H 2.6 2 180.0 -C6R C NP C 2.6 2 180.0 -C6R C NP C6R 2.6 2 180.0 -C6R C NP CT 2.6 2 180.0 -C6R C NP H 2.6 2 180.0 -CH1E C NP CH1E 2.6 2 180.0 -CH1E C NP CH2E 2.6 2 180.0 -CH1E C NP H 0.8 1 180.0 -CH2E C NP CH1E 2.6 2 180.0 -CH2E C NP CH2E 2.6 2 180.0 -CH2E C NP H 0.8 1 180.0 -CH3E C NP CH1E 2.6 2 180.0 -CH3E C NP CH2E 2.6 2 180.0 -CH3E C NP CH3E 2.6 2 180.0 -CH3E C NP H 0.8 1 180.0 -CT C C OT 1.7 2 180.0 -CT C CT HA 0.16 2 180.0 -CT C NP C 2.6 2 180.0 -CT C NP C6R 2.6 2 180.0 -CT C NP CT 2.6 2 180.0 -CT C NP CUA1 2.6 2 180.0 -CT C NP H 1.19 1 180.0 -CT C NP NP 2.6 2 180.0 -CT C OS CT 0.49 1 0.0 -CT C OS CT 2.65 2 180.0 -HA C CT CT 0.00 1 180.0 -HA C NP CT 1.05 1 0.0 -HA C NP H 2.6 2 180.0 -HA C NP NP 2.6 2 180.0 -N6R C NP C 2.6 2 180.0 -N6R C NP H 2.6 2 180.0 -NC C NP CH2E 2.6 2 180.0 -NC C NP CT 2.6 2 180.0 -NC C NP H 2.6 2 180.0 -NP C CH1E NP 0.35 2 180.0 -NP C CT NP 0.25 3 180.0 -NP C CT NX 2.50 3 180.0 -NP C NP CT 2.6 2 180.0 -NP C NP H 2.6 2 180.0 -NX C NP C 2.6 2 180.0 -NX C NP H 2.6 2 180.0 -O C C6R C6R 1.3 2 180.0 -O C C6RE C6RE 1.3 2 180.0 -O C CUA1 CUA1 1.5 1 0.0 -O C CUA2 CUA2 1.5 1 0.0 -O C NP C 2.6 2 180.0 -O C NP C6R 2.6 2 180.0 -O C NP CH1E 2.6 2 180.0 -O C NP CH2E 2.6 2 180.0 -O C NP CH3E 2.6 2 180.0 -O C NP CT 2.6 2 180.0 -O C NP CT4 2.6 2 180.0 -O C NP CUA1 2.6 2 180.0 -O C NP H 2.6 2 180.0 -OA C CT CT 0.26 1 0.0 -OA C CT CT 1.70 3 180.0 -OA C CT HA 0.30 3 180.0 -OA C CUA1 CUA1 2.2 1 0.0 -OA C CUA2 CUA2 1.8 1 0.0 -OAC C CT CT 0.40 3 180.0 -OAC C OS CT 0.27 1 0.0 -OAC C OS CT 2.65 2 180.0 -OAC C OT H 0.03 1 180.0 -OK C CT CT 0.55 1 180.0 -OK C CT CT 0.25 4 180.0 -OK C CUA1 CUA1 0.8 1 0.0 -OS C NP CT 2.6 2 180.0 -OS C NP H 2.6 2 180.0 -OT C CT CT 0.60 1 0.0 -OT C CT HA 0.05 3 0.0 -X C C X 0.5 2 180.0 -X C C5R X 2.5 2 180.0 -X C C5RP X 2.3 2 180.0 -X C C5RQ X 2.3 2 180.0 -X C C6R X 0.5 2 180.0 -X C C6RE X 1.5 2 180.0 -X C C6RP X 2.3 2 180.0 -X C CF1 X 0.10 3 180.0 -X C CF2 X 0.10 3 180.0 -X C CF3 X 0.02 3 180.0 -X C CH1E X 0.10 3 180.0 -X C CH2E X 0.10 3 180.0 -X C CR56 X 2.05 2 180.0 -X C CR66 X 2.05 2 180.0 -X C CT X 0.05 3 180.0 -X C CT3 X 0.05 3 180.0 -X C CT4 X 0.05 3 180.0 -X C CUA1 X 0.9 2 180.0 -X C CUA2 X 0.9 2 180.0 -X C CUY1 X 0.7 2 180.0 -X C CUY2 X 0.7 2 180.0 -X C MCO X 0.15 3 0.0 -X C N X 2.05 2 180.0 -X C N5R X 2.05 2 180.0 -X C N6R X 2.05 2 180.0 -X C NC X 2.05 2 180.0 -X C NO2 X 0.25 2 180.0 -X C NP X 2.6 2 180.0 -X C NT X 0.16 2 0.0 -X C NX X 2.6 2 180.0 -X C O5R X 2.05 2 180.0 -X C OE X 2.0 2 180.0 -X C OS X 2.5 2 180.0 -X C OT X 1.20 2 180.0 -X C PUA1 X 1.00 2 180.0 -X C S5R X 4.1 2 180.0 -X C S6R X 2.05 2 180.0 -X C SE X 2.0 2 180.0 -X C SO2 X 0.6 3 0.0 -X C3 CT3 X 0.5 2 180.0 -X C3 CUA1 X 0.5 2 180.0 -X C4 CT4 X 0.5 2 180.0 -X C4 CUA1 X 0.5 2 180.0 -X C4 MCO X 0.15 3 0.0 -X C4 NX X 2.6 2 180.0 -C5R C5R C5R C5R 3.1 2 180.0 -C5R C5R C5R HA 3.5 2 180.0 -HA C5R C5R HA 2.5 2 180.0 -X C5R C5R X 3.1 2 180.0 -X C5R C5RE X 3.1 2 180.0 -X C5R C5RP X 3.1 2 180.0 -X C5R C5RQ X 3.1 2 180.0 -X C5R CR55 X 3.1 2 180.0 -X C5R CR56 X 3.1 2 180.0 -X C5R MBE X 0.02 5 60.0 -X C5R MSE X 0.1 2 180.0 -X C5R N X 2.75 2 180.0 -X C5R N5R X 2.05 2 180.0 -X C5R N5RP X 2.05 2 180.0 -X C5R NC X 2.05 2 180.0 -X C5R NO2 X 1.15 2 180.0 -X C5R NP X 2.05 2 180.0 -X C5R NR55 X 3.1 2 180.0 -X C5R NR56 X 3.1 2 180.0 -X C5R NT X 0.1 3 0.0 -X C5R NX X 0.45 2 180.0 -X C5R O5R X 2.05 2 180.0 -X C5R OE X 1.5 2 180.0 -X C5R OS X 1.5 2 180.0 -X C5R OT X 0.5 2 180.0 -X C5R PUA1 X 0.5 2 180.0 -X C5R S5R X 2.05 2 180.0 -X C5R SE X 0.4 3 0.0 -X C5R SO1 X 0.5 3 0.0 -X C5R SO2 X 0.6 3 0.0 -X C5R SO4 X 0.1 3 0.0 -X C5RE N5R X 1.12 2 180.0 -N5R C5RP C6RP C6R 0.04 2 180.0 -S5R C5RP C6RP C6R 0.04 2 180.0 -X C5RP C5RP X 0.20 2 180.0 -X C5RP C6RP X 0.80 2 180.0 -X C5RP N5R X 2.05 2 180.0 -X C5RP N5RP X 0.80 2 180.0 -X C5RP O5R X 2.05 2 180.0 -X C5RP S5R X 2.05 2 180.0 -X C5RQ C5RQ X 1.12 2 180.0 -X C5RQ C6RP X 1.12 2 180.0 -X C5RQ N5R X 2.05 2 180.0 -X C5RQ O5R X 2.05 2 180.0 -X C5RQ S5R X 2.05 2 180.0 -C6R C6R C6R C6R 2.8 2 180.0 -C6R C6R C6R HA 3.0 2 180.0 -HA C6R C6R HA 2.5 2 180.0 -X C6R C6R X 3.1 2 180.0 -X C6R C6RE X 3.1 2 180.0 -X C6R C6RP X 3.1 2 180.0 -X C6RE C6RP X 3.1 2 180.0 -X C6R C6RQ X 3.1 2 180.0 -X C6R CQ66 X 3.1 2 180.0 -X C6R CR56 X 3.1 2 180.0 -X C6R CR66 X 3.1 2 180.0 -X C6R CS66 X 3.1 2 180.0 -X C6R CT3 X 0.1 3 0.0 -X C6R MAL X 0.15 3 0.0 -X C6R MSE X 0.1 2 180.0 -X C6R MSI X 0.16 2 0.0 -X C6R N X 1.00 2 180.0 -X C6R N5R X 2.05 2 180.0 -X C6R N6R X 2.05 2 180.0 -X C6R N6RP X 2.05 2 180.0 -X C6R NC X 2.05 2 180.0 -X C6R NO2 X 1.12 2 180.0 -X C6R NP X 0.5 2 180.0 -X C6R NR56 X 3.1 2 180.0 -X C6R NR66 X 3.1 2 180.0 -X C6R NT X 0.1 3 0.0 -X C6R NX X 0.45 2 180.0 -X C6R O6R X 3.1 2 180.0 -X C6R OE X 1.4 2 180.0 -X C6R OS X 0.5 2 180.0 -X C6R OT X 0.5 2 180.0 -X C6R P6R X 3.1 2 180.0 -X C6R PO3 X 0.5 3 0.0 -X C6R PT X 0.5 3 0.0 -X C6R PUA1 X 0.5 2 180.0 -X C6R S6R X 2.05 2 180.0 -X C6R SE X 0.4 3 0.0 -X C6R SO1 X 0.5 3 0.0 -X C6R SO2 X 0.6 3 0.0 -X C6R SO3 X 0.6 3 0.0 -X C6R SO4 X 0.1 3 0.0 -X C6R ST X 0.4 3 0.0 -X C6RE C6RE X 0.6 2 180.0 -X C6RE CR56 X 3.1 2 180.0 -X C6RE CR66 X 3.1 2 180.0 -X C6RE N6R X 3.1 2 180.0 -X C6RE NR56 X 3.1 2 180.0 -X C6RE NR66 X 3.1 2 180.0 -X C6RE O6R X 3.1 2 180.0 -C6RE C6RP C6RP C6RE 0.65 2 180.0 -X C6RP C6RP X 0.8 2 180.0 -X C6RP C6RQ X 3.1 2 180.0 -X C6RP CR66 X 3.1 2 180.0 -X C6RP N5RP X 0.8 2 180.0 -X C6RP N6R X 3.1 2 180.0 -X C6RP N6RP X 0.8 2 180.0 -X C6RP NR56 X 3.1 2 180.0 -X C6RP O6R X 3.1 2 180.0 -X C6RP OC X 5.0 2 180.0 -X C6RP OE X 1.0 2 180.0 -X C6RP OS X 1.0 2 180.0 -X C6RP P6R X 3.1 2 180.0 -X C6RP S6R X 2.5 2 180.0 -X C6RQ C6RQ X 0.8 2 180.0 -X C6RQ N6R X 3.1 2 180.0 -X C6RQ N6RP X 3.1 2 180.0 -CT CF1 OE CT 0.35 1 0.0 -CT CF1 OE CT 1.3 3 0.0 -CT CF1 OT HO 0.10 1 180.0 -HA CF1 OT HO 0.12 3 0.0 -OE CF1 OE CT 1.0 1 180.0 -XF CF1 CF1 XF 1.9 1 180.0 -XF CF1 CT CT 0.25 1 0.0 -X CF1 CF1 X 0.15 3 0.0 -X CF1 CF2 X 0.15 3 0.0 -X CF1 CF3 X 0.15 3 0.0 -X CF1 CT X 0.13 3 0.0 -X CF1 CUA1 X 0.35 3 0.0 -X CF1 CUA2 X 0.35 3 0.0 -X CF1 CUY1 X 0.10 3 0.0 -X CF1 N X 0.10 3 0.0 -X CF1 NP X 0.25 3 0.0 -X CF1 NT X 0.13 3 0.0 -X CF1 OE X 0.27 3 0.0 -X CF1 OS X 0.33 3 0.0 -X CF1 OT X 0.53 3 0.0 -X CF1 PO3 X 0.03 3 0.0 -X CF1 PT X 0.16 3 0.0 -X CF1 PUA1 X 0.1 3 0.0 -X CF1 SE X 0.27 3 0.0 -X CF1 SO1 X 0.33 3 0.0 -X CF1 SO2 X 0.4 3 0.0 -X CF1 SO3 X 0.4 3 0.0 -X CF1 ST X 0.12 3 0.0 -CT CF2 OE CT 0.35 1 0.0 -CT CF2 OE CT 1.3 3 0.0 -CT CF2 OT HO 0.10 1 180.0 -HA CF2 OT HO 0.12 3 0.0 -OE CF2 OE CT 1.0 1 180.0 -X CF2 CF2 X 0.15 3 0.0 -X CF2 CF3 X 0.15 3 0.0 -X CF2 CT X 0.15 3 0.0 -X CF2 CUA1 X 0.35 3 0.0 -X CF2 CUA2 X 0.35 3 0.0 -X CF2 CUY1 X 0.10 3 0.0 -X CF2 N X 0.10 3 0.0 -X CF2 NP X 0.25 3 0.0 -X CF2 NT X 0.13 3 0.0 -X CF2 OE X 0.27 3 0.0 -X CF2 OS X 0.33 3 0.0 -X CF2 OT X 0.53 3 0.0 -X CF2 PO3 X 0.03 3 0.0 -X CF2 PT X 0.16 3 0.0 -X CF2 PUA1 X 0.1 3 0.0 -X CF2 SE X 0.27 3 0.0 -X CF2 SO1 X 0.33 3 0.0 -X CF2 SO2 X 0.4 3 0.0 -X CF2 SO3 X 0.4 3 0.0 -X CF2 ST X 0.12 3 0.0 -X CF3 CF3 X 0.01 3 0.0 -X CF3 CT X 0.12 3 0.0 -X CF3 CUA1 X 0.35 3 0.0 -X CF3 CUA2 X 0.35 3 0.0 -X CF3 CUY1 X 0.10 3 0.0 -X CF3 N X 0.10 3 0.0 -X CF3 NP X 0.25 3 0.0 -X CF3 NT X 0.13 3 0.0 -X CF3 OE X 0.15 3 0.0 -X CF3 SE X 0.12 3 0.0 -X CF3 ST X 0.12 3 0.0 -X CH1E C5R X 0.5 3 0.0 -X CH1E C6R X 0.5 3 0.0 -X CH1E CH1E X 0.4 3 0.0 -X CH1E CH2E X 0.6 3 0.0 -X CH1E CT X 0.28 3 0.0 -X CH1E CUA1 X 0.25 3 0.0 -X CH1E CUA2 X 0.25 3 0.0 -X CH1E CUY1 X 0.1 3 0.0 -X CH1E N5R X 0.08 3 0.0 -X CH1E N6R X 0.08 3 0.0 -X CH1E NO2 X 0.05 3 0.0 -X CH1E NP X 0.17 3 0.0 -X CH1E NT X 0.1 3 0.0 -X CH1E NX X 0.08 3 0.0 -X CH1E OE X 0.65 3 0.0 -X CH1E OS X 0.5 3 0.0 -X CH1E OT X 0.25 3 0.0 -X CH1E PT X 0.16 3 0.0 -X CH1E SE X 0.4 3 0.0 -X CH1E SO1 X 0.5 3 0.0 -X CH1E SO2 X 0.6 3 0.0 -X CH1E ST X 0.2 3 0.0 -X CH2E C5R X 0.1 3 0.0 -X CH2E C6R X 0.1 3 0.0 -X CH2E CH2E X 1.6 3 0.0 -X CH2E CT X 1.6 3 0.0 -X CH2E CUA1 X 0.35 3 0.0 -X CH2E CUA2 X 0.35 3 0.0 -X CH2E CUY1 X 0.1 3 0.0 -X CH2E N6R X 0.35 3 0.0 -X CH2E NO2 X 0.6 3 0.0 -X CH2E NP X 0.35 3 0.0 -X CH2E NT X 0.2 3 0.0 -X CH2E NX X 0.15 3 0.0 -X CH2E OE X 0.65 3 0.0 -X CH2E OS X 0.5 3 0.0 -X CH2E OT X 0.25 3 0.0 -X CH2E SE X 0.8 3 0.0 -X CH2E SO1 X 1.0 3 0.0 -X CH2E SO2 X 1.2 3 0.0 -X CH2E ST X 0.6 3 0.0 -X CQ66 CQ66 X 3.1 2 180.0 -X CQ66 CR56 X 3.1 2 180.0 -X CQ66 CR66 X 3.1 2 180.0 -X CQ66 CS66 X 3.1 2 180.0 -X CR55 CR55 X 3.1 2 180.0 -X CR55 CR56 X 3.1 2 180.0 -X CR55 NR55 X 3.1 2 180.0 -X CR56 CR56 X 3.1 2 180.0 -X CR56 CR66 X 3.1 2 180.0 -X CR56 N5R X 3.1 2 180.0 -X CR56 N6R X 3.1 2 180.0 -X CR56 NP X 3.1 2 180.0 -X CR56 NR56 X 3.1 2 180.0 -X CR56 O5R X 3.1 2 180.0 -X CR56 S5R X 3.1 2 180.0 -X CR66 CR66 X 3.1 2 180.0 -X CR66 CS66 X 3.1 2 180.0 -X CR66 N6R X 3.1 2 180.0 -X CR66 N6RP X 3.1 2 180.0 -X CR66 NP X 3.1 2 180.0 -X CR66 NR66 X 3.1 2 180.0 -X CR66 O6R X 3.1 2 180.0 -X CR66 P6R X 3.1 2 180.0 -X CR66 SO1 X 3.1 1 180.0 -X CS66 CS66 X 3.1 2 180.0 -C CT CT OE 0.85 3 0.0 -CT CT CT CT 0.70 1 0.0 -CT CT CT CT 0.13 3 0.0 -CT CT CT NO2 0.45 1 180.0 -CT CT CT NT 0.82 1 0.0 -CT CT CT OE 0.55 1 0.0 -CT CT CT OT 0.65 1 0.0 -CT CT CT XCL 0.05 1 0.0 -CT CT CT XF 0.40 1 0.0 -CT CT CUA1 CUA1 0.12 1 0.0 -CT CT CUA1 CUA1 4.4 3 180.0 -CT CT CUA2 CUA2 0.12 1 0.0 -CT CT CUA2 CUA2 4.4 3 180.0 -CT CT CUA3 CUA3 0.12 1 0.0 -CT CT CUA3 CUA3 4.4 3 180.0 -CT CT N5R N5R 0.07 3 0.0 -CT CT NT CT 1.15 1 0.0 -CT CT NT H 0.07 1 0.0 -CT CT OE CT 0.82 1 0.0 -CT CT OE CT 0.25 3 0.0 -CT CT OS C 0.10 3 0.0 -CT CT OT HO 0.35 1 0.0 -CT CT OT HO 0.35 3 0.0 -CT CT ST H 0.38 1 0.0 -CUA1 CT CT NP 0.85 3 0.0 -HA CT CUA1 CUA1 2.0 3 180.0 -HA CT CUA2 CUA2 2.0 3 180.0 -HA CT CUA3 CUA3 2.0 3 180.0 -HA CT OT HO 0.05 3 0.0 -NP CT CT OE 0.85 3 0.0 -NT CT NP CT 0.2 3 0.0 -OE CT OE CT 1.3 1 180.0 -OE CT OT HO 1.50 1 180.0 -OE CT OT HO 0.65 3 0.0 -OT CT CT OT 3.43 1 0.0 -OT CT CT OT 1.70 3 0.0 -XCL CT CT XCL 0.05 1 180.0 -XCL CT CUA1 CUA1 0.8 3 180.0 -XCL CT CUA2 CUA2 0.8 3 180.0 -XCL CT CUA3 CUA3 0.8 3 180.0 -X CT C5R X 0.01 6 0.0 -X CT C6R X 0.01 6 0.0 -X CT CT X 0.15 3 0.0 -X CT CT3 X 0.15 3 0.0 -X CT CT4 X 0.15 3 0.0 -X CT CUA1 X 1.2 3 180.0 -X CT CUA2 X 1.2 3 180.0 -X CT CUA3 X 1.2 3 180.0 -X CT CUY1 X 0.4 3 0.0 -X CT CUY2 X 0.4 3 0.0 -X CT MAL X 0.12 3 0.0 -X CT MMG X 0.15 3 0.0 -X CT MSE X 0.05 3 0.0 -X CT MSI X 0.09 3 0.0 -X CT MSIU X 0.10 3 0.0 -X CT MZN X 0.15 3 0.0 -X CT N X 0.07 3 0.0 -X CT N3 X 0.25 3 0.0 -X CT N5R X 0.15 6 180.0 -X CT N6R X 0.05 6 0.0 -X CT NC X 0.05 3 0.0 -X CT NO2 X 0.2 3 0.0 -X CT NP X 0.01 3 0.0 -X CT NT X 0.16 3 0.0 -X CT NX X 0.01 3 0.0 -X CT OE X 0.27 3 0.0 -X CT OS X 0.33 3 180.0 -X CT OT X 0.25 3 0.0 -X CT PO3 X 0.03 3 0.0 -X CT PT X 0.16 3 0.0 -X CT PUA1 X 0.1 3 0.0 -X CT SE X 0.45 4 0.0 -X CT SO1 X 0.33 3 0.0 -X CT SO2 X 0.4 3 0.0 -X CT SO3 X 0.4 3 0.0 -X CT ST X 0.17 3 0.0 -X CT3 CT3 X 0.16 3 0.0 -X CT3 CUA1 X 0.25 2 180.0 -X CT3 CUA3 X 0.25 2 180.0 -X CT3 N3 X 0.5 2 180.0 -X CT3 NT X 0.50 2 180.0 -X CT3 OE X 0.50 3 0.0 -X CT4 CT4 X 0.09 3 0.0 -X CT4 CUA1 X 0.25 2 180.0 -X CT4 CUA2 X 0.25 2 180.0 -X CT4 CUA3 X 0.25 2 180.0 -X CT4 NP X 0.10 3 180.0 -X CT4 NT X 0.77 3 0.0 -X CT4 NX X 0.01 3 180.0 -X CT4 OE X 0.7 3 0.0 -X CT4 OS X 0.7 3 0.0 -X CT4 SE X 0.25 3 0.0 -X CT4 ST X 0.25 3 0.0 -CH2E CUA1 CUA1 CH2E 0.56 1 0.0 -CT CUA1 CUA1 CT 0.36 1 0.0 -CT CUA1 CUA1 CT 3.55 2 180.0 -CT CUA1 CUA1 NP 3.45 2 180.0 -CUA1 CUA1 CUA2 CUA2 1.20 1 0.0 -CUA1 CUA1 CUA3 CUA3 1.20 1 0.0 -CUA1 CUA1 OE CT 1.18 1 180.0 -CUA1 CUA1 OE CT 1.80 2 180.0 -CUA1 CUA1 SE CUA1 3.1 2 180.0 -HA CUA1 CUA1 CT 3.45 2 180.0 -HA CUA1 CUA1 HA 3.45 2 180.0 -HA CUA1 CUA1 NP 3.45 2 180.0 -HA CUA1 OE CT 0.50 3 0.0 -X CUA1 C5R X 0.7 2 180.0 -X CUA1 C6R X 0.7 2 180.0 -X CUA1 CUA1 X 3.55 2 180.0 -X CUA1 CUA2 X 1.05 2 180.0 -X CUA1 CUA3 X 1.05 2 180.0 -X CUA1 CUY1 X 0.5 2 180.0 -X CUA1 CUY2 X 0.5 2 180.0 -X CUA1 MSE X 0.1 2 180.0 -X CUA1 MSIU X 3.45 2 180.0 -X CUA1 N X 0.5 3 0.0 -X CUA1 N3 X 0.16 3 0.0 -X CUA1 N5R X 0.25 2 180.0 -X CUA1 NP X 0.25 2 180.0 -X CUA1 NT X 0.16 3 0.0 -X CUA1 NX X 0.25 2 180.0 -X CUA1 OE X 2.5 2 180.0 -X CUA1 OS X 2.5 2 180.0 -X CUA1 OT X 1.5 2 180.0 -X CUA1 PT X 0.25 2 0.0 -X CUA1 SE X 1.5 3 0.0 -X CUA1 SO2 X 0.6 3 0.0 -X CUA1 ST X 0.1 3 0.0 -C5R CUA2 C5R N5R 1.25 2 180.0 -C5R CUA2 CUA2 NX 2.5 2 180.0 -CT CUA2 CUA2 CT 0.56 1 0.0 -CUA2 CUA2 C5R NX 2.5 2 180.0 -CUA2 CUA2 CUA3 CUA3 1.20 1 0.0 -X CUA2 C5R X 0.8 2 180.0 -X CUA2 C6R X 0.8 2 180.0 -X CUA2 CUA2 X 3.55 2 180.0 -X CUA2 CUA3 X 1.05 2 180.0 -X CUA2 CUY1 X 0.5 2 180.0 -X CUA2 CUY2 X 0.5 2 180.0 -X CUA2 MSE X 0.1 2 180.0 -X CUA2 N X 0.5 3 0.0 -X CUA2 N3 X 0.16 3 0.0 -X CUA2 N5R X 0.25 2 180.0 -X CUA2 NP X 0.25 2 180.0 -X CUA2 NT X 0.16 3 0.0 -X CUA2 NX X 0.25 2 180.0 -X CUA2 OE X 1.5 2 0.0 -X CUA2 OT X 1.5 2 180.0 -X CUA2 SE X 1.5 3 0.0 -X CUA2 SO2 X 0.6 3 0.0 -X CUA2 ST X 0.1 3 0.0 -CT CUA3 CUA3 CT 0.56 1 0.0 -X CUA3 CUA3 X 3.45 2 180.0 -X CUA3 OE X 1.5 2 0.0 -X CUY1 C5R X 0.5 2 0.0 -X CUY1 C6R X 0.5 2 0.0 -X CUY1 CUY1 X 0.05 4 0.0 -X CUY1 OS X 1.5 3 0.0 -X CUY2 C6R X 1.0 2 0.0 -X N N X 7.0 2 180.0 -X N NO2 X 2.5 2 180.0 -X N NP X 2.5 2 180.0 -X N NT X 1.75 2 180.0 -X N OE X 0.5 3 0.0 -X N OT X 1.3 3 0.0 -X N SE X 2.0 3 0.0 -X N SO2 X 1.75 3 0.0 -X N3 N3 X 1.50 2 0.0 -X N5R N5R X 2.25 2 0.0 -X N5R N5RP X 2.25 2 0.0 -X N5R NP X 2.25 2 0.0 -X N5R NR56 X 2.25 2 0.0 -X N5R O5R X 2.25 2 0.0 -X N5R S5R X 2.25 2 0.0 -X N5R SO2 X 0.6 3 0.0 -X N6R NR56 X 2.25 2 0.0 -X NP NO2 X 2.6 2 180.0 -X NP NP X 1.25 2 180.0 -X NP NT X 0.1 3 0.0 -X NP OE X 0.25 3 0.0 -X NP OS X 0.25 3 0.0 -X NP OT X 0.25 3 0.0 -X NP PT X 0.5 2 180.0 -X NP PUA1 X 1.00 2 0.0 -X NP SO1 X 1.25 2 0.0 -X NP SO2 X 1.25 3 0.0 -X NP SO3 X 1.25 3 0.0 -X NT MAL X 0.1 3 0.0 -X NT MSI X 0.3 3 0.0 -X NT NT X 0.23 3 0.0 -X NT OE X 0.12 3 0.0 -X NT PT X 0.16 3 0.0 -X NT SO2 X 0.4 3 0.0 -X NX OE X 0.25 3 0.0 -X NX PT X 0.5 2 180.0 -X NX SO2 X 0.4 3 0.0 -X NX SO3 X 0.4 3 0.0 -X O5R S5R X 2.25 2 0.0 -X OE NO2 X 1.20 2 180.0 -X OE PT X 0.10 3 0.0 -X OE SE X 0.10 3 0.0 -X OE SO3 X 0.08 3 0.0 -X OE SO4 X 0.07 3 0.0 -X OS OS X 0.70 2 0.0 -X OS PO3 X 0.07 3 0.0 -X OS PO4 X 0.07 3 0.0 -X OS PT X 0.07 3 0.0 -X OS SO4 X 0.07 3 0.0 -X OT PO3 X 0.07 3 0.0 -X OT PO4 X 0.07 3 0.0 -X OT PT X 0.07 3 0.0 -X OT SO3 X 0.07 3 0.0 -X OT SO4 X 0.07 3 0.0 -X PT PT X 0.20 2 0.0 -X PT SE X 0.33 3 0.0 -X PT ST X 0.33 3 0.0 -X PUA1 PUA1 X 2.0 2 0.0 -X SE SE X 2.0 2 0.0 -X ST ST X 4.5 2 0.0 -X MAL MAL X 0.1 3 0.0 -X MAL OE X 0.03 3 0.0 -X MAL OS X 0.26 3 0.0 -X MAL OT X 0.26 3 0.0 -X MAL PT X 0.26 3 0.0 -X MAS MAS X 0.15 3 0.0 -X MAS OS X 0.26 3 0.0 -X MAS OT X 0.26 3 0.0 -X MAS SE X 0.15 3 0.0 -X MCO MCO X 0.05 3 0.0 -X MCU N5R X 5.0 2 0.0 -X MCU NT X 2.5 2 0.0 -X MCU O X 5.0 2 0.0 -X MCU OE X 5.0 2 0.0 -X FE ST X 1.0 3 0.0 -X MGE CT X 0.15 3 0.0 -X MGE SE X 0.15 3 0.0 -X MSE MSE X 2.5 2 0.0 -X MSE OE X 0.3 3 0.0 -X MSE PT X 0.3 3 0.0 -OSI MSI OSI MSI 0.27 3 180.0 -OT MSI OSI MSI 0.27 3 180.0 -X MSI MSI X 0.16 3 0.0 -X MSI MSIU X 0.25 3 0.0 -X MSI O2M X 0.27 3 0.0 -X MSI OE X 0.55 3 0.0 -X MSI OS X 0.27 3 0.0 -X MSI OSI X 0.27 3 0.0 -X MSI OT X 0.10 3 0.0 -X MSI PT X 0.25 3 0.0 -IMPHI ! IMPROPER ANGLES; improper angles -FE X X NP 20.0 0 0.0! -C X X CR1E 25.0 0 0.0 -B X X XCL 55.0 0 35.26439 -C C OT O 65.0 0 0.0 -C C OT OAC 65.0 0 0.0 -C C5R OS OAC 147.0 0 0.0 -C C6R OS OAC 147.0 0 0.0 -C CH1E OS OAC 147.0 0 0.0 -C CH1E OT OAC 147.0 0 0.0 -C CH2E OS OAC 147.0 0 0.0 -C CH2E OT OAC 147.0 0 0.0 -C CH3E OS OAC 147.0 0 0.0 -C CH3E OT OAC 147.0 0 0.0 -C CT C OK 72.0 0 0.0 -C CT OS O 147.0 0 0.0 -C CT OS OAC 147.0 0 0.0 -C CT OT O 147.0 0 0.0 -C CT OT OAC 147.0 0 0.0 -C HA C OA 70.0 0 0.0 -C HA OS O 80.0 0 0.0 -C HA OS OAC 80.0 0 0.0 -C HA OT O 72.0 0 0.0 -C HA OT OAC 72.0 0 0.0 -C OC OC CH1E 100.0 0 0.0 -C OC OC CH2E 100.0 0 0.0 -C OC OC CH3E 100.0 0 0.0 -C OC OC CT 100.0 0 0.0 -C OT CT OAC 147.0 0 0.0 -C OT CUA1 OAC 147.0 0 0.0 -C X X C 100.0 0 0.0 -C X X C5R 90.0 0 0.0 -C X X C5RP 100.0 0 0.0 -C X X C5RQ 100.0 0 0.0 -C X X C6R 100.0 0 0.0 -C X X C6RE 100.0 0 0.0 -C X X C6RP 100.0 0 0.0 -C X X CH2E 60.0 0 0.0 -C X X CH3E 60.0 0 0.0 -C X X CQ66 100.0 0 0.0 -C X X CR56 100.0 0 0.0 -C X X CR66 100.0 0 0.0 -C X X CS66 100.0 0 0.0 -C X X CT 60.0 0 0.0 -C X X CUA1 100.0 0 0.0 -C X X CUA2 100.0 0 0.0 -C X X N 45.0 0 0.0 -C X X N5R 90.0 0 0.0 -C X X N6R 90.0 0 0.0 -C X X NC 90.0 0 0.0 -C X X NO2 90.0 0 0.0 -C X X NP 60.0 0 0.0 -C X X NR56 90.0 0 0.0 -C X X NR66 90.0 0 0.0 -C X X NT 90.0 0 0.0 -C X X NX 60.0 0 0.0 -C X X O 147.0 0 0.0 -C X X O5R 90.0 0 0.0 -C X X OA 78.0 0 0.0 -C X X OAC 147.0 0 0.0 -C X X OC 100.0 0 0.0 -C X X OE 90.0 0 0.0 -C X X OK 66.0 0 0.0 -C X X OS 40.0 0 0.0 -C X X OT 80.0 0 0.0 -C X X PUA1 90.0 0 0.0 -C X X S5R 90.0 0 0.0 -C X X S6R 90.0 0 0.0 -C X X SK 45.0 0 0.0 -C X X XBR 45.0 0 0.0 -C X X XCL 45.0 0 0.0 -C X X XF 45.0 0 0.0 -C X X XI 45.0 0 0.0 -C3 X X OK 125.0 0 0.0 -C4 X X NX 5.0 0 0.0 -C4 X X O 125.0 0 0.0 -C4 X X OK 125.0 0 0.0 -C5R X X C5R 130.0 0 0.0 -C5R X X C5RE 90.0 0 0.0 -C5R X X C5RP 130.0 0 0.0 -C5R X X C5RQ 130.0 0 0.0 -C5R X X CH1E 130.0 0 0.0 -C5R X X CH2E 130.0 0 0.0 -C5R X X CH3E 130.0 0 0.0 -C5R X X CR55 90.0 0 0.0 -C5R X X CR56 90.0 0 0.0 -C5R X X CT 130.0 0 0.0 -C5R X X CUA1 130.0 0 0.0 -C5R X X CUA2 130.0 0 0.0 -C5R X X CUY1 70.0 0 0.0 -C5R X X CUY2 70.0 0 0.0 -C5R X X MSE 45.0 0 0.0 -C5R X X N5R 90.0 0 0.0 -C5R X X N5RP 90.0 0 0.0 -C5R X X NP 40.0 0 0.0 -C5R X X NR55 90.0 0 0.0 -C5R X X NR56 90.0 0 0.0 -C5R X X O5R 40.0 0 0.0 -C5R X X OC 150.0 0 0.0 -C5R X X OE 150.0 0 0.0 -C5R X X OK 30.0 0 0.0 -C5R X X OS 90.0 0 0.0 -C5R X X OT 150.0 0 0.0 -C5R X X S5R 90.0 0 0.0 -C5R X X SE 90.0 0 0.0 -C5R X X SO2 45.0 0 0.0 -C5R X X XBR 90.0 0 0.0 -C5R X X XCL 90.0 0 0.0 -C5R X X XF 90.0 0 0.0 -C5R X X XI 90.0 0 0.0 -C5RE X X C5RE 90.0 0 0.0 -C5RE X X CR55 90.0 0 0.0 -C5RE X X CR56 90.0 0 0.0 -C5RE X X N5R 90.0 0 0.0 -C5RE X X NR55 90.0 0 0.0 -C5RE X X NR56 90.0 0 0.0 -C5RE X X O5R 40.0 0 0.0 -C5RE X X S5R 40.0 0 0.0 -C5RP X X C5RP 130.0 0 0.0 -C5RP X X C6RP 130.0 0 0.0 -C5RP X X N5R 130.0 0 0.0 -C5RP X X N5RP 130.0 0 0.0 -C5RP X X S5R 130.0 0 0.0 -C5RQ X X C5RQ 130.0 0 0.0 -C6R X X C5R 40.0 0 0.0 -C6R X X C6R 15.0 0 0.0 -C6R X X C6RE 40.0 0 0.0 -C6R X X C6RP 140.0 0 0.0 -C6R X X C6RQ 140.0 0 0.0 -C6R X X CH1E 130.0 0 0.0 -C6R X X CH2E 130.0 0 0.0 -C6R X X CH3E 130.0 0 0.0 -C6R X X CQ66 130.0 0 0.0 -C6R X X CR56 90.0 0 0.0 -C6R X X CR66 130.0 0 0.0 -C6R X X CS66 130.0 0 0.0 -C6R X X CT 130.0 0 0.0 -C6R X X CT3 130.0 0 0.0 -C6R X X CUA1 90.0 0 0.0 -C6R X X CUA2 90.0 0 0.0 -C6R X X CUY1 90.0 0 0.0 -C6R X X CUY2 90.0 0 0.0 -C6R X X MAL 90.0 0 0.0 -C6R X X MSE 45.0 0 0.0 -C6R X X MSI 90.0 0 0.0 -C6R X X N 90.0 0 0.0 -C6R X X N5R 90.0 0 0.0 -C6R X X N6R 90.0 0 0.0 -C6R X X N6RP 90.0 0 0.0 -C6R X X NO2 90.0 0 0.0 -C6R X X NP 90.0 0 0.0 -C6R X X NR56 90.0 0 0.0 -C6R X X NT 110.0 0 0.0 -C6R X X NX 90.0 0 0.0 -C6R X X O 90.0 0 0.0 -C6R X X O6R 90.0 0 0.0 -C6R X X OC 90.0 0 0.0 -C6R X X OE 150.0 0 0.0 -C6R X X OK 30.0 0 0.0 -C6R X X OS 90.0 0 0.0 -C6R X X OT 150.0 0 0.0 -C6R X X P6R 90.0 0 0.0 -C6R X X PO3 90.0 0 0.0 -C6R X X PT 90.0 0 0.0 -C6R X X S6R 40.0 0 0.0 -C6R X X SE 90.0 0 0.0 -C6R X X SO1 130.0 0 0.0 -C6R X X SO2 90.0 0 0.0 -C6R X X SO3 90.0 0 0.0 -C6R X X ST 90.0 0 0.0 -C6R X X XBR 90.0 0 0.0 -C6R X X XCL 90.0 0 0.0 -C6R X X XF 90.0 0 0.0 -C6R X X XI 90.0 0 0.0 -C6RE X X C6RE 05.0 0 0.0 -C6RE X X C6RP 90.0 0 0.0 -C6RE X X CQ66 90.0 0 0.0 -C6RE X X CR56 90.0 0 0.0 -C6RE X X CR66 90.0 0 0.0 -C6RE X X CS66 90.0 0 0.0 -C6RE X X N6R 90.0 0 0.0 -C6RE X X N6RP 90.0 0 0.0 -C6RE X X NP 90.0 0 0.0 -C6RE X X NR56 90.0 0 0.0 -C6RE X X NR66 90.0 0 0.0 -C6RE X X O6R 90.0 0 0.0 -C6RE X X P6R 90.0 0 0.0 -C6RP X X C6RP 130.0 0 0.0 -C6RP X X C6RQ 90.0 0 0.0 -C6RP X X CQ66 90.0 0 0.0 -C6RP X X CR56 90.0 0 0.0 -C6RP X X CR66 90.0 0 0.0 -C6RP X X CS66 90.0 0 0.0 -C6RP X X N5RP 90.0 0 0.0 -C6RP X X N6R 90.0 0 0.0 -C6RP X X N6RP 90.0 0 0.0 -C6RP X X NR66 90.0 0 0.0 -C6RP X X O6R 90.0 0 0.0 -C6RP X X P6R 90.0 0 0.0 -C6RQ X X C6RQ 130.0 0 0.0 -CH1E OE CH1E N5R 55.0 0 32.0 -CH1E OE CH1E N6R 55.0 0 32.0 -CH1E OE CH2E N5R 55.0 0 32.0 -CH1E OE CH2E N6R 55.0 0 32.0 -CH1E X X C 55.0 0 35.26439 -CH1E X X CH1E 55.0 0 32.0 -CH1E X X CH2E 55.0 0 32.0 -CH1E X X CH3E 55.0 0 35.26439 -CH1E X X CT 55.0 0 35.26439 -CH1E X X OE 55.0 0 35.26439 -CH1E X X OS 55.0 0 35.26439 -CH1E X X OT 55.0 0 35.26439 -CH1E X X XBR 55.0 0 35.26439 -CH1E X X XCL 55.0 0 35.26439 -CH1E X X XF 55.0 0 35.26439 -CH1E X X XI 55.0 0 35.26439 -CQ66 X X CQ66 90.0 0 0.0 -CQ66 X X CR66 90.0 0 0.0 -CQ66 X X CS66 90.0 0 0.0 -CQ66 X X N6R 150.0 0 0.0 -CQ66 X X NR66 150.0 0 0.0 -CQ66 X X O6R 150.0 0 0.0 -CQ66 X X S6R 40.0 0 0.0 -CR55 X X CR55 90.0 0 0.0 -CR55 X X CR56 90.0 0 0.0 -CR56 X X C5RP 90.0 0 0.0 -CR56 X X CQ66 90.0 0 0.0 -CR56 X X CR56 90.0 0 0.0 -CR56 X X CR66 90.0 0 0.0 -CR56 X X N5R 90.0 0 0.0 -CR56 X X N6R 90.0 0 0.0 -CR56 X X N6RP 90.0 0 0.0 -CR56 X X NP 90.0 0 0.0 -CR56 X X NR56 90.0 0 0.0 -CR56 X X NR66 90.0 0 0.0 -CR56 X X O5R 40.0 0 0.0 -CR56 X X OE 40.0 0 0.0 -CR56 X X OS 40.0 0 0.0 -CR56 X X S5R 90.0 0 0.0 -CR66 X X CR66 90.0 0 0.0 -CR66 X X CS66 90.0 0 0.0 -CR66 X X N6R 150.0 0 0.0 -CR66 X X N6RP 150.0 0 0.0 -CR66 X X NR66 150.0 0 0.0 -CR66 X X NP 90.0 0 0.0 -CR66 X X O6R 150.0 0 0.0 -CR66 X X OC 90.0 0 0.0 -CR66 X X OE 40.0 0 0.0 -CR66 X X OS 40.0 0 0.0 -CR66 X X P6R 90.0 0 0.0 -CR66 X X S6R 40.0 0 0.0 -CR66 X X SO1 90.0 0 0.0 -CS66 X X CS66 90.0 0 0.0 -CT X X CUA1 70.0 0 0.0 -CT X X CUA2 70.0 0 0.0 -CT X X CUA3 70.0 0 0.0 -CT X X MSI 55.0 0 35.26439 -CT X X N 45.0 0 0.0 -CT X X N3 35.0 0 0.0 -CT X X N5R 90.0 0 0.0 -CT X X N6R 90.0 0 0.0 -CT X X NP 45.0 0 0.0 -CT X X NT 55.0 0 35.26439 -CT X X NX 35.0 0 0.0 -CUA1 X X CF1 50.0 0 0.0 -CUA1 X X CF2 50.0 0 0.0 -CUA1 X X CF3 50.0 0 0.0 -CUA1 X X CT3 150.0 0 0.0 -CUA1 X X CT4 180.0 0 0.0 -CUA1 X X CUA1 150.0 0 0.0 -CUA1 X X CUA2 62.0 0 0.0 -CUA1 X X CUA3 62.0 0 0.0 -CUA1 X X MSE 45.0 0 0.0 -CUA1 X X MSIU 70.0 0 0.0 -CUA1 X X N 45.0 0 0.0 -CUA1 X X N3 45.0 0 0.0 -CUA1 X X NP 45.0 0 0.0 -CUA1 X X OE 45.0 0 0.0 -CUA1 X X OT 45.0 0 0.0 -CUA1 X X PT 45.0 0 0.0 -CUA1 X X SE 45.0 0 0.0 -CUA1 X X SO2 45.0 0 0.0 -CUA1 X X XBR 90.0 0 0.0 -CUA1 X X XCL 90.0 0 0.0 -CUA1 X X XF 90.0 0 0.0 -CUA1 X X XI 90.0 0 0.0 -CUA2 X X CF1 50.0 0 0.0 -CUA2 X X CF2 50.0 0 0.0 -CUA2 X X CF3 50.0 0 0.0 -CUA2 X X CT3 150.0 0 0.0 -CUA2 X X CT4 180.0 0 0.0 -CUA2 X X CUA2 70.0 0 0.0 -CUA2 X X CUA3 62.0 0 0.0 -CUA2 X X MSE 45.0 0 0.0 -CUA2 X X N3 45.0 0 0.0 -CUA2 X X OE 45.0 0 0.0 -CUA2 X X OT 45.0 0 0.0 -CUA2 X X SE 45.0 0 0.0 -CUA2 X X XBR 90.0 0 0.0 -CUA2 X X XCL 90.0 0 0.0 -CUA2 X X XF 90.0 0 0.0 -CUA2 X X XI 90.0 0 0.0 -CUA3 X X CT3 150.0 0 0.0 -CUA3 X X CT4 180.0 0 0.0 -CUA3 X X CUA3 70.0 0 0.0 -H CPH1 CPH2 NR1 0.45 0 0.0 -H CPH1 CPH2 NR3 1.2 0 0.0 -H CPH2 CPH1 NR1 0.45 0 0.0 -H CPH2 CPH1 NR3 1.2 0 0.0 -H X X N3 35.0 0 0.0 -H X X N5R 35.0 0 0.0 -H X X N6R 35.0 0 0.0 -HA CPH1 NR1 CPH1 0.5 0 0.0 -HA CPH1 NR2 CPH1 0.5 0 0.0 -HA CPH1 NR3 CPH1 1.0 0 0.0 -HA NR1 CPH1 CPH1 0.5 0 0.0 -HA NR1 NR2 CPH2 0.5 0 0.0 -HA NR2 CPH1 CPH1 0.5 0 0.0 -HA NR2 NR1 CPH2 0.5 0 0.0 -HA X X C 53.0 0 0.0 -HA X X C5R 75.0 0 0.0 -HA X X C6R 75.0 0 0.0 -HA X X CUA1 75.0 0 0.0 -HA X X CUA2 75.0 0 0.0 -HA X X CUA3 75.0 0 0.0 -HA X X MSI 55.0 0 35.26439 -HC X X NC 45.0 0 0.0 -N X X N 45.0 0 0.0 -N5R X X CH1E 45.0 0 0.0 -N5R X X CH2E 45.0 0 0.0 -N5R X X CUA1 90.0 0 0.0 -N5R X X N5R 90.0 0 0.0 -N5R X X NR56 90.0 0 0.0 -N5R X X O5R 50.0 0 0.0 -N5R X X OC 90.0 0 0.0 -N5R X X S5R 45.0 0 0.0 -N5R X X SO2 45.0 0 0.0 -N6R X X CH1E 45.0 0 0.0 -N6R X X CH2E 45.0 0 0.0 -N6R X X N6R 90.0 0 0.0 -N6R X X N6RP 90.0 0 0.0 -N6R X X NR56 90.0 0 0.0 -N6R X X NR66 90.0 0 0.0 -N6R X X O 50.0 0 0.0 -N6R X X OE 40.0 0 0.0 -N6R X X OS 40.0 0 0.0 -N6R X X S6R 40.0 0 0.0 -NC HC HC C 90.0 0 0.0 -NO2 X X CT 45.0 0 0.0 -NO2 X X N 35.0 0 0.0 -NO2 X X NO2 35.0 0 0.0 -NO2 X X O 45.0 0 0.0 -NO2 X X OE 45.0 0 0.0 -NP H H C 45.0 0 0.0 -NP NC NC C 100.0 0 0.0 -NP X X CH2E 60.0 0 0.0 -NP X X CH3E 60.0 0 0.0 -NP X X H 18.0 0 0.0 -NP X X N 45.0 0 0.0 -NP X X NO2 67.0 0 0.0 -NP X X NP 65.0 0 0.0 -NP X X NT 45.0 0 0.0 -NP X X OT 45.0 0 0.0 -NP X X PT 45.0 0 0.0 -NP X X SO2 45.0 0 0.0 -NP X X SO3 45.0 0 0.0 -NX X X CH1E 60.0 0 0.0 -NX X X CH2E 60.0 0 0.0 -NX X X CUA1 45.0 0 0.0 -NX X X H 18.0 0 0.0 -NX X X OE 45.0 0 0.0 -NX X X SO2 45.0 0 0.0 -NX X X SO3 45.0 0 0.0 -O5R X X O5R 90.0 0 0.0 -OE X X CT 40.0 0 0.0 -OE X X MAL 40.0 0 0.0 -OE X X OE 40.0 0 0.0 -OE X X OS 40.0 0 0.0 -OE X X S6R 40.0 0 0.0 -OE X X SE 5.0 0 0.0 -OS X X OS 40.0 0 0.0 -OS X X S6R 40.0 0 0.0 -PT X X CT 55.0 0 35.26439 -PT X X H 35.0 0 35.26439 -PT X X MSI 15.0 0 35.26439 -PT X X NT 15.0 0 35.26439 -PT X X PT 15.0 0 35.26439 -PT X X SE 15.0 0 35.26439 -PT X X XCL 15.0 0 35.26439 -PUA1 X X H 35.0 0 0.0 -PUA1 X X HA 35.0 0 0.0 -PUA1 X X PUA1 65.0 0 0.0 -S6R X X S6R 40.0 0 0.0 -SO1 X X O 5.0 0 0.0 -MAL X X CT 5.0 0 0.0 -MAL X X NT 5.0 0 0.0 -MAL X X PT 5.0 0 -60.0 -MCU NT O NT 55.0 0 0.0 -MCU O NT O 55.0 0 0.0 -MCU X X N5R 90.0 0 0.0 -FE X X N5R 10.0 0 0.0 -FE X X O5R 0.0 0 0.0 -FE X X OE 0.0 0 0.0 -NBONDED NBXMOD 5 ATOM CDIEL SWITCH VATOM VDISTANCE VSWITCH - -CUTNB 15.0 CTOFNB 14.0 CTONNB 11.0 EPS 1.0 E14FAC 0.5 WMIN 1.5 -! -! EMIN Rmin These columns used for -! (kcal/mol) (A) 1-4 interactions -! -N* 1.10 -0.0900 1.830 1.10 -0.1 1.63 -P* 3.0 -0.100 1.900 -M* 0.01 -0.001 0.650 -S* 0.34 -0.043 1.890 -AR 1.641 18.00 1.88 -B 1.50 -0.01 1.17 -CR1E 1.35 -0.1200 2.100 1.35 -0.1 1.9 ! ring carbons -C 1.65 -0.1410 1.870 -C3 1.65 -0.1410 1.870 -C4 1.65 -0.1410 1.870 -C5R 1.65 -0.0500 2.040 1.65 -0.1 1.76 -C5RE 1.35 -0.0903 2.100 1.35 -0.1 1.90 -C5RP 1.65 -0.0500 2.040 -C5RQ 1.65 -0.0500 2.040 -C6R 1.65 -0.0500 2.040 1.65 -0.1 1.76 -C6RE 1.35 -0.0903 1.990 1.35 -0.1 1.99 -C6RP 1.65 -0.0500 2.040 -C6RQ 1.65 -0.0500 2.040 -CF1 1.65 -0.0903 1.800 1.65 -0.1 1.75 -CF2 1.65 -0.0903 1.800 1.65 -0.1 1.75 -CF3 1.65 -0.0903 1.800 1.65 -0.1 1.75 -CH1E 1.35 -0.0486 2.265 1.35 -0.1 1.76 -CH2E 1.77 -0.1142 2.235 1.77 -0.1 1.76 -CH3E 2.17 -0.1811 2.165 2.17 -0.1 1.76 -CM 1.65 -0.0262 2.490 -CP3 1.65 -0.0903 1.800 -CPH1 1.65 -0.0903 1.800 -CPH2 1.65 -0.0903 1.800 -CQ66 1.65 -0.0500 2.040 -CR55 1.65 -0.0500 2.040 -CR56 1.65 -0.0500 2.040 -CR66 1.65 -0.0500 2.040 -CS66 1.65 -0.0500 2.040 -CT 1.65 -0.0903 1.800 1.65 -0.1 1.75 -CT3 1.65 -0.0903 1.800 -CT4 1.65 -0.0903 1.800 -CUA1 1.65 -0.0400 1.960 1.65 -0.1 1.76 -CUA2 1.65 -0.0400 1.960 -CUA3 1.65 -0.0400 1.960 -CUY1 1.65 -0.0300 2.100 -CUY2 1.65 -0.0300 2.100 -H 0.044 -0.0498 0.800 -HA 0.1 -0.0420 1.330 -HC 0.044 -0.0498 0.600 -HE 0.205 2.00 1.4 -HMU 0.044 -0.042 1.400 -HO 0.044 -0.0498 0.760 -HT 0.044 -0.0498 0.920 -KR 2.484 36.00 2.02 -LP 0.00 -0.04598 0.2245 -N5R 0.0 -0.0900 1.720 -NE 0.396 10.00 1.54 -NR1 0.0 -0.2000 1.850 -NR2 0.0 -0.2000 1.850 -NR3 0.0 -0.2000 1.850 -NT 0.0 -0.1500 1.650 -O 0.84 -0.1591 1.550 0.84 -0.20 1.36 -O2M 0.84 -0.001 0.650 -O5R 0.84 -0.1591 1.600 -O6R 0.84 -0.1591 1.600 -OA 0.84 -0.1591 1.540 0.84 -0.20 1.36 -OAC 0.84 -0.1591 1.520 0.84 -0.20 1.36 -OC 2.14 -0.1591 1.660 -OE 0.84 -0.1591 1.600 0.84 -0.20 1.36 -OH2 0.00 -0.0758 1.739 -OK 0.84 -0.1591 1.550 0.84 -0.20 1.36 -OM 0.84 -0.1591 1.540 -OS 0.84 -0.1591 1.600 0.84 -0.20 1.36 -OSH 0.01 -0.1591 1.600 -OSI 0.84 -0.1591 1.830 -OT 0.84 -0.1521 1.550 0.84 -0.20 1.48 -OW 0.84 -0.1521 1.768 -PT 0.0 -0.100 1.800 -PUY1 0.0 -0.100 1.800 -RN 5.300 86.00 2.25 -SE 0.00 -0.043 1.970 -XAT 2.880 -0.3200 2.180 -XBR 2.880 -0.3200 2.180 -XCL 1.91 -0.2600 2.060 -XE 4.044 54.00 2.16 -XF 0.32 -0.1000 1.700 0.32 -0.15 1.55 -XI 4.690 -0.8000 2.040 -MAL 0.29 -0.250 2.660 -MAS 0.00 -0.060 2.000 -MBA 0.0 -0.160 1.900 -MBE 0.00 -0.003 1.100 -MCA 0.00 -0.060 1.744 -MCS 2.90 -0.00449 2.909 -MCU 0.00 -0.060 1.380 -FE 0.01 -0.020 1.465 -MGE 0.00 -0.045 1.700 -MK 1.93 -0.0100 2.350 -MLI 0.025 -0.007 1.236 -MMG 0.00 -0.045 1.439 -MMN 0.00 -0.700 1.600 -MNA 0.17 -0.026 1.650 -MNI 0.00 -0.050 1.000 -MPD 0.00 -0.010 1.340 -MPT 0.0 -0.010 1.330 -MRB 1.90 -0.00653 2.661 -MRH 2.90 -0.0250 1.570 -MRU 2.90 -0.0250 1.650 -MSI 0.10 -0.310 2.500 0.10 -0.20 2.20 -MSIU 0.10 -0.310 2.600 -MSN 2.9 -0.045 1.900 -MSR 0.0 -0.1719 1.977 -MYB 0.00 -0.060 1.755 -MZN 0.0 -0.250 1.090 -MZR 1.90 -0.0100 2.030 -! -NBFIX -! -!MSI MSI -0.2500 0.84 !this must be turned on if polarization used -!MAL MAL -0.2500 1.00 !this must be turned on if polarization used -!CT HO -0.15 3.00 -!HA HO -0.05 3.10 -!HT HT -0.04598 0.4490 -!HT OW -0.08363 1.9927 -!O2M MAL -0.1855 2.81 -!O2M MSI -0.1855 2.61 -!O2M O2M -0.5596 3.59 -!OSH MAL 0.0 0.000001 -!OSH MSI 0.0 0.000001 -!OSH O2M 0.0 0.000001 -!OSH OSH 0.0 0.000001 -!OW OW -0.152073 3.5365 -!FE N5R -0.05 2.70 -!FE OM -0.05 1.58 -HBOND AEXP 4 REXP 6 HAEX 4 AAEX 2 NOACCEPTORS HBNOEXCLUSIONS ALL - -CUTHB 0.5 CTOFHB 5.0 CTONHB 4.0 CUTHA 90.0 CTOFHA 90.0 CTONHA 90.0 -! -N* N* -3.00 3.00 -N* O* -3.50 2.90 -OT N* -4.00 2.85 -O* O* -4.25 2.75 -! - -VOLUME -H 0.310 -HA 0.310 !ADDED VOLUME -- POLAR H -HC 0.529 -HO 0.440 -HT 0.440 -C 12.403 -CH1E 12.257 -CH2E 35.356 -CH3E 40.947 -CR1E 18.583 -CR56 18.583 !ADDED VOLUME -- AROMATIC C -CR66 18.583 !ADDED VOLUME -- AROMATIC C -C5RE 18.583 !ADDED VOLUME -- AROMATIC C -C5R 12.403 !ADDED VOLUME -- AROMATIC C w/NO H -C6RE 18.583 !ADDED VOLUME -- AROMATIC C -C6R 12.403 !ADDED VOLUME -- AROMATIC C w/NO H -C6RP 12.403 !ADDED VOLUME -- THIS IS BASICALLY C6R?? -CUA1 12.403 !ADDED VOLUME -- DOUBLE BONDED C -CUY1 12.403 !ADDED VOLUME -- TRIPLE BONDED C -CUY2 12.403 !ADDED VOLUME -- TRIPLE BONDED C -CT 12.403 !ADDED VOLUME -- TETRAHEDRAL C -CM 0.000 -LP 0.000 -NX 0.000 !renamed from N to comform to parm.prm -N 16.611 !N IN UREA -N5R 1.879 !PYROLE RING IN TRP, HIS, etc. -N6R 1.879 !ADDED VOLUME - FRAGMENTS -NC 17.428 !NH's ON ARG -- SOMEWHERE BETWEEN NC2 & NH3?? -NT 15.521 !NH's on LYS -NR 16.611 -NP 1.879 -NH1 1.708 -NH2 18.677 -NH3 15.521 -NC2 19.336 -O 14.375 -OC 16.404 -OA 16.404 !THIS IS BASICALLY AN UNCHARGED CARBOXYL O -OAC 16.404 !"" FOR ACIDS -OT 21.427 !HYDROXYL -OS 21.427 !ESTER O -- THIS IS BASICALLY TETRAHEDRAL -OE 21.427 !ADDED VOLUME - ESTER O -- THIS IS BASICALLY TETRAHEDRAL -OW 21.427 !WATER -OH1 21.427 -OH2 21.427 !WATER -OM 20.545 -S 15.196 -SE 15.196 !GENERAL SULFUR -SH1E 28.529 !SULFUR IN SO4 FROM PARAM19 -ST 15.196 !TETRAHEDRAL SULFUR -FE 0.411 - -END diff --git a/examples/example1/pdbamino.rtf b/examples/example1/pdbamino.rtf deleted file mode 100644 index 21d0b1d..0000000 --- a/examples/example1/pdbamino.rtf +++ /dev/null @@ -1,4327 +0,0 @@ -* ... -* ... -* Copyright (c) 1986, 1987, 1988, 1989, 1990, 1991, 1992 -* Molecular Simulations Incorporated -* Confidential and Proprietary: All Rights Reserved -* ... -* .... -* TEMPLATE FOR CREATING CHARMm RTF file -* .... -* (%_m) replaced by first 4 characters of molecule name -* in QUANTA (if used) -* .. -* Build RTF for %m -* ... -* sorted alphabetically; metals follow organics -* Atom type numbers 201-229 are reserved for special QUANTA display atom types. -* Atom type numbers 235-253 are reserved for special XPLOR Engh and Huber types -* Last current active number is 253. -* - 22 0 -MASS 170 AR 39.948 Ar ! Argon -MASS 7 B 10.81 B ! Boron -MASS 14 C 12.01100 C ! Carbonyl or Guanidinium carbon -MASS 190 C3 12.01100 C ! Carbonyl carbon in 3-membered aliphatic ring -MASS 192 C4 12.01100 C ! Carbonyl carbons in 4-membered aliphatic ring -MASS 21 C5R 12.01100 C ! Aromatic carbon in a five membered ring -MASS 248 C5W 12.01100 C ! Aromatic carbon in a five membered ring E&H -MASS 23 C5RE 13.01900 C ! Extended aromatic carbon in five membered ring -MASS 28 C5RP 12.01100 C ! for Aryl-Aryl bond between C5R rings -MASS 189 C5RQ 12.01100 C ! for second Ar-Ar bond between C5RP rings (ortho) -MASS 22 C6R 12.01100 C ! Aromatic carbon in a six membered ring -MASS 243 CF 12.01100 C ! Aromatic carbon in 6 membered ring trp E&H -MASS 251 CY 12.01100 C ! Aromatic carbon in 6 membered ring tyr E&H -MASS 252 CY2 12.01100 C ! Aromatic carbon in 6 membered ring tyr E&H -MASS 24 C6RE 13.01900 C ! Extended aromatic carbon in six membered ring -MASS 244 CR1E 13.01900 C ! Extended aromatic carbon six membered ring E&H -MASS 250 CR1W 12.01100 C ! Extended aromatic carbon six ring trp E&H -MASS 29 C6RP 12.01100 C ! for Aryl-Aryl bond between C6R rings -MASS 194 C6RQ 12.01100 C ! Carbon of C6RP type ortho to C6RP pair -MASS 230 CF1 12.01100 C ! Carbon with one Fluorine -MASS 231 CF2 12.01100 C ! Carbon with two Fluorines -MASS 232 CF3 12.01100 C ! Carbons with three Fluorines -MASS 11 CH1E 13.01900 C ! Extended atom carbon with one hydrogen -MASS 12 CH2E 14.02700 C ! Extended atom carbon with two hydrogens -MASS 246 CH2P 14.02700 C ! Extended atom carbon with two h - pro E&H -MASS 237 CH2G 14.02700 C ! Extended atom carbon with two hydrogens E&H -MASS 13 CH3E 15.03500 C ! Extended atom carbon with three hydrogens -MASS 15 CM 12.01100 C ! Carbonmonoxide, or other triply bonded, carbon -MASS 199 CP3 12.01100 C ! Carbon on nitrogen in proline ring -MASS 197 CPH1 12.01100 C ! CG and CD2 carbons in histidine ring -MASS 238 C5 12.01100 C ! CG carbons in histidine ring E&H -MASS 239 CR1H 13.01900 C ! CD2 carbons in histidine ring E&H -MASS 198 CPH2 13.01900 C ! CE1 carbon in histidine ring -MASS 240 CRHH 13.01900 C ! CE1 carbon in histidine ring E&H -MASS 195 CQ66 12.01100 C ! Third adjacent pair of CR66 types in fused rings -MASS 25 CR55 12.01100 C ! Aromatic carbon-merged five membered rings -MASS 26 CR56 12.01100 C ! Aromatic carbon-merged five/six membered rings -MASS 249 CW 12.01100 C ! Aromatic carbon-merged five/six membered rings -MASS 27 CR66 12.01100 C ! Aromatic carbon-merged six membered rings -MASS 196 CS66 12.01100 C ! Second adjacent pair of CR66 types in fused rings -MASS 10 CT 12.01100 C ! Aliphatic carbon (tetrahedral) -MASS 191 CT3 12.01100 C ! in 3-membered aliphatic ring, usually tetrahedral -MASS 193 CT4 12.01100 C ! in 4-membered aliphatic ring, usually tetrahedral -MASS 16 CUA1 12.01100 C ! Carbon in double bond, first pair -MASS 17 CUA2 12.01100 C ! Carbon in double bond, second conjugated pair -MASS 20 CUA3 12.01100 C ! Carbon in double bond, third conjugated pair -MASS 18 CUY1 12.01100 C ! Carbon in triple bond, first pair -MASS 19 CUY2 12.01100 C ! Carbon in triple bond, second conjugated pair -MASS 1 H 1.00800 H ! Hydrogen bonding hydrogen (neutral group) -MASS 3 HA 1.00800 H ! Aliphatic or aromatic hydrogen -MASS 2 HC 1.00800 H ! Hydrogen bonding hydrogen (charged group) -MASS 168 HE 4.00260 He ! Helium -MASS 9 HMU 1.00800 H ! Mu-bonded hydrogen for metals and boron-hydride -MASS 8 HO 1.00800 H ! Hydrogen on an alcohol oxygen -MASS 4 HT 1.00800 H ! TIPS3P water model hydrogen -MASS 171 KR 83.80 Kr ! Krypton -MASS 5 LP 0.0 ! ST2 lone pair -MASS 31 N 14.00670 N ! Nitrogen; planar-valence of 3, i.e. nitrile, etc. -MASS 235 NH1 14.00670 N ! Nitrogen; planar-valence of 3 E&H - peptide -MASS 236 NH2 14.00670 N ! Nitrogen; planar-valence of 3 E&H - amide -MASS 241 NH3 14.00670 N ! Nitrogen; E&H - amino -MASS 245 NPX 14.00670 N ! Proline nitrogen, or similar E&H -MASS 234 N3 14.00670 N ! Nitrogen in a three membered ring -MASS 34 N5R 14.00670 N ! Nitrogen in a five membered aromatic ring -MASS 30 N5RP 14.00670 N ! for Ar-Ar bond between five membered rings -MASS 35 N6R 14.00670 N ! Nitrogen in a six membered aromatic ring -MASS 39 N6RP 14.00670 N ! for Aryl-Aryl bond between six membered rings -MASS 37 NC 14.00670 N ! Charged guanidinium-type nitrogen -MASS 186 NC2 14.00670 N ! for neutral guanidinium group - Arg sidechain -MASS 169 NE 20.179 Ne ! Neon -MASS 38 NO2 14.00670 N ! Nitrogen in nitro, or related, group -MASS 32 NP 14.00670 N ! Nitrogen in peptide, amide, or related, group -MASS 183 NR1 14.00670 N ! Protonated nitrogen in neutral histidine ring -MASS 184 NR2 14.00670 N ! Unprotonated nitrogen in neutral histidine ring -MASS 185 NR3 14.00670 N ! Nitrogens in charged histidine ring -MASS 182 NR55 14.00670 N ! N at fused bond between two 5-membered aromatics -MASS 180 NR56 14.00670 N ! N at fused bond between 5 and 6-membered aryls -MASS 181 NR66 14.00670 N ! N at fused bond between two 6-membered aromatics -MASS 36 NT 14.00670 N ! Nitrogen (tetrahedral), i.e. Amine, etc. -MASS 33 NX 14.00670 N ! Proline nitrogen, or similar -MASS 40 O 15.99940 O ! Carbonyl oxygen for amides, or related structures -MASS 56 O2M 15.99940 O ! Oxygen in Si-O-Al or Al-O-Al bond -MASS 52 O5R 15.99940 O ! Oxygen in 5 membered aromatic ring-radicals, etc. -MASS 53 O6R 15.99940 O ! Oxygen in 6 membered aromatic ring-radicals, etc. -MASS 41 OA 15.99940 O ! Carbonyl oxygen for aldehydes, or related -MASS 51 OAC 15.99940 O ! Carbonyl oxygen for acids, or related -MASS 43 OC 15.99940 O ! Charged oxygen -MASS 50 OE 15.99940 O ! Ether oxygen / Acetal oxygen -MASS 47 OH2 15.99940 O ! ST2 water model oxygen -MASS 42 OK 15.99940 O ! Carbonyl oxygen for ketones, or related -MASS 48 OM 15.99940 O ! Carbonmonoxide, or other triply bonded, oxygen -MASS 49 OS 15.99940 O ! Ester oxygen -MASS 57 OSH 0.00000 O ! Massless O for zeolites, or related cage cmpds. -MASS 55 OSI 15.99940 O ! Oxygen in Si-O-Si bond -MASS 45 OT 15.99940 O ! Hydroxyl oxygen (tetrahedral) or Ionizable acid -MASS 247 OH1 15.99940 O ! Hydroxyl oxygen (tetrahedral) E&H -MASS 46 OW 15.99940 O ! TIP3P water model oxygen -MASS 64 P6R 30.9738 P ! Phosphorous in aromatic 6-membered ring -MASS 61 PO3 30.9738 P ! Phosphorous bonded to three oxygens -MASS 62 PO4 30.9738 P ! Phosphorous bonded to four oxygens -MASS 60 PT 30.9738 P ! Phosphorous, general; usually tetrahedral -MASS 63 PUA1 30.9738 P ! Phosphorous double bond -MASS 233 PUY1 30.9738 P ! Triple bonded phosphorus -MASS 173 RN 222.0 Rn ! Radon -MASS 72 S5R 32.0600 S ! Sulphur in a five membered aromatic ring -MASS 73 S6R 32.0600 S ! Sulphur in a six membered aromatic ring -MASS 74 SE 32.060 S ! Thioether sulphur -MASS 242 SM 32.060 S ! Thioether sulphur E&H -MASS 253 S 32.060 S ! Thioether sulphur E&H -MASS 71 SH1E 33.06800 S ! Extended atom sulphur with one hydrogen -MASS 75 SK 32.060 S ! Thioketone sulphur -MASS 76 SO1 32.0600 S ! Sulphur bonded to one oxygen -MASS 77 SO2 32.0600 S ! Sulphur bonded to two oxygens -MASS 78 SO3 32.0600 S ! Sulphur bonded to three oxygens -MASS 79 SO4 32.0600 S ! Sulphur bonded to four oxygens -MASS 70 ST 32.06000 S ! Sulphur, general; usually tetrahedral -MASS 131 XAT 210.0 At ! Astatine -MASS 94 XBR 79.904 Br ! Bromine -MASS 93 XCL 35.45300 Cl ! Chlorine -MASS 172 XE 131.29 Xe ! Xenon -MASS 92 XF 18.99840 F ! Fluorine -MASS 95 XI 126.9045 I ! Iodine -MASS 126 MAC 227.0278 Ac ! Actinium -MASS 111 MAG 107.868 Ag ! Silver -MASS 91 MAL 26.9815 Al ! ALuminum -MASS 159 MAM 243.0 Am ! Americium -MASS 101 MAS 74.9216 As ! Arsenic -MASS 119 MAU 196.08 Au ! Gold -MASS 115 MBA 137.33 Ba ! Barium -MASS 6 MBE 9.01218 Be ! Beryllium -MASS 122 MBI 208.9804 Bi ! Bismuth -MASS 161 MBK 247.0 Bk ! Berkelium -MASS 84 MCA 40.080 Ca ! Calcium -MASS 112 MCD 112.41 Cd ! Cadmium -MASS 124 MCE 140.12 Ce ! Cerium -MASS 162 MCF 251.0 Cf ! Californium -MASS 160 MCM 247.0 Cm ! Curium -MASS 99 MCO 58.9332 Co ! Cobalt -MASS 98 MCR 51.996 Cr ! Chromium -MASS 89 MCS 132.9054 Cs ! Cesium -MASS 96 MCU 63.546 Cu ! Copper -MASS 150 MDY 162.50 Dy ! Dysprosium -MASS 152 MER 167.26 Er ! Erbium -MASS 163 MES 252.0 Es ! Einsteinium -MASS 147 MEU 151.96 Eu ! Europium -MASS 164 MFM 257.0 Fm ! Fermium -MASS 86 FE 55.847 Fe ! Iron -MASS 142 MFR 223.0 Fr ! Francium -MASS 135 MGA 69.72 Ga ! Gallium -MASS 148 MGD 157.25 Gd ! Gadolinium -MASS 136 MGE 72.59 Ge ! Germanium -MASS 175 MHA 262.0 Ha ! Hahnium -MASS 138 MHF 178.49 Hf ! Hafnium -MASS 120 MHG 200.59 Hg ! Mercury -MASS 151 MHO 164.9304 Ho ! Holmium -MASS 137 MIN 114.82 In ! Indium -MASS 140 MIR 192.22 Ir ! Iridium -MASS 83 MK 39.098 K ! Potassium -MASS 123 MLA 138.9055 La ! Lanthanum -MASS 80 MLI 6.941 Li ! Lithium -MASS 167 MLR 260.0 Lr ! Lawrencium -MASS 155 MLU 174.967 Lu ! Lutetium -MASS 165 MMD 258.0 Md ! Medelevium -MASS 82 MMG 24.305 Mg ! Magnesium -MASS 85 MMN 54.938 Mn ! Manganese -MASS 107 MMO 95.94 Mo ! Molybdenum -MASS 81 MNA 22.9898 Na ! Sodium -MASS 106 MNB 92.9064 Nb ! Niobium -MASS 144 MND 144.24 Nd ! Neodymium -MASS 100 MNI 58.69 Ni ! Nickel -MASS 166 MNO 259.0 No ! Nobelium -MASS 157 MNP 237.0482 Np ! Neptunium -MASS 117 MOS 190.2 Os ! Osmium -MASS 156 MPA 231.0359 Pa ! Protactinium -MASS 121 MPB 207.2 Pb ! Lead -MASS 110 MPD 106.42 Pd ! Palladium -MASS 145 MPM 145.0 Pm ! Promethium -MASS 130 MPO 209.0 Po ! Polonium -MASS 125 MPR 140.9077 Pr ! Praseodymium -MASS 118 MPT 195.08 Pt ! Platinum -MASS 158 MPU 244.0 Pu ! Plutonium -MASS 143 MRA 226.0254 Ra ! Radium -MASS 88 MRB 85.4678 Rb ! Rubidium -MASS 176 MRE 186.31 Re ! Rhenium -MASS 174 MRF 261.0 Rf ! Rutherfordium/Kurchatovium -MASS 109 MRH 102.9055 Rh ! Rhodium -MASS 108 MRU 101.07 Ru ! Ruthenium -MASS 114 MSB 121.75 Sb ! Antimony -MASS 133 MSC 44.9559 Sc ! Scandium -MASS 102 MSE 78.96 Se ! Selenium -MASS 90 MSI 28.0855 Si ! Silicon -MASS 177 MSIU 28.08550 Si ! Silicon when as double bond -MASS 146 MSM 150.36 Sm ! Samarium -MASS 113 MSN 118.69 Sn ! Tin -MASS 103 MSR 87.62 Sr ! Strontium -MASS 139 MTA 180.9479 Ta ! Tantalum -MASS 149 MTB 158.9254 Tb ! Terbium -MASS 132 MTC 98.0 Tc ! Technetium -MASS 129 MTE 127.60 Te ! Tellurium -MASS 127 MTH 232.0381 Th ! Thorium -MASS 134 MTI 47.88 Ti ! Titanium -MASS 141 MTL 204.383 Tl ! Thallium -MASS 153 MTM 168.9342 Tm ! Thulium -MASS 128 MU 238.0289 U ! Uranium -MASS 97 MV 50.9415 V ! Vanadium -MASS 116 MW 183.85 W ! Tungsten -MASS 104 MY 88.9059 Y ! Yttrium -MASS 154 MYB 173.04 Yb ! Ytterbium -MASS 87 MZN 65.38 Zn ! Zinc -MASS 105 MZR 91.22 Zr ! Zirconium - -DECL -CA -DECL -C -DECL -O -DECL -N -DECL +N -DECL +H -DECL +CA -DECL +CB -DECL +CG -DECL +CD -DECL +CE -DECL +CZ - - - -AUTOGENERATE ANGLES DIHE -DEFA FIRS NTER LAST CTER - -RESI ZN2 2.00 ! Zinc ion -GROUP -ATOM ZN MZN 2.00 -PATCHING FIRST NONE LAST NONE - -RESI ZN 2.00 ! Zinc ion, alt -GROUP -ATOM ZN MZN 2.00 -PATCHING FIRST NONE LAST NONE - -RESI CAL 2.00 ! Calcium ion -GROUP -ATOM CAL MCA 2.00 -PATCHING FIRST NONE LAST NONE - -RESI CA 2.00 ! Calcium ion, alt -GROUP -ATOM CA MCA 2.00 -PATCHING FIRST NONE LAST NONE - -! -! The following residue definitions comprise the 20 naturally occurring -! amino acids -! - -RESI ALA 0.00 ! Alanine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH3E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 - -RESI ARG 1.00 ! Arginine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM CD CH2E 0.10 -ATOM NE NP -0.40 -ATOM HE H 0.30 -ATOM CZ C 0.50 -GROU -ATOM NH1 NC -0.45 -ATOM HH11 HC 0.35 -ATOM HH12 HC 0.35 -GROU -ATOM NH2 NC -0.45 -ATOM HH21 HC 0.35 -ATOM HH22 HC 0.35 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD NE NE HE -BOND NE CZ CZ NH1 CZ NH2 NH1 HH11 NH1 HH12 -BOND NH2 HH21 NH2 HH22 -IMPH N -C CA H C CA +N O CA N C CB -IMPH NE CD CZ HE CZ NH1 NH2 NE NH1 HH12 HH11 CZ -IMPH NH2 HH22 HH21 CZ -DONO H N -DONO HE NE -DONO HH11 NH1 -DONO HH12 NH1 -DONO HH21 NH2 -DONO HH22 NH2 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD NE CZ 0.0000 0.00 180.00 0.00 0.0000 -IC CD NE CZ NH1 0.0000 0.00 180.00 0.00 0.0000 -IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 -IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 -IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 -IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 -IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 -IC HH21 CZ *NH2 HH22 0.0000 0.00 180.00 0.00 0.0000 - -RESI ARGN 0.00 ! Neutral arginine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM CD CH2E 0.10 -ATOM NE NP -0.40 -ATOM HE H 0.30 -ATOM CZ C -0.20 -GROU -ATOM NH1 NC -0.45 -ATOM HH11 HC 0.35 -ATOM HH12 HC 0.35 -GROU -ATOM NH2 NC -0.30 -ATOM HH21 HC 0.25 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD NE NE HE -BOND NE CZ CZ NH1 CZ NH2 NH1 HH11 NH1 HH12 -BOND NH2 HH21 -IMPH N -C CA H C CA +N O CA N C CB -IMPH NE CD CZ HE CZ NH1 NH2 NE NH1 HH12 HH11 CZ -DONO H N -DONO HE NE -DONO HH11 NH1 -DONO HH12 NH1 -DONO HH21 NH2 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD NE CZ 0.0000 0.00 180.00 0.00 0.0000 -IC CD NE CZ NH1 0.0000 0.00 180.00 0.00 0.0000 -IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 -IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 -IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 -IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 -IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 - -RESI ASN 0.00 ! Asparagine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG C 0.55 -ATOM OD1 O -0.55 -GROU -ATOM ND2 NP -0.60 -ATOM HD21 H 0.30 -ATOM HD22 H 0.30 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG OD1 CG ND2 ND2 HD21 -BOND ND2 HD22 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG OD1 ND2 CB ND2 HD21 HD22 CG -! inverted for new IMPH rules -! IMPH CG ND2 CB OD1 ND2 HD21 HD22 CG -DONO H N -DONO HD21 ND2 -DONO HD22 ND2 -ACCE OD1 CG -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 -IC OD1 CB *CG ND2 0.0000 0.00 180.00 0.00 0.0000 -IC OD1 CG ND2 HD21 0.0000 0.00 180.00 0.00 0.0000 -IC HD21 CG *ND2 HD22 0.0000 0.00 180.00 0.00 0.0000 - -RESI ASP -1.00 ! Aspartic acid -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG C 0.14 -ATOM OD1 OC -0.57 -ATOM OD2 OC -0.57 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG OD1 CG OD2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG OD1 OD2 CB -DONO H N -ACCE OD1 CG -ACCE OD2 CG -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 -IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 - - -RESI ASPH 0.00 ! Aspartic acid - Protonated -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG C 0.70 -ATOM OD1 OAC -0.55 -ATOM OD2 OT -0.40 -ATOM HD H 0.25 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG OD1 CG OD2 OD2 HD -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG OD1 OD2 CB -DONO H N -DONO HD OD2 -ACCE OD1 CG -ACCE OD2 CG -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG OD1 0.0000 0.00 90.00 0.00 0.0000 -IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG OD2 HD 0.0000 0.00 180.00 0.00 0.0000 - -RESI CYS 0.00 ! Cysteine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.19 -ATOM SG SH1E -0.19 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB SG -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB SG 0.0000 0.00 -170.00 0.00 0.0000 -IC C CA CB SG 0.0000 0.00 65.00 0.00 0.0000 - -RESI GLN 0.00 ! Glutamine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM CD C 0.55 -ATOM OE1 O -0.55 -GROU -ATOM NE2 NP -0.60 -ATOM HE21 H 0.30 -ATOM HE22 H 0.30 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD OE1 CD NE2 -BOND NE2 HE21 NE2 HE22 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CD OE1 NE2 CG NE2 HE21 HE22 CD -! inverted for new IMPH rules -! IMPH CD NE2 CG OE1 NE2 HE21 HE22 CD -DONO H N -DONO HE21 NE2 -DONO HE22 NE2 -ACCE OE1 CD -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 -IC OE1 CG *CD NE2 0.0000 0.00 180.00 0.00 0.0000 -IC OE1 CD NE2 HE21 0.0000 0.00 180.00 0.00 0.0000 -IC HE21 CD *NE2 HE22 0.0000 0.00 180.00 0.00 0.0000 - -RESI GLU -1.00 ! Glutamic acid -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG CH2E 0.00 -ATOM CD C 0.14 -ATOM OE1 OC -0.57 -ATOM OE2 OC -0.57 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD OE1 CD OE2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CD OE1 OE2 CG -DONO H N -ACCE OE1 CD -ACCE OE2 CD -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 -IC OE1 CG *CD OE2 0.0000 0.00 180.00 0.00 0.0000 - -RESI GLUH 0.00 ! Glutamic acid-Protonated -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG CH2E 0.00 -ATOM CD C 0.70 -ATOM OE1 OAC -0.55 -ATOM OE2 OT -0.40 -ATOM HE H 0.25 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD OE1 CD OE2 -BOND OE2 HE -IMPH N -C CA H C CA +N O CA N C CB -IMPH CD OE2 OE1 CG -DONO H N -DONO HE OE2 -ACCE OE1 CD -ACCE OE2 CD -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD OE2 0.0000 0.00 180.00 0.00 0.0000 -IC OE2 CG *CD OE1 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD OE2 HE 0.0000 0.00 180.00 0.00 0.0000 - -RESI GLY 0.00 ! Glycine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH2E 0.10 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -IMPH N -C CA H C CA +N O -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -PATC FIRS GLYP LAST CGLY - -RESI HIS 0.00 ! Histidine (uncharged with proton on nd1) -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROUP -ATOM CG C5R 0.10 -ATOM ND1 N5R -0.40 -ATOM HD1 H 0.30 -GROU -ATOM CD2 C5RE 0.10 -ATOM NE2 N5R -0.40 -ATOM CE1 C5RE 0.30 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG ND1 CG CD2 ND1 HD1 -BOND ND1 CE1 CD2 NE2 CE1 NE2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 -IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 -IMPH CD2 CG ND1 CE1 -DONO H N -DONO HD1 ND1 -ACCE NE2 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 -IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 -IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 - -RESI ILE 0.00 ! Isoleucine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH1E 0.00 -ATOM CG2 CH3E 0.00 -GROU -ATOM CG1 CH2E 0.00 -ATOM CD1 CH3E 0.00 !DB changed to CD1 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG1 CB CG2 CG1 CD1 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CB CG1 CG2 CA -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG1 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG1 CD1 0.0000 0.00 180.00 0.00 0.0000 -IC CG1 CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 - -RESI LEU 0.00 ! Leucine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH1E 0.00 -ATOM CD1 CH3E 0.00 -ATOM CD2 CH3E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD1 CG CD2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG CD2 CD1 CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD1 0.0000 0.00 180.00 0.00 0.0000 -IC CD1 CB *CG CD2 0.0000 0.00 120.00 0.00 0.0000 - -RESI LYS 1.00 ! Lysine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -ATOM CD CH2E 0.00 -GROU -ATOM CE CH2E 0.25 -ATOM NZ NT -0.30 -ATOM HZ1 HC 0.35 -ATOM HZ2 HC 0.35 -ATOM HZ3 HC 0.35 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD CE CE NZ -BOND NZ HZ1 NZ HZ2 NZ HZ3 -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -DONO HZ1 NZ -DONO HZ2 NZ -DONO HZ3 NZ -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 -IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 -IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 -IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 - -RESI LYSN 0.00 ! Neutral Lysine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -ATOM CD CH2E 0.00 -GROU -ATOM CE CH2E 0.00 -ATOM NZ NT -0.30 -ATOM HZ1 H 0.15 -ATOM HZ2 H 0.15 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD CE CE NZ -BOND NZ HZ1 NZ HZ2 -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -DONO HZ1 NZ -DONO HZ2 NZ -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 -IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 -IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 - -RESI MET 0.00 ! Methionine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG CH2E 0.06 -ATOM SD SE -0.12 -ATOM CE CH3E 0.06 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG SD SD CE -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG SD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG SD CE 0.0000 0.00 180.00 0.00 0.0000 - -RESI PHE 0.00 ! Phenylalanine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG C6R 0.00 -ATOM CD1 C6RE 0.00 -ATOM CD2 C6RE 0.00 -GROU -ATOM CE1 C6RE 0.00 -ATOM CE2 C6RE 0.00 -ATOM CZ C6RE 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD1 CG CD2 CD1 CE1 -BOND CD2 CE2 CE1 CZ CE2 CZ -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG CD1 CE1 CZ CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 -IMPH CZ CE2 CD2 CG CE2 CD2 CG CD1 CD2 CG CD1 CE1 -IMPH CG CD1 CD2 CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 -IC CA CB CG CD1 0.0000 0.00 90.00 0.00 0.0000 -IC CD1 CB *CG CD2 0.0000 0.00 180.00 0.00 0.0000 -IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 -IC CD2 CG CD1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.00 0.0000 - -RESI PRO 0.00 ! Proline -GROU -ATOM N NX -0.25 -ATOM CD CH2E 0.10 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N CD -BOND CA CB CB CG CG CD -IMPH N -C CA CD C CA +N O CA N C CB -ACCE O C -IC -C CA *N CD 0.0000 0.00 180.00 108.00 0.0000 -IC -C N CA C 0.0000 0.00 -75.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 -IC CA CB CG CD 0.0000 0.00 0.00 108.00 0.0000 !DB fix -PATC FIRS PROP - -RESI SER 0.00 ! Serine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.25 -ATOM OG OT -0.65 -ATOM HG HO 0.40 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB OG OG HG -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -DONO HG OG -ACCE OG -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB OG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB OG HG 0.0000 0.00 180.00 0.00 0.0000 - - -RESI SEP -2.00 ! Phosphoserine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM OG OS -0.40 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -GROU -ATOM P PO4 1.10 -ATOM O1P OC -0.90 -ATOM O2P OC -0.90 -ATOM O3P OC -0.90 -BOND N CA CA C C +N C O N H -BOND CA CB CB OG OG P -BOND P O1P P O2P P O3P -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -ACCE OG -ACCE O C -ACCE O1P O2P -ACCE O3P -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB OG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB OG P 0.0000 0.00 180.00 0.00 0.0000 -IC CB OG P O1P 0.0000 0.00 0.0 0.00 0.0000 -IC CB OG P O2P 0.0000 0.00 0.0 0.00 0.0000 -IC CB OG P O3P 0.0000 0.00 0.0 0.00 0.0000 - -RESI THR 0.00 ! Threonine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH1E 0.25 -ATOM OG1 OT -0.65 -ATOM HG1 HO 0.40 -GROU -ATOM CG2 CH3E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB OG1 CB CG2 OG1 HG1 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CB OG1 CG2 CA -DONO H N -DONO HG1 OG1 -ACCE OG1 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB OG1 0.0000 0.00 180.00 0.00 0.0000 -IC OG1 CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 -IC CA CB OG1 HG1 0.0000 0.00 180.00 0.00 0.0000 - -RESI TRP 0.00 ! Tryptophan -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG C5R -0.03 -ATOM CD2 CR56 0.10 -ATOM CE2 CR56 -0.04 -ATOM CE3 C6RE -0.03 -GROU -ATOM CD1 C5RE 0.06 -ATOM NE1 N5R -0.36 -ATOM HE1 H 0.30 -GROU -ATOM CZ2 C6RE 0.00 -ATOM CZ3 C6RE 0.00 -ATOM CH2 C6RE 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD1 CG CD2 CD1 NE1 -BOND CD2 CE2 NE1 HE1 NE1 CE2 CD2 CE3 CE2 CZ2 -BOND CE3 CZ3 CZ2 CH2 CZ3 CH2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG CD1 CD2 CB NE1 CD1 CE2 HE1 CD2 CE2 CZ2 CH2 -IMPH CE2 CZ2 CH2 CZ3 CZ2 CH2 CZ3 CE3 CH2 CZ3 CE3 CD2 -IMPH CZ3 CE3 CD2 CE2 CE3 CD2 CE2 CZ2 CG CD1 NE1 CE2 -IMPH CD1 NE1 CE2 CD2 NE1 CE2 CD2 CG CE2 CD2 CG CD1 -IMPH CD2 CG CD1 NE1 CD2 CG CE3 CE2 CE2 NE1 CZ2 CD2 -DONO H N -DONO HE1 NE1 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 -IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 -IC CD2 CB *CG CD1 0.0000 0.00 180.00 0.00 0.0000 -IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 -IC CD2 CG CD1 NE1 0.0000 0.00 0.00 0.00 0.0000 -IC CE2 CD1 *NE1 HE1 0.0000 0.00 180.00 0.00 0.0000 -IC CE2 CG *CD2 CE3 0.0000 0.00 180.00 0.00 0.0000 -IC CE2 CD2 CE3 CZ3 0.0000 0.00 0.00 0.00 0.0000 -IC CE3 CD2 CE2 CZ2 0.0000 0.00 0.00 0.00 0.0000 -IC CD2 CE2 CZ2 CH2 0.0000 0.00 0.00 0.00 0.0000 - -RESI TYR 0.00 ! Tyrosine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG C6R 0.00 -GROU -ATOM CD1 C6RE 0.00 -ATOM CE1 C6RE 0.00 -GROU -ATOM CD2 C6RE 0.00 -ATOM CE2 C6RE 0.00 -GROU -ATOM CZ C6R 0.25 -ATOM OH OT -0.65 -ATOM HH HO 0.40 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD1 CG CD2 CD1 CE1 -BOND CD2 CE2 CE1 CZ CE2 CZ CZ OH OH HH -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG CD1 CD2 CB CZ CE1 CE2 OH CG CD1 CE1 CZ -IMPH CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 CZ CE2 CD2 CG -IMPH CE2 CD2 CG CD1 CD2 CG CD1 CE1 -DONO H N -DONO HH OH -ACCE OH -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 240.00 0.00 0.0000 -IC CA CB CG CD1 0.0000 0.00 90.00 0.00 0.0000 -IC CD1 CB *CG CD2 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG CD1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 -IC CG CD1 CE1 CZ 0.0000 0.00 0.00 0.00 0.0000 -IC CE2 CE1 *CZ OH 0.0000 0.00 180.00 0.00 0.0000 -IC CE1 CZ OH HH 0.0000 0.00 180.00 0.00 0.0000 - -RESI VAL 0.00 ! Valine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH1E 0.00 -ATOM CG1 CH3E 0.00 -ATOM CG2 CH3E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG1 CB CG2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CB CG2 CG1 CA -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG1 0.0000 0.00 180.00 0.00 0.0000 -IC CG1 CA *CB CG2 0.0000 0.00 120.00 0.00 0.0000 - -RESI HSC 1.00 ! Protonated HIS -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.10 -ATOM CG C5R 0.15 -ATOM CD2 C5RE 0.20 -GROU -ATOM ND1 N5R -0.30 -ATOM HD1 H 0.35 -GROU -ATOM CE1 C5RE 0.45 -GROU -ATOM NE2 N5R -0.30 -ATOM HE2 H 0.35 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG ND1 CG CD2 ND1 HD1 -BOND ND1 CE1 CD2 NE2 CE1 NE2 NE2 HE2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 -IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 -IMPH CD2 CG ND1 CE1 NE2 CD2 CE1 HE2 -DONO H N -DONO HD1 ND1 -DONO HE2 NE2 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 -IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 -IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 -IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 - -RESI HSD 0.00 ! Histidine isomer ( proton at ne2 ) -GROUP -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROUP -ATOM CG C5R 0.10 -ATOM ND1 N5R -0.40 -ATOM CE1 C5RE 0.30 -GROU -ATOM CD2 C5RE 0.10 -ATOM NE2 N5R -0.40 -ATOM HE2 H 0.30 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG ND1 CG CD2 ND1 CE1 -BOND CD2 NE2 CE1 NE2 NE2 HE2 -IMPH N -C CA H C CA +N O CA N C CB -IMPH CG ND1 CD2 CB NE2 CE1 CD2 HE2 CG ND1 CE1 NE2 -IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 -IMPH CD2 CG ND1 CE1 -DONO H N -DONO HE2 NE2 -ACCE ND1 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD2 0.0000 0.00 90.00 0.00 0.0000 -IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 -IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 - -RESI ACE 0.00 -GROUP -ATOM C C 0.55 -ATOM O O -0.55 -ATOM CH3 CH3E 0.00 -BOND CH3 C C O C +N -IMPH C CH3 +N O -IC CH3 C +N +CA 0.00 0.00 180.00 0.00 0.00 -IC CH3 +N *C O 0.00 0.00 180.00 0.00 0.00 -PATCH FIRST NONE - -RESI PCA 0.00 -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CD C 0.55 -ATOM OE O -0.55 -GROU -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N CD -BOND CA CB CB CG CG CD -BOND N H CD OE -IMPH N -C CA CD C CA +N O CA N C CB -IMPH CD N CG OE -ACCE O C -ACCE OE CD -IC -C CA *N CD 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 -75.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 -IC CA CB CG CD 0.0000 0.00 0.00 108.00 0.0000 -IC CA CD *N H 0.0000 0.00 180.00 0.00 0.0000 -IC N CG *CD OE 0.0000 0.00 180.00 0.00 0.0000 -PATC FIRS NONE LAST NONE - -RESI HYL 1.00 ! Hydroxylysine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM CD CH1E 0.25 -ATOM OD2 OT -.65 -ATOM HD2 HO 0.40 -GROU -ATOM CE CH2E 0.25 -ATOM NZ NT -0.30 -ATOM HZ1 HC 0.35 -ATOM HZ2 HC 0.35 -ATOM HZ3 HC 0.35 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD CE CE NZ -BOND NZ HZ1 NZ HZ2 NZ HZ3 CD OD2 OD2 HD2 -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -DONO HZ1 NZ -DONO HZ2 NZ -DONO HZ3 NZ -DONO HD2 OD2 -ACCE OD2 -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD CE 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD CE NZ 0.0000 0.00 180.00 0.00 0.0000 -IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 -IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 -IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 -IC CE CG *CD OD2 0.0000 0.00 240.00 0.00 0.0000 -IC CG CD OD2 HD2 0.0000 0.00 180.00 0.00 0.0000 - -RESI HYP 0.00 ! Hydroxyproline -GROU -ATOM N NX -0.25 -ATOM CD1 CH2E 0.10 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH1E 0.25 -ATOM OD2 OT -.65 -ATOM HD21 HO 0.40 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N CD1 -BOND CA CB CB CG CG CD1 CG OD2 OD2 HD21 -IMPH N -C CA CD1 C CA +N O CA N C CB -IMPH CG CB CD1 OD2 -ACCE O C -ACCE OD2 -IC -C CA *N CD1 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 -60.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC C N *CA CB 0.0000 0.00 -120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 -IC CB CG OD2 HD21 0.0000 0.00 180.00 0.00 0.0000 -IC CD1 CB *CG OD2 0.0000 0.00 240.00 0.00 0.0000 -PATC FIRS HPRP - -RESI HSE 0.00 ! Homoserine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -ATOM CB CH2E 0.00 -GROU -ATOM CG CH2E 0.25 -ATOM OD OT -0.65 -ATOM HD HO 0.40 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG OD OD HD -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -DONO HD OD -ACCE OD -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG OD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG OD HD 0.0000 0.00 180.00 0.00 0.0000 - -RESI ORN 1.00 ! Ornithine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM CD CH2E 0.25 -ATOM NE NT -0.30 -ATOM HE1 HC 0.35 -ATOM HE2 HC 0.35 -ATOM HE3 HC 0.35 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG CD CD NE -BOND NE HE1 NE HE2 NE HE3 -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -DONO HE1 NE -DONO HE2 NE -DONO HE3 NE -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG CD 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG CD NE 0.0000 0.00 180.00 0.00 0.0000 -IC CG CD NE HE1 0.0000 0.00 180.00 0.00 0.0000 -IC HE1 CD *NE HE2 0.0000 0.00 120.00 0.00 0.0000 -IC HE2 CD *NE HE3 0.0000 0.00 120.00 0.00 0.0000 - -RESI PEN 0.00 ! Penicillamine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CT 0.19 -ATOM CG1 CH3E 0.0 -ATOM CG2 CH3E 0.0 -ATOM SG SH1E -0.19 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB SG CB CG1 CB CG2 -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB SG 0.0000 0.00 180.00 0.00 0.0000 -IC SG CA *CB CG1 0.0000 0.00 120.00 0.00 0.0000 -IC SG CA *CB CG2 0.0000 0.00 -120.00 0.00 0.0000 - -RESI ALB 0.00 ! Beta alanine or 3-amino propionic acid -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH2E 0.10 -ATOM CB CH2E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CB C C +N C O N H -BOND CA CB -IMPH N -C CA H C CB +N O -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA CB 0.0000 0.00 180.00 0.00 0.0000 -IC N CA CB C 0.0000 0.00 180.00 0.00 0.0000 -IC +N CB *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB C +N 0.0000 0.00 180.00 0.00 0.0000 -IC CB C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -PATCH FIRS GLYP - -RESI ABU 0.00 ! Gamma amino butyric acid or 4-amino butyric acid -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH2E 0.10 -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CG C C +N C O N H -BOND CA CB CB CG -IMPH N -C CA H C CG +N O -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA CB 0.0000 0.00 180.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG C 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CG *C O 0.0000 0.00 180.00 0.00 0.0000 -IC CG C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -PATC FIRS GLYP - -! -! Water models -! - -RESI ST2 .000 ! NOW INCLUDES THE LONE PAIRS GIVING 5 ATOMS FOR ST2 -GROUP -ATOM OX2 OH2 .00 -ATOM HX1 H .24 -ATOM HX2 H .24 -ATOM LX1 LP -.24 -ATOM LX2 LP -.24 -BOND OX2 HX1 OX2 HX2 -BOND OX2 LX1 OX2 LX2 -! NOTE: NO DONORS OR ACCEPTORS FOR ST2 -PATC FIRS NONE LAST NONE - -RESI TIP3 .000 ! TIPS3P WATER MODEL -GROUP -ATOM OH2 OW -0.834 -ATOM H1 HT 0.417 -ATOM H2 HT 0.417 -BOND OH2 H1 OH2 H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE -ANGL H1 OH2 H2 -!ACCE OH2 -PATC FIRS NONE LAST NONE - -RESI OH2 .000 ! WATER -GROUP -ATOM OH2 OW -0.834 -ATOM H1 HT 0.417 -ATOM H2 HT 0.417 -BOND OH2 H1 OH2 H2 -ACCE OH2 -PATC FIRS NONE LAST NONE - -RESI HOH 0.0000 ! TIPS3P WATER MODEL FOR PDB CRYSTAL WATERS -GROUP -ATOM O OW -0.834 -ATOM H1 HT 0.417 -ATOM H2 HT 0.417 -BOND O H1 O H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE -ANGL H1 O H2 -!ACCE O -PATC FIRS NONE LAST NONE - -RESI WAT 0.0000 ! TIPS3P WATER MODEL FOR PDB CRYSTAL WATERS -GROUP -ATOM O OW -0.834 -ATOM H1 HT 0.417 -ATOM H2 HT 0.417 -BOND O H1 O H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE -ANGL H1 O H2 -!ACCE O -PATC FIRS NONE LAST NONE - -! The following patches generate NH3+ and COO- on the N and C terminal ends - -PRES NTER 0.95 -! This patch is used to provide a charged NH3+ group for the N-terminal -! This patch will NOT work with a GLY or PRO as the first residue (use -! GLYP or PROP, respectively) -! This patch will NOT work dehydro amino acids as the first residue -! (use NTRU) -GROU -ATOM N NT -0.30 -ATOM HT1 HC 0.35 -ATOM HT2 HC 0.35 -ATOM HT3 HC 0.35 -DELE ATOM H -ATOM CA CH1E 0.20 -BOND HT1 N HT2 N HT3 N -DONO HT1 N -DONO HT2 N -DONO HT3 N -IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC HT1 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 -IC HT1 CA *N HT3 0.0000 0.00 240.00 0.00 0.0000 - -PRES NTRA 0.95 -! This patch is used to provide a charged NH3+ group for the N-terminal -! with angle definitions. -! This patch will NOT work with a GLY or PRO as the first residue (use -! GLYP or PROP, respectively) -! This patch will NOT work dehydro amino acids as the first residue -! (use NTRU) -GROU -ATOM N NT -0.30 -ATOM HT1 HC 0.35 -ATOM HT2 HC 0.35 -ATOM HT3 HC 0.35 -DELE ATOM H -ATOM CA CH1E 0.20 -BOND HT1 N HT2 N HT3 N -ANGLE HT1 N CA HT2 N CA HT3 N CA -ANGLE HT1 N HT2 HT2 N HT3 HT3 N HT1 -DIHE HT1 N CA C HT1 N CA HA HT1 N CA CB -DIHE HT2 N CA C HT2 N CA HA HT2 N CA CB -DIHE HT3 N CA C HT3 N CA HA HT3 N CA CB -DONO HT1 N -DONO HT2 N -DONO HT3 N -IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC HT1 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 -IC HT1 CA *N HT3 0.0000 0.00 240.00 0.00 0.0000 - -PRES GLYP 0.95 -! N-terminus for glycine -GROUP -ATOM N NT -0.30 -ATOM HT1 HC 0.35 -ATOM HT2 HC 0.35 -ATOM HT3 HC 0.35 -DELETE ATOM H -ATOM CA CH2E 0.20 -BOND HT1 N HT2 N HT3 N -!DIHE HT1 N CA C -DONO HT1 N -DONO HT2 N -DONO HT3 N -IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC HT2 CA *N HT1 0.0000 0.00 60.00 0.00 0.0000 -IC HT3 CA *N HT2 0.0000 0.00 -60.00 0.00 0.0000 - -PRES PROP 0.95 -! N-terminal patch for PRO -GROUP -ATOM N NT -0.20 -ATOM HT1 HC 0.35 -ATOM HT2 HC 0.35 -ATOM CD CH2E 0.25 -ATOM CA CH1E 0.20 -BOND HT1 N HT2 N -!DIHE HT1 N CA C -DONO HT1 N -DONO HT2 N -IC C CA N CD 0.0000 0.00 120.00 0.00 0.0000 -IC HT1 CA *N CD 0.0000 0.00 120.00 0.00 0.0000 -IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 - -! -! C-terminal patches -! - -PRES CTER -0.85 -! This patch is used to provide a charged COO- group for the C-terminal -GROU -ATOM C C 0.14 -ATOM O OC -0.57 -ATOM OXT OC -0.57 -ATOM CA CH1E 0.15 -BOND C OXT -!DIHE N CA C OXT -IMPH C OXT O CA -ACCE O C -ACCE OXT C -IC N CA C O 0.0 0.0 180.0 0.0 0.0 -IC CA O *C OXT 0.0 0.0 180.0 0.0 0.0 - -PRES CGLY -0.85 -!This patch is used to provide a charged COO- group to Gly C-terminal -GROUP -ATOM C C 0.14 -ATOM O OC -0.57 -ATOM OXT OC -0.57 -ATOM CA CH2E 0.15 -BOND C O C OXT -IMPH C OXT O CA -ACCE O C -ACCE OXT C -IC N CA C O 0.0 0.0 180.0 0.0 0.0 -IC CA O *C OXT 0.0 0.0 180.0 0.0 0.0 - -PRES CTRA -0.85 -! This patch is used to provide a charged COO- group for the C-terminal -! with angle definitions -GROU -ATOM CA CH1E 0.15 -ATOM C C 0.14 -ATOM O OC -0.57 -ATOM OXT OC -0.57 -BOND C OXT -ANGLE CA C OXT OXT C O -DIHE N CA C OXT N CA C O -DIHE HA CA C OXT HA CA C O -DIHE CB CA C OXT CB CA C O -IMPH C OXT O CA -ACCE O C -ACCE OXT C -IC N CA C OXT 0.0 0.0 180.0 0.0 0.0 -IC OXT CA *C O 0.0 0.0 180.0 0.0 0.0 - -! Other patches -! - -PRES DISU 0.00 -! Patch for disulphides. Patch requires two CYS residues. -GROUP -ATOM 1CB CH2E 0.19 -ATOM 1SG ST -0.19 -GROUP -ATOM 2SG ST -0.19 -ATOM 2CB CH2E 0.19 -BOND 1SG 2SG -ANGL 1CB 1SG 2SG 1SG 2SG 2CB -DIHE 1CA 1CB 1SG 2SG -DIHE 1CB 1SG 2SG 2CB -DIHE 1SG 2SG 2CB 2CA -IC 1CA 1CB 1SG 2SG 0.0 0.0 180.0 0.0 0.0 -IC 1CB 1SG 2SG 2CB 0.0 0.0 180.0 0.0 0.0 -IC 1SG 2SG 2CB 2CA 0.0 0.0 180.0 0.0 0.0 - -PRES LTOD 0.0 -! This patch converts an L-residue to a D-residue -DELE IMPR 1CA 1N 1C 1CB -IMPR 1CA 1C 1N 1CB -DELE IC N C *CA CB -IC N C *CA CB 0.00 0.00 240.00 0.00 0.00 - -! This section is from PDBPATCHA and includes PATCH residues -! for the C and N terminal ends of polypeptide chains. -! -! N-terminal patches other than the default NH3+ patch -! - -PRES NH2 -0.05 ! Deprotonated N-terminal (NH2) -DELETE ATOM HT3 -ATOM HT1 H .15 -ATOM HT2 H .15 -ATOM N NT -.35 -ATOM CA CH1E .00 ! change atom type for CA for GLY - -PRES DEAM 0.0000 ! Removes NH3 from N-terminus altogether -! ! Wont work in SEQ BUILDER ( bad seed) -DELETE ATOM HT1 -DELETE ATOM HT2 -DELETE ATOM HT3 -DELETE ATOM N -ATOM CA CH2E .00 - -PRES DCOH 0.000 ! Removes COOH from the C-terminus -! ! Not recommended for PRO or GLY -DELETE ATOM O -DELETE ATOM OXT -DELETE ATOM C -ATOM CA CH2E 0.0 -IC -C -N CA CB 0.00 0.000 -60.0 0.00 0.00 - -PRES ACCP 0.95 ! N-terminal patch for ACC residue -GROUP -ATOM N NT -.30 -ATOM HT1 HC 0.35 -ATOM HT2 HC 0.35 -ATOM HT3 HC 0.35 -DELETE ATOM H -ATOM CA CT 0.20 -BOND HT1 N HT2 N HT3 N -DIHE HT1 N CA C HT1 N CA CB1 -DIHE HT2 N CA C HT2 N CA CB1 -DIHE HT3 N CA C HT3 N CA CB1 -DONO HT1 N -DONO HT2 N -DONO HT3 N -IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 -IC HT3 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 - -PRES HPRP 1.00 -! N-terminal patch for HYP -GROUP -ATOM HT1 HC 0.35 -ATOM HT2 HC 0.35 -ATOM N NT -0.20 -ATOM CD1 CH2E 0.25 -ATOM CA CH1E 0.25 -BOND HT1 N HT2 N -!DIHE HT1 N CA C -DONO HT1 N -DONO HT2 N -IC C CA N CD1 0.0000 0.00 120.00 0.00 0.0000 -IC HT1 CA *N CD1 0.0000 0.00 120.00 0.00 0.0000 -IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 - -PRES NTRU 0.95 -! This patch is used to provide a charged NH3+ group for the N-terminal for -! dehydro amino acids -GROU - ATOM N NT -0.30 - ATOM HT1 HC 0.35 ! Check charges - ATOM HT2 HC 0.35 - ATOM HT3 HC 0.35 - DELETE ATOM HN - ATOM CA CUA1 0.20 -BOND HT1 N HT2 N HT3 N -THET HT1 N HT2 HT2 N HT3 HT2 N CA -THET HT1 N HT3 HT1 N CA HT3 N CA -DIHE HT1 N CA C HT1 N CA CB -DIHE HT2 N CA C HT2 N CA CB -DIHE HT3 N CA C HT3 N CA CB -DONO HT1 N -DONO HT2 N -DONO HT3 N -IC HT1 N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC HT2 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 -IC HT3 CA *N HT2 0.0000 0.00 120.00 0.00 0.0000 - -PRES NTME 0.35 -! N-methyl amino terminal group -ATOM CNT CH3E 0.35 -DELETE ATOM HT3 -DELETE IC HT1 CA *N HT3 -BOND N CNT -ANGL CA N CNT HT1 N CNT HT2 N CNT -DIHE CNT N CA C CNT N CA CB -IC HT1 CA *N CNT 0.0000 0.00 240.0 0.00 0.0000 - -PRES NDME .70 -! N,N-dimethyl terminal group -ATOM CNT1 CH3E 0.35 -ATOM CNT2 CH3E 0.35 -DELETE ATOM HT2 -DELETE ATOM HT3 -DELETE IC HT1 CA *N HT2 -DELETE IC HT1 CA *N HT3 -BOND N CNT1 N CNT2 -ANGL CA N CNT1 CA N CNT2 HT1 N CNT1 HT1 N CNT2 CNT1 N CNT2 -DIHE CNT1 N CA C -DIHE CNT2 N CA C -DIHE CNT1 N CA CB -DIHE CNT2 N CA CB -IC CNT1 CA *N HT1 0.0000 0.00 120.00 0.00 0.0000 -IC CNT2 CA *N CNT1 0.0000 0.00 120.00 0.00 0.0000 - -PRES N3ME 1.05 -! N,N,N-trimethyl terminal group -ATOM CNT1 CH3E 0.35 -ATOM CNT2 CH3E 0.35 -ATOM CNT3 CH3E 0.35 -DELETE ATOM HT1 -DELETE ATOM HT2 -DELETE ATOM HT3 -BOND N CNT1 N CNT2 N CNT3 -ANGL CA N CNT1 CA N CNT2 CNT3 N CNT1 CNT3 N CNT2 CNT1 N CNT2 -ANGL CA N CNT3 -DIHE CNT1 N CA C -DIHE CNT1 N CA CB -DIHE CNT2 N CA C -DIHE CNT2 N CA CB -DIHE CNT3 N CA C -DIHE CNT3 N CA CB -IC C CA N CNT1 0.0000 0.00 180.00 0.00 0.0000 -IC CNT1 CA *N CNT2 0.0000 0.00 120.00 0.00 0.0000 -IC CNT1 CA *N CNT3 0.0000 0.00 240.00 0.00 0.0000 - -PRES NFA 0.00 -! This patch replaces the N-terminal with a fatty acid amide -! C13H27 -! This patch will not work with PRO or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CT2 CH2E 0.00 -GROU -ATOM CNT C 0.60 -ATOM ONT O -0.55 -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -! change atom type for CA for GLY -ATOM CA CH1E .10 -GROUP -ATOM CT3 CH2E 0.00 -ATOM CT4 CH2E 0.00 -ATOM CT5 CH2E 0.00 -ATOM CT6 CH2E 0.00 -ATOM CT7 CH2E 0.00 -ATOM CT8 CH2E 0.00 -ATOM CT9 CH2E 0.00 -ATOM CT10 CH2E 0.00 -ATOM CT11 CH2E 0.00 -ATOM CT12 CH2E 0.00 -ATOM CT13 CH2E 0.00 -ATOM CT14 CH3E 0.00 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND CT2 CNT CNT N CNT ONT N H -BOND CT2 CT3 CT3 CT4 CT4 CT5 CT5 CT6 CT6 CT7 -BOND CT7 CT8 CT8 CT9 CT9 CT10 CT10 CT11 CT11 CT12 -BOND CT12 CT13 CT13 CT14 -ANGL CA N H CA N CNT H N CNT CT3 CT4 CT5 -ANGL CT4 CT5 CT6 CT5 CT6 CT7 CT6 CT7 CT8 -ANGL CT7 CT8 CT9 CT8 CT9 CT10 CT10 CT11 CT12 CT12 CT13 CT14 -DIHE CT2 CNT N CA -DIHE ONT CNT N CA -DIHE CT2 CNT N H -DIHE ONT CNT N H -DIHE CNT N CA C -DIHE CNT N CA CB -DIHE ONT N CA C -DIHE ONT N CA CB -DIHE N CNT CT2 CT3 CNT CT2 CT3 CT4 CT2 CT3 CT4 CT5 -DIHE CT3 CT4 CT5 CT6 CT4 CT5 CT6 CT7 CT5 CT6 CT7 CT8 -DIHE CT6 CT7 CT8 CT9 CT7 CT8 CT9 CT10 -DIHE CT8 CT9 CT10 CT11 CT9 CT10 CT11 CT12 CT10 CT11 CT12 CT13 -DIHE CT11 CT12 CT13 CT14 -IMPH CNT CT2 N ONT -IMPH N CNT CA H -ACCE ONT C -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 -IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT CT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT CT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CNT CT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 -IC CT2 CT3 CT4 CT5 0.0000 0.00 180.00 0.00 0.0000 -IC CT3 CT4 CT5 CT6 0.0000 0.00 180.00 0.00 0.0000 -IC CT4 CT5 CT6 CT7 0.0000 0.00 180.00 0.00 0.0000 -IC CT5 CT6 CT7 CT8 0.0000 0.00 180.00 0.00 0.0000 -IC CT6 CT7 CT8 CT9 0.0000 0.00 180.00 0.00 0.0000 -IC CT7 CT8 CT9 CT10 0.0000 0.00 180.00 0.00 0.0000 -IC CT8 CT9 CT10 CT11 0.0000 0.00 180.00 0.00 0.0000 -IC CT9 CT10 CT11 CT12 0.0000 0.00 180.00 0.00 0.0000 -IC CT10 CT11 CT12 CT13 0.0000 0.00 180.00 0.00 0.0000 -IC CT11 CT12 CT13 CT14 0.0000 0.00 180.00 0.00 0.0000 - -PRES NFAG -0.05 -! This patch replaces the N-terminal with a fatty acid amide -! C13H27 -! This patch is specific for glycine at N terminus ( otherwise use NFA) -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CT2 CH2E -0.05 -GROU -ATOM CNT C 0.60 -ATOM ONT O -0.55 -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH2E .10 -GROUP -ATOM CT3 CH2E 0.00 -ATOM CT4 CH2E 0.00 -ATOM CT5 CH2E 0.00 -ATOM CT6 CH2E 0.00 -ATOM CT7 CH2E 0.00 -ATOM CT8 CH2E 0.00 -ATOM CT9 CH2E 0.00 -ATOM CT10 CH2E 0.00 -ATOM CT11 CH2E 0.00 -ATOM CT12 CH2E 0.00 -ATOM CT13 CH2E 0.00 -ATOM CT14 CH3E 0.00 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND CT2 CNT CNT N CNT ONT N H -BOND CT2 CT3 CT3 CT4 CT4 CT5 CT5 CT6 CT6 CT7 -BOND CT7 CT8 CT8 CT9 CT9 CT10 CT10 CT11 CT11 CT12 -BOND CT12 CT13 CT13 CT14 -ANGL CA N H CA N CNT H N CNT CNT CT2 CT3 CT3 CT4 CT5 - -ANGL CT4 CT5 CT6 CT5 CT6 CT7 CT6 CT7 CT8 -ANGL CT7 CT8 CT9 CT8 CT9 CT10 CT10 CT11 CT12 CT12 CT13 CT14 -DIHE CT2 CNT N CA -DIHE ONT CNT N CA -DIHE CT2 CNT N H -DIHE ONT CNT N H -DIHE CNT N CA C -DIHE CNT N CA CB -DIHE ONT N CA C -DIHE ONT N CA CB -DIHE N CNT CT2 CT3 CNT CT2 CT3 CT4 CT2 CT3 CT4 CT5 -DIHE CT3 CT4 CT5 CT6 CT4 CT5 CT6 CT7 CT5 CT6 CT7 CT8 -DIHE CT6 CT7 CT8 CT9 CT7 CT8 CT9 CT10 -DIHE CT8 CT9 CT10 CT11 CT9 CT10 CT11 CT12 CT10 CT11 CT12 CT13 -DIHE CT11 CT12 CT13 CT14 -IMPH CNT CT2 N ONT -IMPH N CNT CA H -ACCE ONT C -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 -IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT CT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT CT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CNT CT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 -IC CT2 CT3 CT4 CT5 0.0000 0.00 180.00 0.00 0.0000 -IC CT3 CT4 CT5 CT6 0.0000 0.00 180.00 0.00 0.0000 -IC CT4 CT5 CT6 CT7 0.0000 0.00 180.00 0.00 0.0000 -IC CT5 CT6 CT7 CT8 0.0000 0.00 180.00 0.00 0.0000 -IC CT6 CT7 CT8 CT9 0.0000 0.00 180.00 0.00 0.0000 -IC CT7 CT8 CT9 CT10 0.0000 0.00 180.00 0.00 0.0000 -IC CT8 CT9 CT10 CT11 0.0000 0.00 180.00 0.00 0.0000 -IC CT9 CT10 CT11 CT12 0.0000 0.00 180.00 0.00 0.0000 -IC CT10 CT11 CT12 CT13 0.0000 0.00 180.00 0.00 0.0000 -IC CT11 CT12 CT13 CT14 0.0000 0.00 180.00 0.00 0.0000 - -PRES NGUA 0.95 -! N terminal guanidino group -! Not to be used for proline -! change atom type for CA for GLY and edit dihedrals -ATOM CA CH1E .10 -ATOM CNT C .50 -ATOM NT2 NC -.45 -ATOM NT3 NC -.45 -ATOM HT2A HC .35 -ATOM HT2B HC .35 -ATOM HT3A HC .35 -ATOM HT3B HC .35 -ATOM N NP -.40 -ATOM H H .25 -DELETE ATOM HT1 -DELETE ATOM HT2 -DELETE ATOM HT3 -BOND N H N CNT -BOND CNT NT2 CNT NT3 NT2 HT2A NT2 HT2B -BOND NT3 HT3A NT3 HT3B -ANGL CA N H CA N CNT H N CNT -ANGL N CNT NT3 N CNT NT2 NT2 CNT NT3 -ANGL HT2A NT2 HT2B HT2A NT2 CNT HT2B NT2 CNT -ANGL HT3A NT3 HT3B HT3A NT3 CNT HT3B NT3 CNT -DIHE C CA N CNT CB CA N CNT -DIHE C CA N H CB CA N H -DIHE CA N CNT NT2 H N CNT NT2 -DIHE CA N CNT NT3 H N CNT NT3 -DIHE N CNT NT2 HT2A N CNT NT2 HT2B -DIHE NT3 CNT NT2 HT2A NT3 CNT NT2 HT2B -DIHE N CNT NT3 HT3A N CNT NT3 HT3B -DIHE NT2 CNT NT3 HT3A NT2 CNT NT3 HT3B -IMPH N CNT CA H CNT NT2 NT3 N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT NT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT NT2 HT2A 0.0000 0.00 180.00 0.00 0.0000 -IC HT2A CNT *NT2 HT2B 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT NT3 HT3A 0.0000 0.00 180.00 0.00 0.0000 -IC HT3A CNT *NT3 HT3B 0.0000 0.00 180.00 0.00 0.0000 -IC NT3 NT2 *CNT N 0.0000 0.00 180.00 0.00 0.0000 -IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 -DONO H N -DONO HT2A NT2 -DONO HT2B NT2 -DONO HT3A NT3 -DONO HT3B NT3 - -PRES NFRM 0.00 -! This patch replaces the N-terminal with a formamide group -! This patch will not work with PRO, HPRO, or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM HNT HA -0.00 -! change atom type for CA for GLY -ATOM CA CH1E .10 -GROU -ATOM CNT C 0.60 -ATOM ONT O -0.55 -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND HNT CNT CNT N CNT ONT N H -ANGL CA N H CA N CNT H N CNT N CNT ONT N CNT HNT -ANGL ONT CNT HNT -DIHE HNT CNT N CA -DIHE ONT CNT N CA -DIHE HNT CNT N H -DIHE ONT CNT N H -DIHE CNT N CA C -DIHE CNT N CA CB -DIHE H N CA C -DIHE H N CA CB -! This may need to be inverted for new IMPH rules -IMPH CNT HNT N ONT -IMPH N CNT CA H -ACCE ONT C -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC N HNT *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC HNT CNT N CA 0.0000 0.00 180.00 0.00 0.0000 -IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 - -PRES NACT 0.00 -! This patch replaces the N-terminal with an acetamide group -! This patch will not work with PRO as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CT2 CH3E 0.00 -GROU -ATOM CNT C 0.60 -ATOM ONT O -0.55 -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -! change atom type for CA for GLY -ATOM CA CH1E .10 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND CT2 CNT CNT N CNT ONT N H -ANGL CA N H CA N CNT H N CNT N CNT ONT N CNT CT2 -ANGL ONT CNT CT2 -DIHE CT2 CNT N H -DIHE CT2 CNT N CA -DIHE ONT CNT N H -DIHE ONT CNT N CA -DIHE CNT N CA C -DIHE CNT N CA CB -DIHE H N CA C -DIHE H N CA CB -! This may need to be inverted for new IMPH rules -IMPH CNT CT2 N ONT -IMPH N CNT CA H -ACCE ONT C -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC N CT2 *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CT2 CNT N CA 0.0000 0.00 180.00 0.00 0.0000 -IC CA CNT *N H 0.0000 0.00 180.00 0.00 0.0000 - -PRES NACP -0.00 -! This patch replaces the N-terminal with an acetamide group -! Only for PROLINE as first residue -! Apply this patch ONLY after the Nter Patch PROP has been applied -GROU - ATOM CT2 CH3E 0.00 - ATOM CNT C 0.60 - ATOM ONT O -0.55 - ATOM N NX -0.25 - ATOM CA CH1E 0.10 - ATOM CG CH2E 0.10 - ATOM CD CH2E 0.00 - DELE ATOM HT1 - DELE ATOM HT2 -BOND N CNT CNT ONT CNT CT2 -ANGL CA N CNT N CNT ONT N CNT CT2 ONT CNT CT2 -ANGL CD N CNT -DIHE C CA N CNT -DIHE CB CA N CNT -DIHE CA N CNT ONT -DIHE CA N CNT CT2 -DIHE CD N CNT ONT -DIHE CD N CNT CT2 -IMPH CNT CT2 N ONT -ACCE ONT CNT -IC C CA N CNT 0.00 0.00 240.00 0.00 0.00 -IC CA N CNT CT2 0.00 0.00 170.00 0.00 0.00 -IC CT2 N *CNT ONT 0.00 0.00 180.00 0.00 0.00 - -PRES NPYG 0.00 ! Converts N-terminal glutamic acid to pyroglutamic acid -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM OE O -0.55 -ATOM CD C 0.60 -ATOM CG CH2E 0.00 -ATOM CA CH1E 0.10 -DELETE ATOM HT1 -DELETE ATOM HT2 -DELETE ATOM HT3 -DELETE ATOM OE1 -DELETE ATOM OE2 -BOND N H -BOND N CD -BOND CD OE -ANGLE H N CA -ANGLE H N CD -ANGLE CA N CD -ANGLE OE CD N -ANGLE OE CD CG -ANGLE CG CD N -DIHe H N CA C -DIHe H N CA CB -DIHe CD N CA C -DIHe CD N CA CB -DIHe CG CD N CA -DIHe CG CD N H -DIHe CB CG CD N -IMPH N CA CD H -!IMPH CD OE N CG -! inverted for new IMPH rules -IMPH CD N CG OE -IC CD CA *N H 0.0 0.0000 180.0 0.0000 0.0 -IC OE CG *CD N 0.0 0.0000 180.0 0.0000 0.0 -IC CD N CA C 0.0 0.0000 -60.0 0.0000 0.0 -IC N CA CB CG 0.0 105.0000 0.0 0.0000 0.0 -IC CA CB CG CD 0.0 105.0000 0.0 105.0000 0.0 -IC CB CG CD N 0.0 105.0000 0.0 0.0000 0.0 -IC CG CD N CA 0.0 0.0000 0.0 0.0000 0.0 -DONO H N -ACCE OE - -PRES NMEC -0.05 -! This patch replaces the N-terminal with a methylester group -! This patch will not work with PRO or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -! change atom type for CA for GLY -ATOM CA CH1E .10 -ATOM CNT C 0.70 -ATOM ONT O -.55 -ATOM OT2 OS -.40 -ATOM CT3 CH3E 0.25 -ATOM N NP -.40 -ATOM H H 0.25 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 -ANGL CA N H CA N CNT H N CNT N CNT ONT -ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 -DIHE C CA N H -DIHE CB CA N H -DIHE C CA N CNT -DIHE CB CA N CNT -DIHE CA N CNT OT2 -DIHE H N CNT OT2 -DIHE CA N CNT ONT -DIHE H N CNT ONT -DIHE N CNT OT2 CT3 -DIHE ONT CNT OT2 CT3 -IMPH CNT N OT2 ONT N CA CNT H -ACCE ONT CNT -ACCE OT2 -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 - -PRES NETC -0.05 -! This patch replaces the N-terminal with an ethylester group -! This patch will not work with PRO or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CNT C 0.70 -ATOM ONT O -0.55 -ATOM OT2 OS -.40 -GROU -ATOM CT3 CH2E 0.25 -ATOM CT4 CH3E 0.00 -ATOM N NP -.40 -ATOM H H 0.25 -! change atom type for CA for GLY -ATOM CA CH1E .10 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4 -ANGL CA N H CA N CNT H N CNT N CNT ONT -ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4 -DIHE C CA N H -DIHE CB CA N H -DIHE C CA N CNT -DIHE CB CA N CNT -DIHE CA N CNT OT2 -DIHE H N CNT OT2 -DIHE H N CNT ONT -DIHE N CNT OT2 CT3 -DIHE ONT CNT OT2 CT3 -DIHE CNT OT2 CT3 CT4 -IMPH CNT N OT2 ONT N CA CNT H -ACCE ONT CNT -ACCE OT2 -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CNT OT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 -IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 - -PRES NBOC -0.05 -! This patch replaces the N-terminal with a tert-butylester group -! This patch will not work with PRO or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CNT C 0.70 -ATOM ONT O -0.55 -ATOM OT2 OS -.40 -GROU -ATOM CT3 CT 0.25 -ATOM CT4A CH3E 0.00 -ATOM CT4B CH3E 0.00 -ATOM CT4C CH3E 0.00 -ATOM N NP -.40 -ATOM H H .25 -! change atom type for CA for GLY -ATOM CA CH1E .10 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 -BOND CT3 CT4A CT3 CT4B CT3 CT4C -ANGL CA N H CA N CNT H N CNT N CNT ONT -ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4A -ANGL OT2 CT3 CT4B OT2 CT3 CT4C CT4A CT3 CT4B CT4B CT3 CT4C -ANGL CT4A CT3 CT4C -DIHE C CA N H -DIHE CB CA N H -DIHE C CA N CNT -DIHE CB CA N CNT -DIHE CA N CNT OT2 -DIHE H N CNT OT2 -DIHE H N CNT ONT -DIHE N CNT OT2 CT3 -DIHE ONT CNT OT2 CT3 -DIHE CNT OT2 CT3 CT4A -DIHE CNT OT2 CT3 CT4B -DIHE CNT OT2 CT3 CT4C -IMPH CNT N OT2 ONT N CA CNT H -ACCE ONT CNT -ACCE OT2 -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CNT OT2 CT3 CT4A 0.0000 0.00 180.00 0.00 0.0000 -IC CT4A OT2 *CT3 CT4B 0.0000 0.00 120.00 0.00 0.0000 -IC CT4A OT2 *CT3 CT4C 0.0000 0.00 240.00 0.00 0.0000 -IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 - -PRES NPHC -0.05 -! This patch replaces the N-terminal with a phenylester group -! This patch will not work with PRO or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CNT C 0.70 -ATOM ONT O -0.55 -ATOM OT2 OS -.40 -GROU -ATOM CT3 C6R .25 -ATOM CT4A C6RE 0.00 -ATOM CT4B C6RE 0.00 -ATOM CT5A C6RE 0.00 -ATOM CT5B C6RE 0.00 -ATOM CT6 C6RE 0.00 -ATOM N NP -.40 -ATOM H H 0.25 -! change atom type for CA for GLY -ATOM CA CH1E .10 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4A -BOND CT4A CT5A CT5A CT6 CT6 CT5B CT5B CT4B CT4B CT3 -ANGL CA N H CA N CNT H N CNT N CNT ONT -ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4A -ANGL OT2 CT3 CT4B CT4A CT3 CT4B CT3 CT4A CT5A CT4A CT5A CT6 -ANGL CT5A CT6 CT5B CT6 CT5B CT4B CT5B CT4B CT3 -DIHE C CA N H -DIHE CB CA N H -DIHE C CA N CNT -DIHE CB CA N CNT -DIHE CA N CNT OT2 -DIHE H N CNT OT2 -DIHE H N CNT ONT -DIHE N CNT OT2 CT3 -DIHE ONT CNT OT2 CT3 -DIHE CNT OT2 CT3 CT4A -DIHE CNT OT2 CT3 CT4B -IMPH CNT N OT2 ONT N CA CNT H CT3 CT4A CT4B OT2 -IMPH CT3 CT4A CT5A CT6 CT4A CT5A CT6 CT5B CT5A CT6 CT5B CT4B -IMPH CT6 CT5B CT4B CT3 CT5B CT4B CT3 CT4A CT4B CT3 CT4A CT5A -ACCE ONT CNT -ACCE OT2 -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CNT OT2 CT3 CT4A 0.0000 0.00 90.00 0.00 0.0000 -IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CT4B CT4A *CT3 OT2 0.0000 0.00 180.00 0.00 0.0000 -IC CT4B CT3 CT4A CT5A 0.0000 0.00 0.00 0.00 0.0000 -IC CT5B CT4B CT3 CT4A 0.0000 0.00 0.00 0.00 0.0000 -IC CT6 CT5B CT4B CT3 0.0000 0.00 0.00 0.00 0.0000 -IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 - -PRES NCBZ -0.05 -! This patch replaces the N-terminal with a carbobenzoxly group -! This patch will not work with PRO or GLY as the first residue -! Apply this patch ONLY after the NTER patch has been applied -GROU -ATOM CNT C 0.70 -ATOM ONT O -0.55 -ATOM OT2 OS -.40 -GROU -ATOM CT3 CH2E .25 -ATOM CT4 C6R 0.0 -ATOM CT5A C6RE 0.0 -ATOM CT6A C6RE 0.0 -ATOM CT7 C6RE 0.0 -ATOM CT6B C6RE 0.0 -ATOM CT5B C6RE 0.0 -ATOM N NP -0.40 -ATOM H H 0.25 -! change atom type for CA for GLY -ATOM CA CH1E .10 -DELE ATOM HT1 -DELE ATOM HT2 -DELE ATOM HT3 -BOND N H N CNT CNT ONT CNT OT2 OT2 CT3 CT3 CT4 -BOND CT4 CT5A CT5A CT6A CT6A CT7 CT7 CT6B CT6B CT5B CT5B CT4 -ANGL CA N H CA N CNT H N CNT N CNT ONT -ANGL N CNT OT2 OT2 CNT ONT CNT OT2 CT3 OT2 CT3 CT4 -ANGL CT3 CT4 CT5B CT3 CT4 CT5A CT5B CT4 CT5A CT4 CT5A CT6A -ANGL CT5A CT6A CT7 CT6A CT7 CT6B CT7 CT6B CT5B CT6B CT5B CT4 -DIHE C CA N H -DIHE CB CA N H -DIHE C CA N CNT -DIHE CB CA N CNT -DIHE CA N CNT OT2 -DIHE H N CNT OT2 -DIHE H N CNT ONT -DIHE N CNT OT2 CT3 -DIHE ONT CNT OT2 CT3 -DIHE CNT OT2 CT3 CT4 -DIHE OT2 CT3 CT4 CT5A -DIHE OT2 CT3 CT4 CT5B -IMPH CNT N OT2 ONT N CA CNT H -IMPH CT4 CT5A CT5B CT3 CT5A CT6A CT7 CT6B CT6A CT7 CT6B CT5B -IMPH CT7 CT6B CT5B CT4 CT6B CT5B CT4 CT5A CT5B CT4 CT5A CT6A -ACCE ONT CNT -ACCE OT2 -DONO H N -IC C CA N CNT 0.0000 0.00 180.00 0.00 0.0000 -IC CA N CNT OT2 0.0000 0.00 180.00 0.00 0.0000 -IC N CNT OT2 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CNT OT2 CT3 CT4 0.0000 0.00 180.00 0.00 0.0000 -IC OT2 CT3 CT4 CT5A 0.0000 0.00 90.00 0.00 0.0000 -IC OT2 N *CNT ONT 0.0000 0.00 180.00 0.00 0.0000 -IC CT5B CT5A *CT4 CT3 0.0000 0.00 180.00 0.00 0.0000 -IC CT5B CT4 CT5A CT6A 0.0000 0.00 0.00 0.00 0.0000 -IC CT6B CT5B CT4 CT5A 0.0000 0.00 0.00 0.00 0.0000 -IC CT7 CT6B CT5B CT4 0.0000 0.00 0.00 0.00 0.0000 -IC CNT CA *N H 0.0000 0.00 180.00 0.00 0.0000 - -! -! C-terminal patches other than COO- -! - -PRES COOH 0.150 ! Protonated Carboxyl (COOH) C-terminus -ATOM OXT OAC -.61 -ATOM C C .78 -ATOM O OT -.67 -ATOM HCT H .46 -ATOM CA CH1E .19 -BOND O HCT -THETA C O HCT -DIHE CA C O HCT -IC CA C O HCT 0.0000 0.00 180.0 0.00 0.0000 -DONO HCT O - -PRES CALD 0.00 -! This patch replaces the C-terminal with an aldehyde group -! Apply this patch ONLY after the CTER patch has been applied -GROU -ATOM C C 0.23 -ATOM O OA -0.43 -ATOM HCT HA 0.20 -DELE ATOM OXT -BOND C O C HCT -ANGL CA C O CA C HCT O C HCT -DIHE N CA C O -DIHE CB CA C O -!IMPH C CA O HCT -! inverted for new IMPH rules -IMPH C CA HCT O -ACCE O C -IC N CA C HCT 0.0 0.0 0.0 0.0 0.0 -IC CA HCT *C O 0.0 0.0 180.0 0.0 0.0 - -PRES CALC 0.00 -! This patch reduces the C terminal carboxyl to an alcohol -GROU -ATOM C CH2E .25 -ATOM OCT OT -.65 -ATOM HOT HO .40 -DELETE ATOM O -DELETE ATOM OXT -BOND C OCT OCT HOT -ANGL CA C OCT C OCT HOT -DIHE N CA C OCT CA C OCT HOT -DIHE CB CA C OCT -ACCE OCT -IC N CA C OCT 0.0000 0.00 180.00 0.00 0.0000 -IC CA C OCT HOT 0.0000 0.00 180.00 0.00 0.0000 - -PRES CAMD 0.000 -! Converts the C-terminus to an amide -GROU -ATOM C C 0.55 -ATOM O O -.55 -ATOM NCT NP -.60 -ATOM HCT1 H .30 -ATOM HCT2 H .30 -DELETE ATOM OXT -BOND C O C NCT NCT HCT1 NCT HCT2 -ANGL CA C O CA C NCT -ANGL O C NCT C NCT HCT1 C NCT HCT2 HCT1 NCT HCT2 -DIHE N CA C NCT -DIHE CB CA C NCT -DIHE N CA C O -DIHE CB CA C O -DIHE CA C NCT HCT1 -DIHE CA C NCT HCT2 -DIHE O C NCT HCT1 -DIHE O C NCT HCT2 -IMPH NCT C HCT1 HCT2 C CA NCT O -ACCE O C -IC N CA C NCT 0.000 0.00 180.00 0.00 0.000 -IC NCT CA *C O 0.000 0.00 180.00 0.00 0.000 -IC CA C NCT HCT1 0.000 0.00 180.00 0.00 0.000 -IC HCT1 C *NCT HCT2 0.000 0.00 180.00 0.00 0.000 - -PRES CMAM 0.00 ! Converts the C-terminus to an N methyl-amide -GROU -ATOM C C .60 -ATOM OXT O -.55 -ATOM NCT NP -.40 -ATOM HCT1 H .25 -ATOM CTB CH3E .10 -DELETE ATOM O -BOND C OXT C NCT NCT HCT1 NCT CTB -ANGL CA C OXT CA C NCT C NCT CTB HCT1 NCT CTB C NCT HCT1 -DIHE N CA C NCT -DIHE CB CA C NCT -DIHE N CA C OXT -DIHE CB CA C OXT -DIHE CA C NCT CTB -DIHE OXT C NCT HCT1 -!IMPH NCT C HCT1 CTB -!inverted for new IMPH rules -IMPH NCT C CTB HCT1 -IMPH C NCT CA OXT -ACCE OXT C -IC N CA C NCT 0.0000 0.00 180.0 0.00 0.0000 -IC NCT CA *C OXT 0.0000 0.00 180.0 0.00 0.0000 -IC CA C NCT HCT1 0.0000 0.00 180.0 0.00 0.0000 -IC HCT1 C *NCT CTB 0.0000 0.00 180.0 0.00 0.0000 - -PRES CMES 0.000 -! This patch replaces the C-terminal with an methyl ester group -! Apply this patch ONLY after the CTER patch has been applied -GROU -ATOM C C 0.70 -ATOM OXT O -0.55 -ATOM OCT OS -0.40 -ATOM CTB CH3E 0.25 -DELE ATOM O -BOND C OXT C OCT OCT CTB -ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB -DIHE N CA C OXT -DIHE N CA C OXT -DIHE CB CA C OXT -DIHE CB CA C OCT -DIHE CA C OCT CTB -IMPH C CA OCT OXT -ACCE OXT C -IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 -IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 -IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 - -PRES CETS 0.000 -! This patch replaces the C-terminal with an ethyl ester group -! Apply this patch ONLY after the CTER patch has been applied -GROU -ATOM C C .70 -ATOM OXT O -0.55 -ATOM OCT OS -0.40 -ATOM CTB CH2E 0.25 -ATOM CTG CH3E 0.00 -DELE ATOM O -BOND C OXT C OCT OCT CTB CTB CTG -ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG -DIHE N CA C OXT -DIHE N CA C OCT -DIHE CB CA C OXT -DIHE CB CA C OCT -DIHE CA C OCT CTB C OCT CTB CTG -IMPH C CA OCT OXT -ACCE OXT C -IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 -IC C OCT CTB CTG 0.0 0.0 180.0 0.0 0.0 -IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 -IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 - -PRES CTBS 0.000 -! This patch replaces the C-terminal with a t-butyl ester group -! Apply this patch ONLY after the CTER patch has been applied -GROU -ATOM C C 0.70 -ATOM OXT O -0.55 -ATOM OCT OS -0.40 -ATOM CTB CT 0.25 -ATOM CTG1 CH3E 0.000 -ATOM CTG2 CH3E 0.000 -ATOM CTG3 CH3E 0.000 -DELE ATOM O -BOND C OXT C OCT OCT CTB CTB CTG1 CTB CTG2 CTB CTG3 -ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG1 OCT CTB CTG2 -ANGL OCT CTB CTG3 CTG1 CTB CTG2 CTG1 CTB CTG3 CTG2 CTB CTG3 -DIHE N CA C OXT -DIHE N CA C OCT -DIHE CB CA C OXT -DIHE CB CA C OCT -DIHE CA C OCT CTB -DIHE C OCT CTB CTG1 -DIHE C OCT CTB CTG2 -DIHE C OCT CTB CTG3 -IMPH C CA OCT OXT -ACCE OXT C -ACCE OCT -IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 -IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 -IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 -IC C OCT CTB CTG1 0.0 0.0 180.0 0.0 0.0 -IC CTG1 OCT *CTB CTG2 0.0 0.0 120.0 0.0 0.0 -IC CTG1 OCT *CTB CTG3 0.0 0.0 240.0 0.0 0.0 - -PRES CPHS 0.00 -! This patch replaces the C-terminal with a phenyl ester group -! Apply this patch ONLY after the CTER patch has been applied -GROU -ATOM C C .70 -ATOM OXT O -0.55 -ATOM OCT OS -0.40 -ATOM CTB C6R 0.25 -ATOM CTG1 C6RE 0.00 -ATOM CTG2 C6RE 0.00 -ATOM CTD1 C6RE 0.00 -ATOM CTD2 C6RE 0.00 -ATOM CTE C6RE 0.00 -DELE ATOM O -BOND C OXT C OCT OCT CTB CTB CTG1 CTB CTG2 CTG1 CTD1 CTG2 CTD2 -BOND CTD1 CTE CTD2 CTE -ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG1 OCT CTB CTG2 -ANGL CTB CTG1 CTD1 CTG1 CTD1 CTE CTD1 CTE CTD2 CTE CTD2 CTG2 -ANGL CTD2 CTG2 CTB CTG2 CTB CTG1 -DIHE N CA C OXT -DIHE N CA C OCT -DIHE CB CA C OXT -DIHE CB CA C OCT -DIHE CA C OCT CTB -DIHE C OCT CTB CTG1 -DIHE C OCT CTB CTG2 -IMPH C CA OCT OXT -IMPH CTB CTG1 CTG2 OCT -IMPH CTB CTG1 CTD1 CTE CTG1 CTD1 CTE CTD2 CTD1 CTE CTD2 CTG2 -IMPH CTE CTD2 CTG2 CTB CTD2 CTG2 CTB CTG1 CTG2 CTB CTG1 CTD1 -ACCE OXT C -ACCE OCT -IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 -IC C OCT CTB CTG1 0.0 0.0 90.0 0.0 0.0 -IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 -IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 -IC CTG2 CTG1 *CTB OCT 0.0 0.0 180.0 0.0 0.0 -IC CTG2 CTB CTG1 CTD1 0.0 0.0 0.0 0.0 0.0 -IC CTD2 CTG2 CTB CTG1 0.0 0.0 0.0 0.0 0.0 -IC CTE CTD2 CTG2 CTB 0.0 0.0 0.0 0.0 0.0 - -PRES CBZS 0.000 -! This patch replaces the C-terminal with a benzyl ester group -! Apply this patch ONLY after the CTER patch has been applied -GROU -ATOM C C 0.70 -ATOM OXT O -0.55 -ATOM OCT OS -0.40 -ATOM CTB CH2E 0.25 -ATOM CTG C6R 0.00 -ATOM CTD1 C6RE 0.00 -ATOM CTD2 C6RE 0.00 -ATOM CTE1 C6RE 0.00 -ATOM CTE2 C6RE 0.00 -ATOM CTZ C6RE 0.00 -DELE ATOM O -BOND C OXT C OCT OCT CTB CTB CTG CTG CTD1 CTG CTD2 CTD1 CTE1 -BOND CTD2 CTE2 CTE1 CTZ CTE2 CTZ -ANGL CA C OXT CA C OCT OXT C OCT C OCT CTB OCT CTB CTG -ANGL CTB CTG CTD1 CTB CTG CTD2 -ANGL CTG CTD1 CTE1 CTD1 CTE1 CTZ CTE1 CTZ CTE2 CTZ CTE2 CTD2 -ANGL CTE2 CTD2 CTG CTD2 CTG CTD1 -DIHE N CA C OXT -DIHE N CA C OCT -DIHE CB CA C OXT -DIHE CB CA C OCT -DIHE CA C OCT CTB C OCT CTB CTG -DIHE OCT CTB CTG CTD1 -DIHE OCT CTB CTG CTD2 -IMPH C CA OCT OXT -IMPH CTG CTD1 CTD2 CTB -IMPH CTG CTD1 CTE1 CTZ CTD1 CTE1 CTZ CTE2 CTE1 CTZ CTE2 CTD2 -IMPH CTZ CTE2 CTD2 CTG CTE2 CTD2 CTG CTD1 CTD2 CTG CTD1 CTE1 -ACCE OXT C -ACCE OCT -IC CA C OCT CTB 0.0 0.0 180.0 0.0 0.0 -IC C OCT CTB CTG 0.0 0.0 180.0 0.0 0.0 -IC OCT CTB CTG CTD1 0.0 0.0 180.0 0.0 0.0 -IC N CA C OCT 0.0 0.0 180.0 0.0 0.0 -IC CA OCT *C OXT 0.0 0.0 180.0 0.0 0.0 -IC CTD2 CTD1 *CTG CTB 0.0 0.0 180.0 0.0 0.0 -IC CTD2 CTG CTD1 CTE1 0.0 0.0 0.0 0.0 0.0 -IC CTE2 CTD2 CTG CTD1 0.0 0.0 0.0 0.0 0.0 -IC CTZ CTE2 CTD2 CTG 0.0 0.0 0.0 0.0 0.0 - -! -! Other patches -! -PRES CIS 0.00 -! converts trans peptide to cis -DELE IC -CA -C N CA -IC -CA -C N CA 0.00 0.000 0.00 0.000 0.00 - -PRES CH2 -.35 -! Replaces the Carbonyl group in the backbone by CH2 -DELETE ATOM O -ATOM C CH2E 0.000 -ATOM +N NT -.35 -DELE IMPH +N C +CA +H -DELETE IC C +CA *+N +H -IC C +CA *+N +H 0.000 0.000 120.00 0.00 0.000 -!IC C +CA *+N +H 0.000 0.000 240.00 0.00 0.000 - -PRES NPME 0.25 -! N-methyl (for peptides), not to be applied to the first residue -GROUP -ATOM CNME CH3E 0.250 -DELETE ATOM H -BOND N CNME -ANGL -C N CNME CNME N CA -DIHE -CA -C N CNME -DIHE -O -C N CNME -DIHE CNME N CA C -DIHE CNME N CA CB -IMPH N -C CA CNME -IC -C CA *N CNME 0.0000 0.00 180.00 0.00 0.0000 - -PRES CAME 0.10 -! Alpha methyl patch for all residues except glycine -GROU -ATOM CB2 CH3E 0.00 -ATOM CA CT 0.10 -BOND CA CB2 -ANGL CB2 CA CB N CA CB2 C CA CB2 -DIHE -C N CA CB2 -DIHE H N CA CB2 -DIHE CB2 CA C +N -IC N C *CA CB2 0.0000 0.00 240.0 0.00 0.0000 - - -PRES NTOO 0.20 -! This patch replaces the peptide nitrogen in a residue with an ester oxygen -! This patch will not work with a residue as the N-terminal -! This patch will not work with GLY as the ester residue -! This patch will not work in conjunction with any other patch on the -! ester residue (including CTER) -! This patch requires a sequence of three residues, where the second residue -! is the ester residue -GROU - ATOM -CA CH1E 0.20 - ATOM -C C 0.70 - ATOM -O OAC -0.55 -GROU - ATOM OP OS -0.40 - ATOM CA CH1E 0.25 - DELE ATOM N - DELE ATOM H -BOND -C OP OP CA -ANGL -CA -C OP -O -C OP -C OP CA OP CA C OP CA CB -DIHE -CA -C OP CA -DIHE -O -C OP CA -DIHE -C OP CA C -DIHE -C OP CA CB -DIHE -N -CA -C OP -DIHE -CB -CA -C OP -DIHE OP CA C +N -DIHE OP CA C O -IMPH -C -CA OP -O CA OP C CB -ACCE -O -C -ACCE OP -IC -N -CA -C OP 0.00 0.00 180.00 0.00 0.00 -IC -CA -C OP CA 0.00 0.00 180.00 0.00 0.00 -IC -C OP CA C 0.00 0.00 180.00 0.00 0.00 -IC -CA OP *-C -O 0.00 0.00 180.00 0.00 0.00 -IC OP CA C +N 0.00 0.00 180.00 0.00 0.00 -IC OP C *CA CB 0.00 0.00 120.00 0.00 0.00 - -PRES ZTOE 0.00 -! this converts the Z- dehydrophe to E- dehydrophe -DIHE N CA CB CG -IC N CA CB CG 0.0000 0.00 180.0 0.00 0.0000 - -! -! Linking patches -! - -PRES LINK 0.00 -! This patch will join two segments and form a peptide bond or -! can be used to form a cyclic peptide -! The patch should be applied as RES(N-term) - RES(C-term) -! It is assumed that default patching has already occurred -! This patch may NOT be applied to GLY residues or any residue -! whose alpha-carbon atom type is not CH1E -DELETE ATOM 2OXT -DELETE ATOM 1HT1 -DELETE ATOM 1HT2 -DELETE ATOM 1HT3 -ATOM 2C C 0.60 -ATOM 2O O -0.55 -ATOM 1H H 0.25 -ATOM 1N NP -0.40 -ATOM 1CA CH1E 0.10 -BOND 2C 1N 2C 2O 1N 1H -THET 2CA 2C 1N 2C 1N 1CA 2CA 2C 2O -THET 2C 1N 1H 1H 1N 1CA 2O 2C 1N -DIHE 2N 2CA 2C 1N -DIHE 2N 2CA 2C 2O -DIHE 2CB 2CA 2C 1N -DIHE 2CB 2CA 2C 2O -DIHE 2CA 2C 1N 1H -DIHE 2CA 2C 1N 1CA -DIHE 2O 2C 1N 1H -DIHE 2O 2C 1N 1CA -DIHE 2C 1N 1CA 1CB -DIHE 2C 1N 1CA 1C -DIHE 1H 1N 1CA 1CB -DIHE 1H 1N 1CA 1C -IMPH 2C 2CA 1N 2O 1N 2C 1CA 1H -IC 2N 2CA 2C 1N 0.00 0.00 180.00 0.00 0.00 -IC 2CA 2C 1N 1CA 0.00 0.00 180.00 0.00 0.00 -IC 2C 1N 1CA 1C 0.00 0.00 180.00 0.00 0.00 -IC 2CA 1N *2C 2O 0.00 0.00 180.00 0.00 0.00 -IC 2C 1CA *1N 1H 0.00 0.00 180.00 0.00 0.00 - -PRES LNK2 0.00 -! This patch will join two segments and form a peptide bond or -! can be used to form a cyclic peptide ( reverse version of LINK) -! The patch should be applied as RES(C-term) - RES(N-term) -! It is assumed that default patching has already occurred -! This patch may NOT be applied to GLY residues or any residue -! whose alpha-carbon atom type is not CH1E -DELETE ATOM 1OXT -DELETE ATOM 2HT1 -DELETE ATOM 2HT2 -DELETE ATOM 2HT3 -ATOM 1C C 0.60 -ATOM 1O O -0.55 -ATOM 2H H 0.25 -ATOM 2N NP -0.40 -ATOM 2CA CH1E 0.10 -BOND 1C 2N 1C 1O 2N 2H -THET 1CA 1C 2N 1C 2N 2CA 1CA 1C 1O -THET 1C 2N 2H 2H 2N 2CA 1O 1C 2N -DIHE 1N 1CA 1C 2N -DIHE 1N 1CA 1C 1O -DIHE 1CB 1CA 1C 2N -DIHE 1CB 1CA 1C 1O -DIHE 1CA 1C 2N 2H -DIHE 1CA 1C 2N 2CA -DIHE 1O 1C 2N 2H -DIHE 1O 1C 2N 2CA -DIHE 1C 2N 2CA 2CB -DIHE 1C 2N 2CA 2C -DIHE 2H 2N 2CA 2CB -DIHE 2H 2N 2CA 2C -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - -PRES LNPT 0.00 -! This patch creates a peptide bond between the C-terminus of -! the primary segment and the N-terminus of its image -! The primary sequence should be generated using first none last none -! Appropriate patches should be applied to the remaining ends -BOND 1C 2N -THET 1CA 1C 2N 1C 2N 2CA -THET 1C 2N 2H 1O 1C 2N -DIHE 1N 1CA 1C 2N 1CA 1C 2N 2CA 1C 2N 2CA 2C -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - - -PRES LNP1 0.00 -! This is same as LINK but for case of PROLINE on the N terminus -! This patch will join two segments and form a peptide bond or -! can be used to form a cyclic peptide for PROLINE at N-terminus -! The patch should be applied as RES(N-term) - RES(C-term) -! It is assumed that default patching has already occurred -! This patch may NOT be applied to GLY residues or any residue -! whose alpha-carbon atom type is not CH1E -!DELETE ATOM 2O -DELETE ATOM 2OXT -DELETE ATOM 1HT1 -DELETE ATOM 1HT2 -ATOM 2C C 0.60 -ATOM 2O O -0.55 -ATOM 1N NX -0.25 -ATOM 1CA CH1E 0.10 -ATOM 1CD CH2E 0.10 -BOND 2C 1N 2C 2O -THET 2CA 2C 1N 2C 1N 1CA 2CA 2C 2O -THET 2O 2C 1N -DIHE 2N 2CA 2C 1N -DIHE 2N 2CA 2C 2O -DIHE 2CB 2CA 2C 1N -DIHE 2CB 2CA 2C 2O -DIHE 2CA 2C 1N 1CD -DIHE 2CA 2C 1N 1CA -DIHE 2O 2C 1N 1CD -DIHE 2O 2C 1N 1CA -DIHE 2C 1N 1CA 1CB -DIHE 2C 1N 1CA 1C -DIHE 1CD 1N 1CA 1CB -DIHE 1CD 1N 1CA 1C -IMPH 2C 2CA 1N 2O -IC 2N 2CA 2C 1N 0.00 0.00 180.00 0.00 0.00 -IC 2CA 2C 1N 1CA 0.00 0.00 180.00 0.00 0.00 -IC 2C 1N 1CA 1C 0.00 0.00 180.00 0.00 0.00 -IC 2N 2CA 2C 2O 0.00 0.00 0.00 0.00 0.00 -IC 1N 2CA *2C 2O 0.00 0.00 180.00 0.00 0.00 - -PRES LNP2 0.00 -! Link patch for Proline at the N terminus -! This patch will join two segments and form a peptide bond or -! can be used to form a cyclic peptide ( reverse version of LINK) -! The patch should be applied as RES(C-term) - RES(N-term) -! It is assumed that default patching has already occurred -!DELETE ATOM 1O -DELETE ATOM 1OXT -DELETE ATOM 2HT1 -DELETE ATOM 2HT2 -ATOM 1C C 0.60 -ATOM 1O O -0.55 -ATOM 2N NX -0.25 -ATOM 2CA CH1E 0.10 -ATOM 2CD CH2E 0.10 -BOND 1C 2N 1C 1O -THET 1CA 1C 2N 1C 2N 2CA 1CA 1C 1O -THET 1O 1C 2N -DIHE 1N 1CA 1C 2N -DIHE 1N 1CA 1C 1O -DIHE 1CB 1CA 1C 2N -DIHE 1CB 1CA 1C 1O -DIHE 1CA 1C 2N 2CD -DIHE 1CA 1C 2N 2CA -DIHE 1O 1C 2N 2CD -DIHE 1O 1C 2N 2CA -DIHE 1C 2N 2CA 2CB -DIHE 1C 2N 2CA 2C -DIHE 2CD 2N 2CA 2CB -DIHE 2CD 2N 2CA 2C -IMPH 1C 1CA 2N 1O -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 - -PRES LIMG 0.00 -! This patch creates a peptide bond between the C-terminus of -! the primary segment and the N-terminus of its image -! The primary sequence should be generated using first none last none -! Appropriate patches should be applied to the remaining ends -BOND 1C 2N -THET 1CA 1C 2N 1C 2N 2CA -THET 1C 2N 2H 1O 1C 2N -DIHE 1N 1CA 1C 2N -DIHE 1N 1CA 1C 1O -DIHE 1CB 1CA 1C 2N -DIHE 1CB 1CA 1C 1O -DIHE 1CA 1C 2N 2H -DIHE 1CA 1C 2N 2CA -DIHE 1O 1C 2N 2H -DIHE 1O 1C 2N 2CA -DIHE 1C 2N 2CA 2CB -DIHE 1C 2N 2CA 2C -DIHE 2H 2N 2CA 2CB -DIHE 2H 2N 2CA 2C -!DIHE 1N 1CA 1C 2N 1CA 1C 2N 2CA 1C 2N 2CA 2C -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - -PRES DLNK 0.00 -! This patch will connect the carboxyl group of ASP with the N-terminal -! end of a peptide to form a cyclic peptide -! The patch should be applied as RES(ASP) - RES(N-term) -DELE ATOM 2HT2 -DELE ATOM 2HT3 -DELE ATOM 1OD2 -ATOM 1CG C 0.60 -ATOM 1OD1 O -0.55 -ATOM 2HT1 H 0.25 -ATOM 2N NP -0.40 -ATOM 1CB CH2E 0.00 -ATOM 2CA CH1E 0.10 -BOND 1CG 2N 2N 2HT1 -THET 1CB 1CG 2N 1OD1 1CG 2N -THET 1CG 2N 2HT1 1CG 2N 2CA -DIHE 1CB 1CG 2N 2CA -DIHE 1CB 1CG 2N 2HT1 -DIHE 1OD1 1CG 2N 2CA -DIHE 1OD1 1CG 2N 2HT1 -DIHE 1CG 2N 2CA 2C -DIHE 1CG 2N 2CA 2CB -IMPH 1CG 1CB 2N 1OD1 2N 1CG 2CA 2HT1 -IC 1CB 1CG 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1CG 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1OD1 1CB *1CG 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CG 2CA *2N 2HT1 0.00 0.00 180.00 0.00 0.00 - -PRES KLNK 0.00 -! This patch will connect the amino group of LYS with the C-terminal -! end of a peptide to form a cyclic peptide -! The patch should be applied as RES(LYS) - RES(C-term) -DELE ATOM 2OXT -DELE ATOM 1HZ2 -DELE ATOM 1HZ3 -ATOM 2O O -.55 -ATOM 2C C .60 -ATOM 1HZ1 H 0.25 -ATOM 1NZ NP -0.40 -ATOM 1CE CH2E 0.10 -BOND 2C 1NZ -THET 2CA 2C 1NZ 2O 2C 1NZ -THET 2C 1NZ 1HZ1 2C 1NZ 1CE -DIHE 2N 2CA 2C 1NZ -DIHE 2CA 2C 1NZ 1CE -DIHE 2CA 2C 1NZ 1HZ1 -DIHE 2OCT1 2C 1NZ 1CE -DIHE 2OCT1 2C 1NZ 1HZ1 -DIHE 2C 1NZ 1CE 1CD -IMPH 2C 2CA 1NZ 2O 1NZ 2C 1CE 1HZ1 -IC 2N 2CA 2C 1NZ 0.00 0.00 180.00 0.00 0.00 -IC 2CA 2C 1NZ 1CE 0.00 0.00 180.00 0.00 0.00 -IC 2C 1NZ 1CE 1CD 0.00 0.00 180.00 0.00 0.00 -IC 1NZ 2CA *2C 2O 0.0 0.00 180.00 0.00 0.00 -IC 2C 1CE *1NZ 1HZ1 0.00 0.00 180.00 0.00 0.00 - -PRES ILNK 0.0 -BOND 1C 2N -THET 1C 2N 2CA 1CA 1C 2N -THET 1O 1C 2N 1C 2N 2H -DIHE 1C 2N 2CA 2C -DIHE 1C 2N 2CA 2CB -DIHE 1N 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2H -DIHE 1CB 1C 2N 2CA -DIHE 1CB 1C 2N 2H -IMPH 2N 1C 2CA 2H 1C 1CA 2N 1O -IC 1N 1CA 1C 2N 0.0000 0.00 180.00 0.00 0.0000 -IC 2N 1CA *1C 1O 0.0000 0.00 180.00 0.00 0.0000 -IC 1CA 1C 2N 2CA 0.0000 0.00 180.00 0.00 0.0000 -IC 1C 2N 2CA 2C 0.0000 0.00 180.00 0.00 0.0000 -IC 1C 2CA *2N 2H 0.0000 0.00 180.00 0.00 0.0000 - - -PRES JOAA 0.00 !join unpatched chains (first not GLY second not PRO or GLY) -BOND 1C 2N -THET 1CA 1C 2N 1O 1C 2N -THET 1C 2N 2H 1C 2N 2CA -DIHE 1N 1CA 1C 2N -DIHE 1CB 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2H -DIHE 1O 1C 2N 2CA -DIHE 1O 1C 2N 2H -DIHE 1C 2N 2CA 2C -DIHE 1C 2N 2CA 2CB -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - -PRES JOGA 0.00 !join unpatched chains (first GLY second not PRO or GLY) -BOND 1C 2N -THET 1CA 1C 2N 1O 1C 2N -THET 1C 2N 2H 1C 2N 2CA -DIHE 1N 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2H -DIHE 1O 1C 2N 2CA -DIHE 1O 1C 2N 2H -DIHE 1C 2N 2CA 2C -DIHE 1C 2N 2CA 2CB -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - -PRES JOGG 0.00 !join unpatched chains (first GLY second GLY) -BOND 1C 2N -THET 1CA 1C 2N 1O 1C 2N -THET 1C 2N 2H 1C 2N 2CA -DIHE 1N 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2H -DIHE 1O 1C 2N 2CA -DIHE 1O 1C 2N 2H -DIHE 1C 2N 2CA 2C -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - -PRES JOAG 0.00 !join unpatched chains (first not GLY second GLY) -BOND 1C 2N -THET 1CA 1C 2N 1O 1C 2N -THET 1C 2N 2H 1C 2N 2CA -DIHE 1N 1CA 1C 2N -DIHE 1CB 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2H -DIHE 1O 1C 2N 2CA -DIHE 1O 1C 2N 2H -DIHE 1C 2N 2CA 2C -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2H -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2H 0.00 0.00 180.00 0.00 0.00 - -PRES JOAP 0.00 !join unpatched chains (first not GLY second PRO) -BOND 1C 2N -THET 1CA 1C 2N 1O 1C 2N -THET 1C 2N 2CD 1C 2N 2CA -DIHE 1N 1CA 1C 2N -DIHE 1CB 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2CD -DIHE 1O 1C 2N 2CA -DIHE 1O 1C 2N 2CD -DIHE 1C 2N 2CA 2C -DIHE 1C 2N 2CA 2CB -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2CD -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2CD 0.00 0.00 180.00 0.00 0.00 - -PRES JOGP 0.00 !join unpatched chains (first GLY second PRO) -BOND 1C 2N -THET 1CA 1C 2N 1O 1C 2N -THET 1C 2N 2CD 1C 2N 2CA -DIHE 1N 1CA 1C 2N -DIHE 1CA 1C 2N 2CA -DIHE 1CA 1C 2N 2CD -DIHE 1O 1C 2N 2CA -DIHE 1O 1C 2N 2CD -DIHE 1C 2N 2CA 2C -DIHE 1C 2N 2CA 2CB -IMPH 1C 1CA 2N 1O 2N 1C 2CA 2CD -IC 1N 1CA 1C 2N 0.00 0.00 180.00 0.00 0.00 -IC 1CA 1C 2N 2CA 0.00 0.00 180.00 0.00 0.00 -IC 1C 2N 2CA 2C 0.00 0.00 180.00 0.00 0.00 -IC 1CA 2N *1C 1O 0.00 0.00 180.00 0.00 0.00 -IC 1C 2CA *2N 2CD 0.00 0.00 180.00 0.00 0.00 - -RESI SES 0.00 ! Serine sidechain -GROU -ATOM OT OT -0.65 -ATOM CH3 CH3E 0.25 -ATOM HO H 0.40 -BOND CH3 OT OT HO -DONO HO OT -ACCE OT - -RESI ACD 0.000 -GROUP -ATOM N1 NP -0.600 -ATOM C2 C 0.600 -ATOM C3 CH3E -0.050 -ATOM O4 O -0.550 -ATOM H1 H 0.300 -ATOM H2 H 0.300 -BOND N1 C2 -BOND N1 H1 -BOND N1 H2 -BOND C2 C3 -BOND C2 O4 -IMPH N1 H1 H2 C2 -IMPH C2 N1 O4 C3 -IC H1 N1 C2 C3 1.00 117.06 180.00 113.72 1.51 -IC H2 N1 C2 C3 1.00 121.32 -0.00 113.72 1.51 -IC H1 N1 C2 O4 1.00 117.06 -0.00 123.55 1.22 -IC C2 H1 *N1 H2 1.33 117.06 180.00 121.62 1.00 -IC N1 C3 *C2 O4 1.33 113.72 180.00 122.74 1.22 - -RESI ACN 0.000 -GROUP -ATOM C1 CH3E 0.070 -ATOM C2 CUY1 0.430 -ATOM N N -0.500 -BOND C1 C2 -BOND C2 N - -RESI ACT 0.00 ! Acetone -GROU -ATOM C C 0.60 -ATOM O O -0.55 -ATOM CH1 CH3E -0.025 -ATOM CH2 CH3E -0.025 -BOND CH1 C C O C CH2 -IMPH C O CH2 CH1 -ACCE O C - - -RESI BUT 0.000 -GROUP -ATOM C CT 0.250 -ATOM C1 CH3E 0.000 -ATOM C2 CH3E 0.000 -ATOM C3 CH3E 0.000 -ATOM O OT -0.650 -ATOM H1 H 0.400 -BOND C C1 -BOND C C2 -BOND C C3 -BOND C O -BOND O H1 -IC C1 C O H1 1.56 107.09 180.00 109.47 1.09 -IC C2 C O H1 1.56 107.65 -60.03 109.47 1.09 -IC C3 C O H1 1.56 107.62 60.02 109.47 1.09 - -RESI URE 0.000 ! Urea -GROUP -ATOM C C 0.594 -ATOM O O -0.556 -ATOM N1 N -0.607 -ATOM N2 N -0.607 -ATOM H1 H 0.294 -ATOM H2 H 0.294 -ATOM H3 H 0.294 -ATOM H4 H 0.294 -BOND C O -BOND N1 C N1 H1 N1 H2 -BOND N2 C N2 H3 N2 H4 -IMPH N1 H1 H2 C -IMPH N2 H3 H4 C -IMPH C N1 N2 O -ACCE O C -DONO H1 N1 -DONO H2 N1 -DONO H3 N2 -DONO H4 N2 - -RESI PHN 0.000 !Phenol - quanta created -ATOM C1 C6R 0.25 -ATOM C2 C6RE 0.00 -ATOM C3 C6RE 0.00 -ATOM C4 C6RE 0.00 -ATOM C5 C6RE 0.00 -ATOM C6 C6RE 0.00 -ATOM O OT -0.65 -ATOM HO H 0.40 -BOND C1 C2 -BOND C2 C3 -BOND C3 C4 -BOND C4 C5 -BOND C5 C6 -BOND C6 C1 -BOND C1 O -BOND O HO - - -RESI BEN 0.000 -GROUP -ATOM CG C6RE 0.000 -ATOM CD1 C6RE 0.000 -ATOM CE1 C6RE 0.000 -ATOM CZ C6RE 0.000 -ATOM CE2 C6RE 0.000 -ATOM CD2 C6RE 0.000 -BOND CG CD1 CG CD2 CD1 CE1 -BOND CD2 CE2 CE1 CZ CE2 CZ -IMPH CG CD1 CE1 CZ CD1 CE1 CZ CE2 CE1 CZ CE2 CD2 -IMPH CZ CE2 CD2 CG CE2 CD2 CG CD1 CD2 CG CD1 CE1 -IC CD1 CG CD2 CE2 0.0000 120.00 0.00 120.00 0.0000 -IC CD2 CG CD1 CE1 0.0000 120.00 0.00 120.00 0.0000 -IC CG CD1 CE1 CZ 0.0000 120.00 0.00 120.00 0.0000 - - -RESI DME 0.000 -GROUP -ATOM C1 CH3E 0.185 -ATOM O1 OT -0.370 -ATOM C2 CH3E 0.185 -BOND C1 O1 -BOND O1 C2 - -RESI CHX 0.000 -GROUP -ATOM C1 CH2E 0.000 -ATOM C2 CH2E 0.000 -ATOM C3 CH2E 0.000 -ATOM C4 CH2E 0.000 -ATOM C5 CH2E 0.000 -ATOM C6 CH2E 0.000 -BOND C1 C2 -BOND C1 C6 -BOND C2 C3 -BOND C3 C4 -BOND C4 C5 -BOND C5 C6 -IC C6 C1 C2 C3 1.53 111.15 55.63 111.16 1.53 -IC C1 C2 C3 C4 1.53 111.16 -55.63 111.15 1.53 -IC C2 C3 C4 C5 1.53 111.15 55.62 111.15 1.53 -IC C3 C4 C5 C6 1.53 111.15 -55.63 111.16 1.53 -IC C4 C5 C6 C1 1.53 111.16 55.63 111.15 1.53 -IC C5 C6 C1 C2 1.53 111.15 -55.62 111.15 1.53 - - -RESI BDY -0.000 -GROUP -ATOM C1 C6R 0.085 -ATOM C2 C6RE -0.014 -ATOM C3 C6RE -0.014 -ATOM C4 C6RE -0.014 -ATOM C5 C6RE -0.014 -ATOM C6 C6RE -0.014 -ATOM C7 C 0.230 -ATOM H1 HA 0.185 -ATOM O1 OA -0.430 -BOND C1 C2 -BOND C1 C6 -BOND C2 C3 -BOND C3 C4 -BOND C4 C5 -BOND C5 C6 -BOND C1 C7 -BOND C7 H1 -BOND C7 O1 -IMPH C6 C1 C2 C3 -IMPH C2 C1 C6 C5 -IMPH C1 C2 C3 C4 -IMPH C2 C3 C4 C5 -IMPH C3 C4 C5 C6 -IMPH C4 C5 C6 C1 -IMPH C1 C2 C6 C7 -IMPH C7 C1 O1 H1 -IC C6 C1 C2 C3 1.41 120.68 0.00 119.73 1.41 -IC C7 C1 C2 C3 1.47 119.45 -180.00 119.73 1.41 -IC C2 C6 *C1 C7 1.41 120.68 180.00 119.87 1.47 -IC C1 C2 C3 C4 1.41 119.73 -0.00 119.20 1.41 -IC C2 C3 C4 C5 1.41 119.20 -0.00 121.46 1.41 -IC C3 C4 C5 C6 1.41 121.46 0.00 119.20 1.41 -IC C4 C5 C6 C1 1.41 119.20 -0.00 119.72 1.41 -IC C5 C6 C1 C2 1.41 119.72 -0.00 120.68 1.41 -IC C5 C6 C1 C7 1.41 119.72 180.00 119.87 1.47 -IC C2 C1 C7 O1 1.41 119.45 -0.03 124.23 1.21 -IC C6 C1 C7 O1 1.41 119.87 179.97 124.23 1.21 -IC C2 C1 C7 H1 1.41 119.45 179.97 114.45 1.09 -IC C1 H1 *C7 O1 1.47 114.45 180.00 121.32 1.21 - -RESI AMN 0.000 -GROUP -ATOM C1 CH3E 0.000 -ATOM N1 NT -0.300 -ATOM H1 H 0.150 -ATOM H2 H 0.150 -BOND C1 N1 -BOND N1 H1 -BOND N1 H2 - -RESI ADY 0.000 -GROUP -ATOM C1 CH3E 0.000 -ATOM C2 C 0.230 -ATOM O1 OA -0.430 -ATOM H1 HA 0.200 -BOND C1 C2 -BOND C2 O1 -BOND C2 H1 -IMPH C2 C1 O1 H1 - -RESI ETH 0.000 -GROUP -ATOM C1 CH3E 0.000 -ATOM C2 CH3E 0.000 -BOND C1 C2 - -RESI THS 0.00 ! Threonine sidechain -GROU -ATOM CH CH1E 0.25 -ATOM CH1 CH3E 0.00 -ATOM CH2 CH3E 0.00 -ATOM OT OT -0.65 -ATOM HO H 0.40 -BOND CH1 CH CH OT CH CH2 OT HO -IMPH CH OT CH2 CH1 -DONO OT HO -ACCE OT - -RESI EOL 0.000 -GROUP -ATOM C2 CH2E 0.125 -ATOM C1 CH3E 0.125 -ATOM O OT -0.650 -ATOM H1 HO 0.400 -BOND C2 C1 -BOND C2 O -BOND O H1 -IC C1 C2 O H1 1.53 110.50 -180.00 109.47 1.09 - -RESI DFO 0.000 -GROUP -ATOM C2 C 0.600 -ATOM N3 NP -0.400 -ATOM O4 O -0.550 -ATOM C3 CH3E 0.100 -ATOM C1 CH3E 0.100 -ATOM H1 HA 0.150 -BOND C2 N3 -BOND C2 O4 -BOND N3 C3 -BOND N3 C1 -BOND C2 H1 -IMPH C2 N3 O4 H1 -IMPH N3 C3 C1 C2 -IC O4 C2 N3 C3 1.23 124.96 180.00 119.83 1.46 -IC H1 C2 N3 C3 1.09 117.53 -0.03 119.83 1.46 -IC O4 C2 N3 C1 1.23 124.96 -0.00 118.52 1.46 -IC N3 O4 *C2 H1 1.36 124.96 -179.97 117.51 1.09 -IC C2 C3 *N3 C1 1.36 119.83 -180.00 121.65 1.46 - - -! peptide probes -RESI PR1 1.0 ! Arginine guanidinium cation -GROU -ATOM NE NP -0.30 !modified from -0.4 -ATOM HE H 0.30 -ATOM CZ C 0.50 -GROU -ATOM NH1 NC -0.45 -ATOM HH11 HC 0.35 -ATOM HH12 HC 0.35 -GROU -ATOM NH2 NC -0.45 -ATOM HH21 HC 0.35 -ATOM HH22 HC 0.35 -BOND NE HE NE CZ CZ NH1 CZ NH2 NH1 HH11 -BOND NH1 HH12 NH2 HH21 NH2 HH22 -IMPH CZ NH1 NH2 NE NH1 HH12 HH11 CZ NH2 HH22 HH21 CZ -DONO HE NE -DONO HH11 NH1 -DONO HH12 NH1 -DONO HH21 NH2 -DONO HH22 NH2 -IC NH1 NE *CZ NH2 0.0000 0.00 180.00 0.00 0.0000 -IC CD CZ *NE HE 0.0000 0.00 180.00 0.00 0.0000 -IC NE CZ NH1 HH11 0.0000 0.00 180.00 0.00 0.0000 -IC HH11 CZ *NH1 HH12 0.0000 0.00 180.00 0.00 0.0000 -IC NE CZ NH2 HH21 0.0000 0.00 180.00 0.00 0.0000 -IC HH21 CZ *NH2 HH22 0.0000 0.00 180.00 0.00 0.0000 - -RESI PD1 -1.00! Aspartic acid acetate anion -GROU -ATOM CB CH2E 0.00 -ATOM CG C 0.14 -ATOM OD1 OC -0.57 -ATOM OD2 OC -0.57 -BOND CB CG CG OD1 CG OD2 -IMPH CG OD1 OD2 CB -ACCE OD1 CG -ACCE OD2 CG -IC OD1 CB *CG OD2 0.0000 0.00 180.00 0.00 0.0000 - -RESI PE1 -1.00 ! Glutamic acid propanoate anion -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG CH2E 0.00 -ATOM CD C 0.14 -ATOM OE1 OC -0.57 -ATOM OE2 OC -0.57 -BOND CB CG CG CD CD OE1 CD OE2 -IMPH CD OE1 OE2 CG -ACCE OE1 CD -ACCE OE2 CD -IC CB CG CD OE1 0.0000 0.00 180.00 0.00 0.0000 -IC OE1 CG *CD OE2 0.0000 0.00 180.00 0.00 0.0000 - -RESI PC1 0.00 ! Cysteine methanethiol -GROU -ATOM CB CH2E 0.19 -ATOM SG SH1E -0.19 -BOND CB SG - -RESI PH1 0.00 ! Histidine (uncharged with proton on nd1) -GROU ! probe1 -ATOM CB CH2E 0.00 -GROUP -ATOM CG C5R 0.10 -ATOM ND1 N5R -0.40 -ATOM HD1 H 0.30 -GROU -ATOM CD2 C5RE 0.10 -ATOM NE2 N5R -0.40 -ATOM CE1 C5RE 0.30 -BOND CB CG CG ND1 CG CD2 ND1 HD1 ND1 CE1 -BOND CD2 NE2 CE1 NE2 -IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 -IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 -IMPH CD2 CG ND1 CE1 -DONO HD1 ND1 -ACCE NE2 -IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 -IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 - -RESI PH2 0.00 ! Histidine isomer ( proton at ne2 ) -GROUP ! probe2 -ATOM CB CH2E 0.00 -GROUP -ATOM CG C5R 0.10 -ATOM ND1 N5R -0.40 -ATOM CE1 C5RE 0.30 -GROU -ATOM CD2 C5RE 0.10 -ATOM NE2 N5R -0.40 -ATOM HE2 H 0.30 -BOND CB CG CG ND1 CG CD2 ND1 CE1 CD2 NE2 -BOND CE1 NE2 NE2 HE2 -IMPH CG ND1 CD2 CB NE2 CE1 CD2 HE2 CG ND1 CE1 NE2 -IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 -IMPH CD2 CG ND1 CE1 -DONO HE2 NE2 -ACCE ND1 -IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 -IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 - -RESI PH3 1.00 ! Protonated HIS -GROU -ATOM CB CH2E 0.10 -ATOM CG C5R 0.15 -ATOM CD2 C5RE 0.20 -GROU -ATOM ND1 N5R -0.30 -ATOM HD1 H 0.35 -GROU -ATOM CE1 C5RE 0.45 -GROU -ATOM NE2 N5R -0.30 -ATOM HE2 H 0.35 -BOND CB CG CG ND1 CG CD2 ND1 HD1 ND1 CE1 -BOND CD2 NE2 CE1 NE2 NE2 HE2 -IMPH CG ND1 CD2 CB ND1 CG CE1 HD1 CG ND1 CE1 NE2 -IMPH ND1 CE1 NE2 CD2 CE1 NE2 CD2 CG NE2 CD2 CG ND1 -IMPH CD2 CG ND1 CE1 NE2 CD2 CE1 HE2 -DONO HD1 ND1 -DONO HE2 NE2 -IC CD2 CB *CG ND1 0.0000 0.00 180.00 0.00 0.0000 -IC CD2 CG ND1 CE1 0.0000 0.00 0.00 0.00 0.0000 -IC ND1 CG CD2 NE2 0.0000 0.00 0.00 0.00 0.0000 -IC CE1 CG *ND1 HD1 0.0000 0.00 180.00 0.00 0.0000 -IC CE1 CD2 *NE2 HE2 0.0000 0.00 180.00 0.00 0.0000 - -RESI PI1 0.00 ! Isoleucine butane -GROU -ATOM CB CH1E 0.00 -ATOM CG2 CH3E 0.00 -GROU -ATOM CG1 CH2E 0.00 -ATOM CD CH3E 0.00 -BOND CB CG1 CB CG2 CG1 CD - -RESI PI2 0.00 ! Isoleucine ethane -GROU -ATOM CG1 CH2E 0.00 -ATOM CD CH3E 0.00 -BOND CG1 CD - - -RESI PL1 0.00 ! Leucine isobutane -GROU -ATOM CB CH2E 0.00 -ATOM CG CH1E 0.00 -ATOM CD1 CH3E 0.00 -ATOM CD2 CH3E 0.00 -BOND CB CG CG CD1 CG CD2 -IMPH CG CD2 CD1 CB -IC CD1 CB *CG CD2 0.0000 0.00 120.00 0.00 0.0000 - -RESI PK1 1.00 ! Lysine ethylamine -GROU -ATOM CD CH2E 0.00 -GROU -ATOM CE CH2E 0.25 -ATOM NZ NT -0.30 -ATOM HZ1 HC 0.35 -ATOM HZ2 HC 0.35 -ATOM HZ3 HC 0.35 -BOND CD CE CE NZ NZ HZ1 NZ HZ2 NZ HZ3 -DONO HZ1 NZ -DONO HZ2 NZ -DONO HZ3 NZ -IC CD CE NZ HZ1 0.0000 0.00 180.00 0.00 0.0000 -IC HZ1 CE *NZ HZ2 0.0000 0.00 120.00 0.00 0.0000 -IC HZ2 CE *NZ HZ3 0.0000 0.00 120.00 0.00 0.0000 - -RESI PM1 0.00 ! Methionine dimethylsulfide -GROU -ATOM CG CH2E 0.06 -ATOM SD SE -0.12 -ATOM CE CH3E 0.06 -BOND CG SD SD CE - -RESI PP1 0.00 ! Proline pyrrolidine -GROU -ATOM N NX -0.25 -ATOM CD CH2E 0.10 -ATOM CA CH1E 0.15 ! modified from 0.10 -GROU -ATOM CB CH2E 0.00 -ATOM CG CH2E 0.00 -BOND N CA N CD CA CB CB CG CG CD -IC N CA CB CG 0.0000 0.00 0.00 108.00 0.0000 - -RESI PW1 0.00 ! Tryptophan indole -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG C5R -0.03 -ATOM CD2 CR56 0.10 -ATOM CE2 CR56 -0.04 -ATOM CE3 C6RE -0.03 -GROU -ATOM CD1 C5RE 0.06 -ATOM NE1 N5R -0.36 -ATOM HE1 H 0.30 -GROU -ATOM CZ2 C6RE 0.00 -ATOM CZ3 C6RE 0.00 -ATOM CH2 C6RE 0.00 -GROU -BOND CB CG CG CD1 CG CD2 CD1 NE1 CD2 CE2 -BOND NE1 HE1 NE1 CE2 CD2 CE3 CE2 CZ2 CE3 CZ3 -BOND CZ2 CH2 CZ3 CH2 -IMPH CG CD1 CD2 CB NE1 CD1 CE2 HE1 CD2 CE2 CZ2 CH2 -IMPH CE2 CZ2 CH2 CZ3 CZ2 CH2 CZ3 CE3 CH2 CZ3 CE3 CD2 -IMPH CZ3 CE3 CD2 CE2 CE3 CD2 CE2 CZ2 CG CD1 NE1 CE2 -IMPH CD1 NE1 CE2 CD2 NE1 CE2 CD2 CG CE2 CD2 CG CD1 -IMPH CD2 CG CD1 NE1 CD2 CG CE3 CE2 CE2 NE1 CZ2 CD2 -DONO HE1 NE1 -IC CD2 CB *CG CD1 0.0000 0.00 180.00 0.00 0.0000 -IC CD1 CG CD2 CE2 0.0000 0.00 0.00 0.00 0.0000 -IC CD2 CG CD1 NE1 0.0000 0.00 0.00 0.00 0.0000 -IC CE2 CD1 *NE1 HE1 0.0000 0.00 180.00 0.00 0.0000 -IC CE2 CG *CD2 CE3 0.0000 0.00 180.00 0.00 0.0000 -IC CE2 CD2 CE3 CZ3 0.0000 0.00 0.00 0.00 0.0000 -IC CE3 CD2 CE2 CZ2 0.0000 0.00 0.00 0.00 0.0000 -IC CD2 CE2 CZ2 CH2 0.0000 0.00 0.00 0.00 0.0000 - -RESI PV1 0.00 ! Valine propane -GROU -ATOM CB CH1E 0.00 -ATOM CG1 CH3E 0.00 -ATOM CG2 CH3E 0.00 -BOND CB CG1 CB CG2 - - -! more primary amines - -RESI R23 0.000 ! propylamine -GROUP -ATOM N NT -0.300 -ATOM C CH2E 0.000 -ATOM C3 CH2E 0.000 -ATOM C4 CH3E 0.000 -ATOM H1 H 0.150 -ATOM H2 H 0.150 -BOND N C -BOND N H1 -BOND N H2 -BOND C C3 -BOND C3 C4 - -RESI SAU 0.000 ! isopropylamine -GROUP -ATOM N1 NT -0.300 -ATOM C1 CH1E 0.000 -ATOM C2 CH3E 0.000 -ATOM C3 CH3E 0.000 -ATOM H1 H 0.150 -ATOM H2 H 0.150 -BOND N1 C1 -BOND C1 C2 -BOND C1 C3 -BOND N1 H1 -BOND N1 H2 -IMPH C1 C3 N1 C2 - -RESI SBF 0.000 ! t-butylamine -GROUP -ATOM N1 NT -0.300 -ATOM C1 CT 0.069 -ATOM C2 CH3E -0.023 -ATOM C3 CH3E -0.023 -ATOM C4 CH3E -0.023 -ATOM H1 H 0.150 -ATOM H2 H 0.150 -BOND N1 C1 -BOND C1 C2 -BOND C1 C3 -BOND C1 C4 -BOND N1 H1 -BOND N1 H2 - -RESI GTP -4.00 -ATOM PG PO4 1.110 -ATOM O1G O -0.550 -ATOM O2G O -0.550 -ATOM O3G O -0.550 -ATOM O3B OS -0.670 -ATOM PB PO4 1.110 -ATOM O1B O -0.550 -ATOM O2B O -0.550 -ATOM O3A OS -0.670 -ATOM PA PO4 1.110 -ATOM O1A O -0.550 -ATOM O2A O -0.550 -ATOM O5' OS -0.670 -ATOM C5' CH2E 0.229 -ATOM C4' CH1E 0.259 -ATOM O4' OE -0.370 -ATOM C3' CH1E 0.409 -ATOM O3' OT -0.650 -ATOM C2' CH1E 0.408 -ATOM O2' OT -0.650 -ATOM C1' CH1E 0.359 -ATOM N9 N5R -0.540 -ATOM C8 C5R 0.159 -ATOM N7 N5R -0.540 -ATOM C5 CR56 -0.100 -ATOM C6 C6R 0.409 -ATOM O6 O -0.550 -ATOM N1 N6R -0.770 -ATOM C2 C6R 1.028 -ATOM N2 NP -0.400 -ATOM N3 N6R -0.710 -ATOM C4 CR56 0.550 -BOND PG O1G -BOND PG O2G -BOND PG O3G -BOND PG O3B -BOND O3B PB -BOND PB O1B -BOND PB O2B -BOND PB O3A -BOND O3A PA -BOND PA O1A -BOND PA O2A -BOND PA O5' -BOND O5' C5' -BOND C5' C4' -BOND C4' O4' -BOND C4' C3' -BOND O4' C1' -BOND C3' O3' -BOND C3' C2' -BOND C2' O2' -BOND C2' C1' -BOND C1' N9 -BOND N9 C8 -BOND N9 C4 -BOND C8 N7 -BOND N7 C5 -BOND C5 C6 -BOND C5 C4 -BOND C6 O6 -BOND C6 N1 -BOND N1 C2 -BOND C2 N2 -BOND C2 N3 -BOND N3 C4 - -RESI GNP -4.00 -ATOM PG PO4 1.110 -ATOM O1G O -0.550 -ATOM O2G O -0.550 -ATOM O3G O -0.550 -ATOM N3B OS -0.670 -ATOM PB PO4 1.110 -ATOM O1B O -0.550 -ATOM O2B O -0.550 -ATOM O3A OS -0.670 -ATOM PA PO4 1.110 -ATOM O1A O -0.550 -ATOM O2A O -0.550 -ATOM O5' OS -0.670 -ATOM C5' CH2E 0.229 -ATOM C4' CH1E 0.259 -ATOM O4' OE -0.370 -ATOM C3' CH1E 0.409 -ATOM O3' OT -0.650 -ATOM C2' CH1E 0.408 -ATOM O2' OT -0.650 -ATOM C1' CH1E 0.359 -ATOM N9 N5R -0.540 -ATOM C8 C5R 0.159 -ATOM N7 N5R -0.540 -ATOM C5 CR56 -0.100 -ATOM C6 C6R 0.409 -ATOM O6 O -0.550 -ATOM N1 N6R -0.770 -ATOM C2 C6R 1.028 -ATOM N2 NP -0.400 -ATOM N3 N6R -0.710 -ATOM C4 CR56 0.550 -BOND PG O1G -BOND PG O2G -BOND PG O3G -BOND PG N3B -BOND N3B PB -BOND PB O1B -BOND PB O2B -BOND PB O3A -BOND O3A PA -BOND PA O1A -BOND PA O2A -BOND PA O5' -BOND O5' C5' -BOND C5' C4' -BOND C4' O4' -BOND C4' C3' -BOND O4' C1' -BOND C3' O3' -BOND C3' C2' -BOND C2' O2' -BOND C2' C1' -BOND C1' N9 -BOND N9 C8 -BOND N9 C4 -BOND C8 N7 -BOND N7 C5 -BOND C5 C6 -BOND C5 C4 -BOND C6 O6 -BOND C6 N1 -BOND N1 C2 -BOND C2 N2 -BOND C2 N3 -BOND N3 C4 - -RESI MG 2.00 -ATOM MG MMG 2.00 - -RESI MSE 0.00 ! Methionine -GROU -ATOM N NP -0.40 -ATOM H H 0.25 -ATOM CA CH1E 0.10 -GROU -ATOM CB CH2E 0.00 -GROU -ATOM CG CH2E 0.06 -ATOM SE SE -0.12 -ATOM CE CH3E 0.06 -GROU -ATOM C C 0.60 -ATOM O O -0.55 -BOND N CA CA C C +N C O N H -BOND CA CB CB CG CG SE SE CE -IMPH N -C CA H C CA +N O CA N C CB -DONO H N -ACCE O C -IC -C CA *N H 0.0000 0.00 180.00 0.00 0.0000 -IC -C N CA C 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C +N 0.0000 0.00 180.00 0.00 0.0000 -IC +N CA *C O 0.0000 0.00 180.00 0.00 0.0000 -IC N CA C O 0.0000 0.00 180.00 0.00 0.0000 !DB fix -IC CA C +N +CA 0.0000 0.00 180.00 0.00 0.0000 -IC N C *CA CB 0.0000 0.00 120.00 0.00 0.0000 -IC N CA CB CG 0.0000 0.00 180.00 0.00 0.0000 -IC CA CB CG SE 0.0000 0.00 180.00 0.00 0.0000 -IC CB CG SE CE 0.0000 0.00 180.00 0.00 0.0000 - - -RESI RIM -0.0000 -ATOM CA CH3E 0.0282 -ATOM CB CH1E 0.2265 -ATOM NC NT -0.902500 -ATOM CD CT -0.084300 -ATOM CE1 CH2E 0.0114 -ATOM CE2 CH2E 0.0246 -ATOM CE3 CH2E 0.0118 -ATOM CF1 CH1E -0.0135 -ATOM CF2 CH1E -0.0146 -ATOM CF3 CH1E -0.0136 -ATOM CG1 CH2E 0.0122 -ATOM CG2 CH2E 0.0131 -ATOM CG3 CH2E 0.0106 -ATOM HNC1 H 0.347600 -ATOM HNC2 H 0.342500 - -BOND CA CB ! dist 1.5357 -BOND CB NC ! dist 1.4890 -BOND CB CD ! dist 1.5517 -BOND NC HNC1 ! dist 0.9800 -BOND NC HNC2 ! dist 0.9805 -BOND CD CE1 ! dist 1.5384 -BOND CD CE2 ! dist 1.5411 -BOND CD CE3 ! dist 1.5347 -BOND CE1 CF1 ! dist 1.5330 -BOND CE2 CF2 ! dist 1.5300 -BOND CE3 CF3 ! dist 1.5285 -BOND CF1 CG1 ! dist 1.5245 -BOND CF1 CG3 ! dist 1.5226 -BOND CF2 CG1 ! dist 1.5230 -BOND CF2 CG2 ! dist 1.5212 -BOND CF3 CG2 ! dist 1.5214 -BOND CF3 CG3 ! dist 1.5224 - -ANGL CA CB NC ! angle 109.0421 -ANGL CA CB CD ! angle 111.9613 -ANGL CB NC HNC1 ! angle 119.8944 -ANGL CB NC HNC2 ! angle 119.9485 -ANGL CB CD CE1 ! angle 110.5312 -ANGL CB CD CE2 ! angle 111.1951 -ANGL CB CD CE3 ! angle 107.8194 -ANGL NC CB CD ! angle 109.2896 -ANGL CD CE1 CF1 ! angle 109.3525 -ANGL CD CE2 CF2 ! angle 109.4758 -ANGL CD CE3 CF3 ! angle 110.0076 -ANGL CE1 CD CE2 ! angle 109.2707 -ANGL CE1 CD CE3 ! angle 108.8290 -ANGL CE1 CF1 CG1 ! angle 109.6727 -ANGL CE1 CF1 CG3 ! angle 109.2739 -ANGL CE2 CD CE3 ! angle 109.1442 -ANGL CE2 CF2 CG1 ! angle 108.8928 -ANGL CE2 CF2 CG2 ! angle 109.8070 -ANGL CE3 CF3 CG2 ! angle 109.0296 -ANGL CE3 CF3 CG3 ! angle 109.4002 -ANGL CF1 CG1 CF2 ! angle 110.0602 -ANGL CF1 CG3 CF3 ! angle 109.9444 -ANGL CF2 CG2 CF3 ! angle 109.9644 -ANGL CG1 CF1 CG3 ! angle 109.2341 -ANGL CG1 CF2 CG2 ! angle 109.5282 -ANGL CG2 CF3 CG3 ! angle 109.5724 -ANGL HNC1 NC HNC2 ! angle 120.0219 - -DIHE CA CB NC HNC1 ! dihe -170.6664 -DIHE CD CB NC HNC1 ! dihe 66.6526 -DIHE CA CB NC HNC2 ! dihe 5.1081 -DIHE CD CB NC HNC2 ! dihe -117.5730 -DIHE CA CB CD CE1 ! dihe -81.9256 -DIHE NC CB CD CE1 ! dihe 38.9947 -DIHE CA CB CD CE2 ! dihe 39.6222 -DIHE NC CB CD CE2 ! dihe 160.5425 -DIHE CA CB CD CE3 ! dihe 159.2333 -DIHE NC CB CD CE3 ! dihe -79.8464 -DIHE CB CD CE1 CF1 ! dihe -178.1503 -DIHE CE2 CD CE1 CF1 ! dihe 59.1716 -DIHE CE3 CD CE1 CF1 ! dihe -59.9242 -DIHE CB CD CE2 CF2 ! dihe 177.5472 -DIHE CE1 CD CE2 CF2 ! dihe -60.1723 -DIHE CE3 CD CE2 CF2 ! dihe 58.7279 -DIHE CB CD CE3 CF3 ! dihe 179.5736 -DIHE CE1 CD CE3 CF3 ! dihe 59.6511 -DIHE CE2 CD CE3 CF3 ! dihe -59.5238 -DIHE CD CE1 CF1 CG1 ! dihe -59.2156 -DIHE CD CE1 CF1 CG3 ! dihe 60.4962 -DIHE CD CE2 CF2 CG1 ! dihe 60.5986 -DIHE CD CE2 CF2 CG2 ! dihe -59.3207 -DIHE CD CE3 CF3 CG2 ! dihe 60.1981 -DIHE CD CE3 CF3 CG3 ! dihe -59.6139 -DIHE CE1 CF1 CG1 CF2 ! dihe 60.3093 -DIHE CG3 CF1 CG1 CF2 ! dihe -59.4268 -DIHE CE1 CF1 CG3 CF3 ! dihe -60.4774 -DIHE CG1 CF1 CG3 CF3 ! dihe 59.5044 -DIHE CE2 CF2 CG1 CF1 ! dihe -60.7628 -DIHE CG2 CF2 CG1 CF1 ! dihe 59.3291 -DIHE CE2 CF2 CG2 CF3 ! dihe 60.3707 -DIHE CG1 CF2 CG2 CF3 ! dihe -59.1609 -DIHE CE3 CF3 CG2 CF2 ! dihe -60.3711 -DIHE CG3 CF3 CG2 CF2 ! dihe 59.3344 -DIHE CE3 CF3 CG3 CF1 ! dihe 59.8788 -DIHE CG2 CF3 CG3 CF1 ! dihe -59.5993 - - - - -RESI HEC 0.00000 -GROU -ATOM FE FE 1.66 -ATOM NA NP -0.25 -ATOM NB NP -0.25 -ATOM NC NP -0.25 -ATOM ND NP -0.25 -GROU -ATOM C1A C 0.06 -ATOM CHA CR1E 0.07 -ATOM C4D C 0.05 -GROU -ATOM C1B C 0.06 -ATOM CHB CR1E 0.07 -ATOM C4A C 0.05 -GROU -ATOM C1C C 0.06 -ATOM CHC CR1E 0.07 -ATOM C4B C 0.05 -GROU -ATOM C1D C 0.06 -ATOM CHD CR1E 0.07 -ATOM C4C C 0.05 -GROU -ATOM C2A C -0.01 -ATOM CAA CH2E 0.05 -GROU -ATOM C3A C 0.03 -ATOM CMA CH3E -0.03 -GROU -ATOM CBA CH2E -0.07 -ATOM CGA C 0.33 -ATOM O1A OC -0.47 -ATOM O2A OC -0.47 -GROU -ATOM C2B C 0.03 -ATOM CMB CH3E -0.03 -GROU -ATOM C3B C -0.02 -ATOM CAB CR1E 0.06 -ATOM CBB CH2E -0.07 -GROU -ATOM C2C C 0.03 -ATOM CMC CH3E -0.03 -GROU -ATOM C3C C -0.02 -ATOM CAC CR1E 0.06 -ATOM CBC CH2E -0.07 -GROU -ATOM C2D C 0.03 -ATOM CMD CH3E -0.03 -GROU -ATOM C3D C -0.03 -ATOM CAD CH2E 0.03 -GROU -ATOM CBD CH2E -0.07 -ATOM CGD C 0.33 -ATOM O1D OC -0.47 -ATOM O2D OC -0.47 -BOND FE NA FE NB FE NC FE ND NA C1A -BOND C1A C2A C2A C3A C3A C4A NA C4A C2A CAA -BOND CAA CBA CBA CGA CGA O1A CGA O2A C3A CMA -BOND CHB C4A CHB C1B NB C1B C1B C2B C2B C3B -BOND C3B C4B NB C4B C2B CMB C3B CAB CAB CBB -BOND CHC C4B CHC C1C NC C1C C1C C2C C2C C3C -BOND C3C C4C NC C4C C2C CMC C3C CAC CAC CBC -BOND CHD C4C CHD C1D ND C1D C1D C2D C2D C3D -BOND C3D C4D ND C4D C2D CMD C3D CAD CAD CBD -BOND CBD CGD CGD O1D CGD O2D CHA C4D CHA C1A -DIHE NA C4A CHB C1B C4A CHB C1B NB NB C4B CHC C1C -DIHE C4B CHC C1C NC NC C4C CHD C1D C4C CHD C1D ND -DIHE ND C4D CHA C1A C4D CHA C1A NA C1A C2A CAA CBA -DIHE C2A CAA CBA CGA CAA CBA CGA O1A C2B C3B CAB CBB -DIHE C2C C3C CAC CBC C2D C3D CAD CBD C3D CAD CBD CGD -DIHE CAD CBD CGD O1D -IMPH FE C1A C4A NA FE C1B C4B NB FE C1C C4C NC -IMPH FE C1D C4D ND CHA NA C2A C1A CHB NA C3A C4A -IMPH CHB NB C2B C1B CHC NB C3B C4B CHC NC C2C C1C -IMPH CHD NC C3C C4C CHD ND C2D C1D CHA ND C3D C4D -IMPH C2A C1A C3A CAA C3A C2A C4A CMA C2B C1B C3B CMB -IMPH C3B C2B C4B CAB C2C C1C C3C CMC C3C C2C C4C CAC -IMPH C2D C1D C3D CMD C3D C2D C4D CAD CBA O1A O2A CGA -IMPH CBD O1D O2D CGD -ACCE NA -ACCE O1A CGA -ACCE O2A CGA -ACCE NB -ACCE NC -ACCE ND -ACCE O1D CGD -ACCE O2D CGD -PATC FIRS NONE LAST NONE - - - -RESI HEM 0.00000 -GROU -ATOM FE FE 1.66 -ATOM NA NP -0.25 -ATOM NB NP -0.25 -ATOM NC NP -0.25 -ATOM ND NP -0.25 -GROU -ATOM C1A C 0.06 -ATOM CHA CR1E 0.07 -ATOM C4D C 0.05 -GROU -ATOM C1B C 0.06 -ATOM CHB CR1E 0.07 -ATOM C4A C 0.05 -GROU -ATOM C1C C 0.06 -ATOM CHC CR1E 0.07 -ATOM C4B C 0.05 -GROU -ATOM C1D C 0.06 -ATOM CHD CR1E 0.07 -ATOM C4C C 0.05 -GROU -ATOM C2A C -0.01 -ATOM CAA CH2E 0.05 -GROU -ATOM C3A C 0.03 -ATOM CMA CH3E -0.03 -GROU -ATOM CBA CH2E -0.07 -ATOM CGA C 0.33 -ATOM O1A OC -0.47 -ATOM O2A OC -0.47 -GROU -ATOM C2B C 0.03 -ATOM CMB CH3E -0.03 -GROU -ATOM C3B C -0.02 -ATOM CAB CR1E 0.06 -ATOM CBB CH2E -0.07 -GROU -ATOM C2C C 0.03 -ATOM CMC CH3E -0.03 -GROU -ATOM C3C C -0.02 -ATOM CAC CR1E 0.06 -ATOM CBC CH2E -0.07 -GROU -ATOM C2D C 0.03 -ATOM CMD CH3E -0.03 -GROU -ATOM C3D C -0.03 -ATOM CAD CH2E 0.03 -GROU -ATOM CBD CH2E -0.07 -ATOM CGD C 0.33 -ATOM O1D OC -0.47 -ATOM O2D OC -0.47 -BOND FE NA FE NB FE NC FE ND NA C1A -BOND C1A C2A C2A C3A C3A C4A NA C4A C2A CAA -BOND CAA CBA CBA CGA CGA O1A CGA O2A C3A CMA -BOND CHB C4A CHB C1B NB C1B C1B C2B C2B C3B -BOND C3B C4B NB C4B C2B CMB C3B CAB CAB CBB -BOND CHC C4B CHC C1C NC C1C C1C C2C C2C C3C -BOND C3C C4C NC C4C C2C CMC C3C CAC CAC CBC -BOND CHD C4C CHD C1D ND C1D C1D C2D C2D C3D -BOND C3D C4D ND C4D C2D CMD C3D CAD CAD CBD -BOND CBD CGD CGD O1D CGD O2D CHA C4D CHA C1A -DIHE NA C4A CHB C1B C4A CHB C1B NB NB C4B CHC C1C -DIHE C4B CHC C1C NC NC C4C CHD C1D C4C CHD C1D ND -DIHE ND C4D CHA C1A C4D CHA C1A NA C1A C2A CAA CBA -DIHE C2A CAA CBA CGA CAA CBA CGA O1A C2B C3B CAB CBB -DIHE C2C C3C CAC CBC C2D C3D CAD CBD C3D CAD CBD CGD -DIHE CAD CBD CGD O1D -IMPH FE C1A C4A NA FE C1B C4B NB FE C1C C4C NC -IMPH FE C1D C4D ND CHA NA C2A C1A CHB NA C3A C4A -IMPH CHB NB C2B C1B CHC NB C3B C4B CHC NC C2C C1C -IMPH CHD NC C3C C4C CHD ND C2D C1D CHA ND C3D C4D -IMPH C2A C1A C3A CAA C3A C2A C4A CMA C2B C1B C3B CMB -IMPH C3B C2B C4B CAB C2C C1C C3C CMC C3C C2C C4C CAC -IMPH C2D C1D C3D CMD C3D C2D C4D CAD CBA O1A O2A CGA -IMPH CBD O1D O2D CGD -ACCE NA -ACCE O1A CGA -ACCE O2A CGA -ACCE NB -ACCE NC -ACCE ND -ACCE O1D CGD -ACCE O2D CGD -PATC FIRS NONE LAST NONE - - -RESI AMD 0.000 -GROUP -ATOM C1 CH1E 0.426653 -ATOM C2 CH2E -0.297766 -ATOM C3 CH1E 0.426653 -ATOM C4 CH2E -0.29776 -ATOM C5 CH1E 0.426653 -ATOM C6 CH2E -0.297766 -ATOM C7 CH2E -0.32135 -ATOM C8 CT 0.976703 -ATOM N1 NT -1.129448 -ATOM C9 CH2E -0.32135 -ATOM C10 CH2E -0.32135 -ATOM H12 H 0.365069 -ATOM H13 H 0.365069 - -BOND C1 C2 ! dist 1.5429 -BOND C1 C6 ! dist 1.5226 -BOND C1 C9 ! dist 1.5863 -BOND C2 C3 ! dist 1.5976 -BOND C3 C4 ! dist 1.5647 -BOND C3 C10 ! dist 1.5940 -BOND C4 C5 ! dist 1.5545 -BOND C5 C6 ! dist 1.5888 -BOND C5 C7 ! dist 1.6067 -BOND C7 C8 ! dist 1.5533 -BOND C8 N1 ! dist 1.5390 -BOND C8 C9 ! dist 1.5993 -BOND C8 C10 ! dist 1.5305 -BOND N1 H12 ! dist 1.1197 -BOND N1 H13 ! dist 1.1196 - -ANGL C1 C2 C3 ! angle 111.1112 -ANGL C1 C6 C5 ! angle 107.6620 -ANGL C1 C9 C8 ! angle 115.6590 -ANGL C2 C1 C6 ! angle 104.8547 -ANGL C2 C1 C9 ! angle 107.1044 -ANGL C2 C3 C4 ! angle 107.6548 -ANGL C2 C3 C10 ! angle 118.3317 -ANGL C3 C4 C5 ! angle 105.3411 -ANGL C3 C10 C8 ! angle 105.1404 -ANGL C4 C3 C10 ! angle 107.5762 -ANGL C4 C5 C6 ! angle 109.6014 -ANGL C4 C5 C7 ! angle 104.7225 -ANGL C5 C7 C8 ! angle 111.1617 -ANGL C6 C1 C9 ! angle 110.9050 -ANGL C6 C5 C7 ! angle 116.9895 -ANGL C7 C8 N1 ! angle 116.2277 -ANGL C7 C8 C9 ! angle 103.2819 -ANGL C7 C8 C10 ! angle 103.0871 -ANGL C8 N1 H12 ! angle 109.4641 -ANGL C8 N1 H13 ! angle 109.4802 -ANGL N1 C8 C9 ! angle 112.3829 -ANGL N1 C8 C10 ! angle 104.4884 -ANGL C9 C8 C10 ! angle 117.5128 -ANGL H12 N1 H13 ! angle 109.4383 - -DIHE C6 C1 C2 C3 ! dihe 64.4041 -DIHE C9 C1 C2 C3 ! dihe -53.4913 -DIHE C2 C1 C6 C5 ! dihe -64.6066 -DIHE C9 C1 C6 C5 ! dihe 50.6729 -DIHE C2 C1 C9 C8 ! dihe 51.6097 -DIHE C6 C1 C9 C8 ! dihe -62.2610 -DIHE C1 C2 C3 C4 ! dihe -63.4537 -DIHE C1 C2 C3 C10 ! dihe 58.6617 -DIHE C2 C3 C4 C5 ! dihe 60.0614 -DIHE C10 C3 C4 C5 ! dihe -68.4916 -DIHE C2 C3 C10 C8 ! dihe -50.3109 -DIHE C4 C3 C10 C8 ! dihe 71.8442 -DIHE C3 C4 C5 C6 ! dihe -63.8688 -DIHE C3 C4 C5 C7 ! dihe 62.4069 -DIHE C4 C5 C6 C1 ! dihe 68.1069 -DIHE C7 C5 C6 C1 ! dihe -50.8471 -DIHE C4 C5 C7 C8 ! dihe -65.4654 -DIHE C6 C5 C7 C8 ! dihe 56.0738 -DIHE C5 C7 C8 N1 ! dihe -178.6381 -DIHE C5 C7 C8 C9 ! dihe -55.1021 -DIHE C5 C7 C8 C10 ! dihe 67.7297 -DIHE C7 C8 N1 H12 ! dihe 169.3417 -DIHE C9 C8 N1 H12 ! dihe 50.6650 -DIHE C10 C8 N1 H12 ! dihe -77.8273 -DIHE C7 C8 N1 H13 ! dihe -70.6975 -DIHE C9 C8 N1 H13 ! dihe 170.6258 -DIHE C10 C8 N1 H13 ! dihe 42.1335 -DIHE C7 C8 C9 C1 ! dihe 61.6076 -DIHE N1 C8 C9 C1 ! dihe -172.3561 -DIHE C10 C8 C9 C1 ! dihe -51.0530 -DIHE C7 C8 C10 C3 ! dihe -67.6373 -DIHE N1 C8 C10 C3 ! dihe 170.4451 -DIHE C9 C8 C10 C3 ! dihe 45.1323 -END -END diff --git a/examples/example1/pointsprings-xl.txt b/examples/example1/pointsprings-xl.txt deleted file mode 100644 index c4d7ebc..0000000 --- a/examples/example1/pointsprings-xl.txt +++ /dev/null @@ -1,26 +0,0 @@ -1 -24 8 30.381 5.877 14.905 -3599 C1 -3600 C2 -3601 C3 -3602 C4 -3603 C5 -3604 C6 -3605 C7 -3606 C8 -3607 O1 -3608 C9 -3609 C10 -3610 O2 -3611 N1 -3612 C11 -3613 C12 -3614 O3 -3615 N2 -3616 C13 -3617 C14 -3618 C15 -3619 C16 -3620 N3 -3621 C17 -3622 C18 diff --git a/examples/example1/pointsprings.txt b/examples/example1/pointsprings.txt deleted file mode 100644 index 6ff31e4..0000000 --- a/examples/example1/pointsprings.txt +++ /dev/null @@ -1,4 +0,0 @@ -1 -1 8 27.292 1.371 23.364 -3599 C1 - diff --git a/examples/example1/run.sh b/examples/example1/run.sh deleted file mode 100755 index 012529e..0000000 --- a/examples/example1/run.sh +++ /dev/null @@ -1,49 +0,0 @@ -#!/bin/bash -e - -exe=../../cmake-build-release/minimize -outdir=output -mkdir -p $outdir - - -echo Minimize rec -name=$outdir/rec-min -$exe --prm parm.prm --rtf pdbamino.rtf --pdb BACE_4.rec.pdb --psf BACE_4.psf --out $name.pdb --nsteps 100 --json-log $name.json - -echo Minimize rec 2 models -name=$outdir/rec2-min -$exe --prm parm.prm --rtf pdbamino.rtf --pdb BACE_4.rec.2models.pdb --psf BACE_4.psf --out $name.pdb --nsteps 100 --json-log $name.json - -echo Rec+lig orig -name=$outdir/rec-lig-orig -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --out $name.pdb --nsteps 0 - -echo Score rec + lig -name=$outdir/rec-lig-score -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --out $name.pdb --score_only --json-log $name.json - -echo Minimize rec + lig -name=$outdir/rec-lig-min -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --out $name.pdb --nsteps 1000 --json-log $name.json --fixed-pdb BACE_4.rec.pdb - -echo Minimize rec + lig 2 models -name=$outdir/rec2-lig2-min -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.2models.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --lig-pdb BACE_4.lig.2modelsclose.pdb --out $name.pdb --nsteps 1000 --json-log $name.json --fixed-pdb BACE_4.rec.pdb - -echo Minimize rec + lig 2 models and pointsprings -name=$outdir/rec2-lig2-pointspr -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.2models.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --lig-pdb BACE_4.lig.2modelsfar.pdb --out $name.pdb --nsteps 1000 --json-log $name.json --fixed-pdb BACE_4.rec.pdb --pointsprings pointsprings.txt - -echo Minimize rec + lig 2 models and pairsprings -name=$outdir/rec2-lig2-pairspr -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.2models.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --lig-pdb BACE_4.lig.2modelsfar.pdb --out $name.pdb --nsteps 1000 --json-log $name.json --fixed-pdb BACE_4.rec.pdb --pairsprings pairsprings.txt - -echo Minimize rec + lig 2 models and density -name=$outdir/rec2-lig2-density -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.2models.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --lig-pdb BACE_4.lig.2modelsclose.pdb --out $name.pdb --nsteps 1000 --json-log $name.json --fixed-pdb BACE_4.rec.pdb --fitting-pdblist <(echo density.pdb) --fitting-weight 10.0 - -echo Minimize rec + lig 2 models and density and pointsprings-xl -name=$outdir/rec2-lig2-pointspr-density -$exe --prm parm.prm --rtf pdbamino.rtf --rec-pdb BACE_4.rec.2models.pdb --rec-psf BACE_4.psf --lig-json BACE_4.json --lig-pdb BACE_4.lig.2modelsclose.pdb --out $name.pdb --nsteps 1000 --json-log $name.json --fixed-pdb BACE_4.rec.pdb --fitting-pdblist <(echo density.pdb) --fitting-weight 10.0 --pointsprings pointsprings-xl.txt - - - diff --git a/examples/usage/README.md b/examples/usage/README.md index 290c6f6..bc1fba8 100644 --- a/examples/usage/README.md +++ b/examples/usage/README.md @@ -2,7 +2,7 @@ Run ``` -../build/nrgmin --setup-json setup.json +../../build/nrgmin --setup-json setup.json ``` The output will be in files `out.pdb` and `out.json`, which contains energy terms. `setup.json` has three @@ -10,11 +10,11 @@ minimization stages and `out.json` will record final energy values for each stag want to print every step, for example you can run ``` -../build/nrgmin --setup-json setup.json --print-step +../../build/nrgmin --setup-json setup.json --print-step ``` Or add `"print_step": true` to `"options"` field in `setup.json` and rerun ``` -../build/nrgmin --setup-json setup.json +../../build/nrgmin --setup-json setup.json ``` \ No newline at end of file diff --git a/src/parse_options.c b/src/parse_options.c index 14b6997..e54ceaa 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -132,7 +132,7 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) json_error_t error; - /*int code = json_unpack_ex( + int code = json_unpack_ex( dict, &error, JSON_STRICT, "{s?i, s?i " @@ -183,15 +183,7 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) "noe_txt", &opts->noe_txt, "noe_json", &opts->noe_json, "density_json", &opts->density_json - );*/ - - int code = json_unpack_ex( - dict, &error, JSON_STRICT, - - "{s?i}", - - // integer options - "nsteps", &opts->nsteps); + ); if (code != 0) { JSON_ERR_MSG(error, "Couldn't parse setup from json"); From f3adea596ecd685593ca354e96905ea372946d59 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Mon, 11 May 2020 19:15:45 -0400 Subject: [PATCH 16/31] Added flags to README --- README.md | 86 +++++++++++++++++++++++++++++++++++++++++++++++++++++-- 1 file changed, 84 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index ed02b48..27df59d 100644 --- a/README.md +++ b/README.md @@ -8,7 +8,7 @@ Utility for molecular mechanics energy minimization 2. Build minimization executable mkdir build && cd build - cmake -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTS .. + cmake -DCMAKE_BUILD_TYPE=Release -DBUILD_TESTS=ON .. make && make test 3. The binary is in `build/nrgmin` @@ -140,4 +140,86 @@ set there as well. ### Examples -More setup examples are [here](./examples/energy_setup) and usage examples [here](./examples/usage). \ No newline at end of file +More setup examples are [here](./examples/energy_setup) and usage examples [here](./examples/usage). + +### All flags + +#### Input/Output + +Output control: + + --out-pdb Where to write the minimized molecule(s) + --out-json Log file with energy terms + --print-step Log energies for every step + --print-stage Log energies for every stage + --print-noe-matrix Log NOE matrix is NOE calculation is on + --verbosity 0 - QUIET, 1 - ERROR, 2 - WARNING, 3 - INFO, >=4 - DEBUG + + +Single file mode: + + --psf Geometry + --prm Forcefield parameters + --rtf Topology file with residues description + --pdb Atom coordinates (can contain multiple models) + --json Json file with coordinates, geometry and force field parameters + +Parameters for rec/lig mode + + --rec-psf Receptor geometry + --rec-prm Receptor forcefield parameters + --rec-rtf Receptor topology file + --rec-pdb Receptor atom coordinates (can contain multiple models) + --rec-json Receptor json file with coordinates, geometry and force field parameters + --lig-psf Ligand geometry + --lig-prm Ligand forcefield parameters + --lig-rtf Ligand topology file with residues description + --lig-pdb Ligand atom coordinates (can contain multiple models) + --lig-json Ligand json file with coordinates, geometry and force field parameters + + +#### Minimization setup + + --nsteps Number of minimization steps + +Energy terms switches. Everything is on by default except for GBSA + + --bonds-on/--bonds-off Bonds energy term + --angles-on/--angles-off Angles + --dihedrals-on/--dihedrals-off Dihedrals + --impropers-on/--impropers-on Impropers + --vdw-on/--vdw-off VDW + --vdw03-on/--vdw03-off 1-4 VDW + --gbsa-on/gbsa-off GBSA + +Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms) + + --fixed-pdb PDB file with fixed atoms. Only atom ID is read (lines starting with ATOM) + --fix-receptor Fix receptor atoms (works only in rec/lig mode) + --fix-ligand Fix ligand atoms (works only in rec/lig mode) + +Distance restraints + + --pair-springs-txt Text file setup for pairwise restraints + --point-springs-txt Text file setup for pointwise restraints + +NOE setup + + --noe-txt Text file setup for NOE + --noe-json Json file setup for NOE + +Density setup + + --density-json Json file setup for density fitting + +Global setup in json format + + --setup-json This file duplicates all the other options. It also allows for + multistage minimization protocol, where each stage can have + different minimization terms + +Miscellaneous + + --score-only Score only without doing minimization + --help Show this message and exit + From 5b638cd866004f53aaab61b53b19d7e0bd06c890 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Mon, 11 May 2020 19:32:05 -0400 Subject: [PATCH 17/31] Fixed json bug in parse_options.c --- src/parse_options.c | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/parse_options.c b/src/parse_options.c index e54ceaa..6c9b97a 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -135,10 +135,10 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) int code = json_unpack_ex( dict, &error, JSON_STRICT, - "{s?i, s?i " - " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b " - " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s " - " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s}", + "{s?i, s?i, " + " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, " + " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, " + " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s}", // integer options "nsteps", &opts->nsteps, From 4b063c400b5f810dd58c305f7387306a262827b9 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Tue, 12 May 2020 00:01:40 -0400 Subject: [PATCH 18/31] Colored printing and minor fixes --- src/minimize.c | 2 +- src/parse_options.c | 27 +++++++-------------------- src/setup.c | 44 ++++++++++++++++++++++++++++++-------------- src/utils.h | 22 +++++++++++++++++----- 4 files changed, 55 insertions(+), 40 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index 1dae1e4..c768351 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -159,6 +159,6 @@ int main(int argc, char **argv) { energy_prms_free(&min_prms, nstages); options_free(opts); - INFO_MSG("Completed\n"); + INFO_MSG("Completed"); return EXIT_SUCCESS; } diff --git a/src/parse_options.c b/src/parse_options.c index 6c9b97a..e06c9f1 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -6,20 +6,6 @@ #include "utils.h" -#define _STRINGIZE_AND_REPLACE_UNDERSCORE(arg, sep, dst) do { \ - char str_arg[] = #arg; \ - char* dot_pos; \ - if ((dot_pos = strchr(str_arg, (sep))) != NULL) { \ - dot_pos = dot_pos + 1; \ - } \ - char* dash_pos = dot_pos; \ - while ((dash_pos = strchr(dash_pos, '_')) != NULL) { \ - *dash_pos = '-'; \ - }; \ - dst = dot_pos; \ -} while (0) - - /** * Stringize "arg" find the dot, replace "-" with "_" and compare to "value" */ @@ -200,7 +186,7 @@ static int _check_prms(struct options *opts) bool rec_sep = false; bool lig_sep = false; - VERBOSITY = opts->verbosity; + VERBOSITY = opts->verbosity >= 0 ? opts->verbosity : 0; // Unpack setup json first and fill the global options if there are any if (opts->setup_json) { @@ -211,13 +197,11 @@ static int _check_prms(struct options *opts) if (!_fill_prms_from_json(opts, setup)) { json_decref(setup); - //ERR_MSG("Couldn't parse options from --setup-json"); return 1; } - //json_decref(setup); opts->setup_json_root = setup; - VERBOSITY = opts->verbosity; + VERBOSITY = opts->verbosity >= 0 ? opts->verbosity : 0; } if (opts->json || opts->pdb || opts->psf || opts->prm || opts->rtf) { @@ -284,6 +268,7 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo { {"out-pdb", required_argument, 0, 0}, {"out-json", required_argument, 0, 0}, + {"verbosity", required_argument, 0, 0}, {"print-step", no_argument, &prms.print_step, 1}, {"print-stage", no_argument, &prms.print_stage, 1}, @@ -339,7 +324,6 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo {"fix-receptor", no_argument, &prms.fix_receptor, 1}, {"fix-ligand", no_argument, &prms.fix_ligand, 1}, {"score-only", no_argument, &prms.score_only, 1}, - {"verbosity", no_argument, &prms.verbosity, 1}, {"help", no_argument, 0, 'h'}, {0, 0, 0, 0} @@ -358,7 +342,7 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo case 0: if (long_options[option_index].flag != 0) break; - DEBUG_MSG("Option %s = %s", long_options[option_index].name, optarg); + //DEBUG_MSG("Option %s = %s", long_options[option_index].name, optarg); break; case 'h': @@ -403,6 +387,9 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo if (strcmp("nsteps", long_options[option_index].name) == 0) { prms.nsteps = atoi(optarg); } + if (strcmp("verbosity", long_options[option_index].name) == 0) { + prms.verbosity = atoi(optarg); + } } if (_check_prms(&prms) != 0) { diff --git a/src/setup.c b/src/setup.c index 309f299..2b465ca 100644 --- a/src/setup.c +++ b/src/setup.c @@ -38,7 +38,7 @@ static struct mol_atom_group_list *_read_ag_list( const char *json, const int score_only) { - DEBUG_MSG("Started reading a new atom group\n"); + DEBUG_MSG("Started reading a new atom group"); struct mol_atom_group_list* ag_list = NULL; struct mol_atom_group* ag_json = NULL; @@ -80,31 +80,31 @@ static struct mol_atom_group_list *_read_ag_list( if (ag_json != NULL) { DEBUG_MSG("Reading coordinates from %s and geometry from %s", pdb, json); - struct mol_atom_group_list *fin_aglist = mol_atom_group_list_create(ag_list->size); + struct mol_atom_group_list *final_aglist = mol_atom_group_list_create(ag_list->size); - for (size_t i = 0; i < fin_aglist->size; i++) { + for (size_t i = 0; i < final_aglist->size; i++) { struct mol_atom_group* tmp_copy = mol_atom_group_copy(ag_json); - fin_aglist->members[i] = *tmp_copy; + final_aglist->members[i] = *tmp_copy; free(tmp_copy); - if (fin_aglist->members[i].natoms != ag_list->members[i].natoms) { - DEBUG_MSG("Model %i in %s and %s have different atom numbers (%i, %i)", - (int) i, pdb, json, - (int) ag_list->members[i].natoms, - (int) fin_aglist->members[i].natoms); - mol_atom_group_list_free(fin_aglist); + if (final_aglist->members[i].natoms != ag_list->members[i].natoms) { + ERR_MSG("Model %zu in %s and %s have different atom numbers (%zu, %zu)", + i, pdb, json, + ag_list->members[i].natoms, + final_aglist->members[i].natoms); + mol_atom_group_list_free(final_aglist); mol_atom_group_list_free(ag_list); mol_atom_group_free(ag_json); return NULL; } - memcpy(fin_aglist->members[i].coords, + memcpy(final_aglist->members[i].coords, ag_list->members[i].coords, sizeof(struct mol_vector3) * ag_list->members[i].natoms); } mol_atom_group_list_free(ag_list); mol_atom_group_free(ag_json); - ag_list = fin_aglist; + ag_list = final_aglist; } else if (psf && prm && rtf) { // If json wasn't provided read geometry from prm rtf psf @@ -152,7 +152,7 @@ static struct mol_atom_group_list* _merge_ag_lists( return NULL; } - DEBUG_MSG("Using models assembled from receptor and ligand models provided separately\n"); + DEBUG_MSG("Using models assembled from receptor and ligand models provided separately"); struct mol_atom_group_list *ag_list = mol_atom_group_list_create(ag1->size); for (size_t i = 0; i < ag_list->size; i++) { @@ -804,6 +804,7 @@ bool energy_prms_populate_from_options( } if (opts.fixed_pdb) { + DEBUG_MSG("Reading %s", opts.fixed_pdb); all_stage_prms->fixed = _fixed_setup_read_txt(opts.fixed_pdb); if (!all_stage_prms->fixed) { ERR_MSG("Couldn't parse fixed atoms from %s", opts.fixed_pdb); @@ -811,6 +812,7 @@ bool energy_prms_populate_from_options( return false; } } else if (opts.fix_receptor) { + DEBUG_MSG("Fixing receptor atoms"); if (all_stage_prms->fixed) { ERR_MSG("Cannot use fix-receptor flag with another one"); energy_prms_free(&all_stage_prms, nstages); @@ -818,6 +820,7 @@ bool energy_prms_populate_from_options( } all_stage_prms->fixed = _fixed_setup_atom_range(0, opts.rec_natoms); } else if (opts.fix_ligand) { + DEBUG_MSG("Fixing ligand atoms"); if (all_stage_prms->fixed) { ERR_MSG("Cannot use fix-ligand flag with another one"); energy_prms_free(&all_stage_prms, nstages); @@ -827,6 +830,7 @@ bool energy_prms_populate_from_options( } if (opts.pair_springs_txt) { + DEBUG_MSG("Parsing %s", opts.pair_springs_txt); all_stage_prms->sprst_pairs = _pairsprings_setup_read_txt(opts.pair_springs_txt); if (!all_stage_prms->sprst_pairs) { @@ -837,6 +841,7 @@ bool energy_prms_populate_from_options( } if (opts.point_springs_txt) { + DEBUG_MSG("Parsing %s", opts.point_springs_txt); all_stage_prms->sprst_points = _pointsprings_setup_read_txt(opts.point_springs_txt); if (!all_stage_prms->sprst_points) { @@ -847,6 +852,7 @@ bool energy_prms_populate_from_options( } if (opts.noe_json) { + DEBUG_MSG("Parsing %s", opts.noe_json); all_stage_prms->nmr = _noe_setup_read_json_file(opts.noe_json); if (!all_stage_prms->nmr) { @@ -873,6 +879,7 @@ bool energy_prms_populate_from_options( } if (opts.density_json) { + DEBUG_MSG("Parsing %s", opts.density_json); all_stage_prms->density = _density_setup_read_json_file(opts.density_json); if (!all_stage_prms->density) { @@ -887,6 +894,7 @@ bool energy_prms_populate_from_options( json_t *setup_root = NULL; if (opts.setup_json) { + DEBUG_MSG("Parsing %s", opts.setup_json); setup_root = read_json_file(opts.setup_json); if (!setup_root) { energy_prms_free(&all_stage_prms, nstages); @@ -904,6 +912,7 @@ bool energy_prms_populate_from_options( if (setup) { nstages = json_array_size(setup); + DEBUG_MSG("Found %zu stages", nstages); // copy default params to each stage struct energy_prms* buffer = calloc(nstages, sizeof(struct energy_prms)); @@ -920,12 +929,14 @@ bool energy_prms_populate_from_options( bool error = false; json_array_foreach(setup, stage_id, stage_desc) { + DEBUG_MSG("Parsing stage %zu", stage_id); struct energy_prms* stage_prms = &all_stage_prms[stage_id]; bool stage_fix_rec = false; bool stage_fix_lig = false; json_error_t j_error; + DEBUG_MSG("Unpacking options"); int code = json_unpack_ex( stage_desc, &j_error, 0, "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", @@ -948,7 +959,7 @@ bool energy_prms_populate_from_options( } if ((stage_fix_rec || stage_fix_lig) && !opts.separate) { - ERR_MSG("You can't provide fix-? flags in a single file mode"); + ERR_MSG("You can't provide fix-* flags in a single file mode"); error = true; break; } @@ -962,6 +973,7 @@ bool energy_prms_populate_from_options( // Read fixed atoms if (stage_fixed) { + DEBUG_MSG("Creating fixed atoms for stage"); _fixed_setup_free(&stage_prms->fixed); stage_prms->fixed = _fixed_setup_read_json(stage_fixed); if (!stage_prms->fixed) { @@ -980,6 +992,7 @@ bool energy_prms_populate_from_options( // Pairsprings json_t* stage_pairsprings = json_object_get(stage_desc, "pairsprings"); if (stage_pairsprings) { + DEBUG_MSG("Creating pairsprings for stage"); stage_prms->sprst_pairs = _pairsprings_setup_read_json(stage_pairsprings); if (!stage_prms->sprst_pairs) { ERR_MSG("Couldn't parse pairsprings from %s", opts.setup_json); @@ -991,6 +1004,7 @@ bool energy_prms_populate_from_options( // Pointsprings json_t* stage_pointsprings = json_object_get(stage_desc, "pointsprings"); if (stage_pointsprings) { + DEBUG_MSG("Creating pointsprings for stage"); stage_prms->sprst_points = _pointsprings_setup_read_json(stage_pointsprings); if (!stage_prms->sprst_points) { ERR_MSG("Couldn't parse poinsprings from %s", opts.setup_json); @@ -1002,6 +1016,7 @@ bool energy_prms_populate_from_options( // Density json_t* stage_density = json_object_get(stage_desc, "density"); if (stage_density) { + DEBUG_MSG("Creating density for stage"); stage_prms->density = _density_setup_read_json(stage_density); if (!stage_prms->density) { ERR_MSG("Couldn't parse density from %s", opts.setup_json); @@ -1013,6 +1028,7 @@ bool energy_prms_populate_from_options( // NOE json_t* stage_noe = json_object_get(stage_desc, "noe"); if (stage_noe) { + DEBUG_MSG("Creating NOE for stage"); stage_prms->nmr = _noe_setup_read_json(stage_noe); if (!stage_prms->nmr) { ERR_MSG("Couldn't parse NOE from %s", opts.setup_json); diff --git a/src/utils.h b/src/utils.h index 5e038a4..38a8c35 100644 --- a/src/utils.h +++ b/src/utils.h @@ -20,12 +20,14 @@ extern enum VERBOSITY_LEVELS VERBOSITY; #define JSON_ERR_MSG(json_error, fmt, ...) do { \ if (VERBOSITY > QUIET) { \ fprintf(stderr, \ + "\033[1;31m" \ "[Json parse error] (%s:%i, %s):\n\n" \ " " fmt "\n\n" \ " Source: %s\n" \ " Message: %s\n" \ " Line: %i\n" \ - " Column: %i\n\n", \ + " Column: %i\n\n" \ + "\033[0m", \ __FILE__, __LINE__, __func__, \ ##__VA_ARGS__, \ json_error.source, \ @@ -38,8 +40,10 @@ extern enum VERBOSITY_LEVELS VERBOSITY; #define ERR_MSG(fmt, ...) do { \ if (VERBOSITY > QUIET) { \ fprintf(stderr, \ + "\033[1;31m" \ "[Error] (%s:%i, %s):\n\n" \ - " " fmt "\n\n", \ + " " fmt "\n\n" \ + "\033[0m", \ __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ } \ } while(0) @@ -47,21 +51,29 @@ extern enum VERBOSITY_LEVELS VERBOSITY; #define WRN_MSG(fmt, ...) do { \ if (VERBOSITY > ERROR) { \ fprintf(stderr, \ + "\033[1;33m" \ "[Warning] (%s:%i, %s):\n\n" \ - " " fmt "\n\n", \ + " " fmt "\n\n" \ + "\033[0m", \ __FILE__, __LINE__, __func__, ##__VA_ARGS__); \ } \ } while(0) #define INFO_MSG(fmt, ...) do { \ if (VERBOSITY > WARNING) { \ - fprintf(stderr, "[Info]: " fmt "\n", ##__VA_ARGS__); \ + fprintf(stdout, \ + "\033[0;36m" \ + "[Info]: " fmt "\n" \ + "\033[0m", ##__VA_ARGS__); \ } \ } while(0) #define DEBUG_MSG(fmt, ...) do { \ if (VERBOSITY > INFO) { \ - fprintf(stderr,"[Debug]: " fmt "\n", ##__VA_ARGS__); \ + fprintf(stdout, \ + "\033[0;35m" \ + "[Debug]: " fmt "\n" \ + "\033[0m", ##__VA_ARGS__); \ } \ } while(0) From eef35e241013b033571288283b6248be2d435f56 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Tue, 12 May 2020 02:29:14 -0400 Subject: [PATCH 19/31] Added OpenMP binary --- CMakeLists.txt | 31 ++++++- README.md | 13 ++- src/minimize.c | 208 +++++++++++++++++++++++++++----------------- src/parse_options.c | 17 +++- src/parse_options.h | 1 + src/setup.c | 8 ++ src/usage.txt | 1 + 7 files changed, 191 insertions(+), 88 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 7f5ead1..12afd82 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -12,9 +12,10 @@ set(CMAKE_CXX_STANDARD 11) set(CMAKE_CXX_STANDARD_REQUIRED ON) set(CMAKE_CXX_EXTENSIONS OFF) -option(LTO "Link Time Optimization" ON) -option(BUILD_TESTS "Build tests" ON) -option(USE_SANITIZER "Build with address sanitizer" OFF) +option(LTO "Link Time Optimization" ON) +option(BUILD_TESTS "Build tests" ON) +option(USE_SANITIZER "Build with address sanitizer" OFF) +option(OPENMP "Add OPENMP executable" OFF) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") @@ -65,6 +66,30 @@ target_include_directories(nrgmin target_link_libraries(nrgmin ${LIBRARY_LIST}) +if (OPENMP) + find_package(OpenMP REQUIRED) + + add_executable(nrgmin.omp ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) + + if (LTO) + include(CheckIPOSupported) + check_ipo_supported(RESULT result) + if(result) + set_target_properties(nrgmin.omp PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) + endif() + endif() + + target_include_directories(nrgmin.omp + PUBLIC + "$" + "$" + PRIVATE ${INCLUDE_LIST}) + + target_link_libraries(nrgmin.omp ${LIBRARY_LIST} OpenMP::OpenMP_C) + + target_compile_definitions(nrgmin.omp PUBLIC OPENMP) +endif() + if (BUILD_TESTS) find_package(Check REQUIRED) enable_testing() diff --git a/README.md b/README.md index 27df59d..13c88b6 100644 --- a/README.md +++ b/README.md @@ -13,6 +13,9 @@ Utility for molecular mechanics energy minimization 3. The binary is in `build/nrgmin` +4. If you want to build with OpenMP, add `-DOPENMP=ON` to `cmake` command, it will create additional executable + `build/nrgmin.omp`. `--num-threads` controls the number of OpenMP threads. + ## How to run Full list of parameters can be viewed by running `./nrgmin -h` @@ -43,7 +46,12 @@ If you want to use parameters from json file and coordinates from pdb ./nrgmin ---rec-pdb rec.pdb --rec-json rec.json --lig-pdb lig.pdb --lig-json lig.json ``` -Note: PDB file can contain multiple models (the number of models must match in rec/lig mode) +PDB file can contain multiple models (the number of models must match in rec/lig mode). `nrgmin.omp` parallelizes +minimization for multiple models using the flag `--num-threads` + +``` +./nrgmin.omp --json mol.json --pdb mol_10models.pdb --num-threads 10 +``` ### Energy function @@ -219,7 +227,8 @@ Global setup in json format different minimization terms Miscellaneous - + + --num-threads Number of OpenMP threads to use. 0 (default) means using maximum number of threads --score-only Score only without doing minimization --help Show this message and exit diff --git a/src/minimize.c b/src/minimize.c index c768351..c8f8e00 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -11,6 +11,10 @@ #include "parse_options.h" #include "energy.h" +#ifdef OPENMP +#include +#endif + #define __TOL__ 5E-4 @@ -40,123 +44,165 @@ int main(int argc, char **argv) { exit(EXIT_FAILURE); } - struct energy_prms* min_prms; - size_t nstages; - if (!energy_prms_populate_from_options(&min_prms, &nstages, opts)) { - ERR_MSG("Couldn't populate energy parameters"); - options_free(opts); - mol_atom_group_list_free(ag_list); - exit(EXIT_FAILURE); + // Create separate json array for each model + json_t** json_log_total = calloc(ag_list->size, sizeof(json_t *)); + for (size_t i = 0; i < ag_list->size; i++) { + json_log_total[i] = json_array(); } - FILE* out_pdb; - FOPEN_ELSE(out_pdb, opts.out_pdb, "w") { - options_free(opts); - mol_atom_group_list_free(ag_list); - energy_prms_free(&min_prms, nstages); - exit(EXIT_FAILURE); +#ifdef OPENMP + if (opts.num_threads > 0) { + omp_set_num_threads(opts.num_threads); } - json_t* json_log_total = json_array(); - - for (size_t modeli = 0; modeli < ag_list->size; modeli++) { - INFO_MSG("Started model %zu", modeli); + #pragma omp parallel shared(ag_list, json_log_total, opts) + { + int num_threads = omp_get_num_threads(); + int thread_id = omp_get_thread_num(); - if (ag_list->size > 1) { - fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); + if (thread_id == 0) { + DEBUG_MSG("Using %i threads", num_threads); + } +#else + int thread_id = 0; +#endif + + // Create local copy of energy prms for each thread + struct energy_prms* min_prms; + size_t nstages; + if (!energy_prms_populate_from_options(&min_prms, &nstages, opts)) { + if (thread_id == 0) { + ERR_MSG("Couldn't populate energy parameters"); + options_free(opts); + mol_atom_group_list_free(ag_list); + } + exit(EXIT_FAILURE); } - json_t* json_log_model = json_array(); +#ifdef OPENMP + // Wait till all threads successfully create min_prms + #pragma omp barrier - struct mol_atom_group *ag = &ag_list->members[modeli]; + #pragma omp for +#endif + for (size_t modeli = 0; modeli < ag_list->size; modeli++) { + INFO_MSG("Started model %zu", modeli); - // Setup fixed atoms and nblists - struct agsetup ag_setup; - mol_fixed_init(ag); - init_nblst(ag, &ag_setup); + json_t *json_log_model = json_log_total[modeli]; - // Run stages of minimization - for (size_t stage_id = 0; stage_id < nstages; stage_id++) { - INFO_MSG("Stage %zu", stage_id); - json_t* json_log_stage = json_object(); + struct mol_atom_group *ag = &ag_list->members[modeli]; - struct energy_prms *stage_prms = &min_prms[stage_id]; - stage_prms->ag = ag; + // Setup fixed atoms and nblists + struct agsetup ag_setup; + mol_fixed_init(ag); + init_nblst(ag, &ag_setup); - if (stage_prms->fixed) { - mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); - } else { - mol_fixed_update(ag, 0, NULL); - } + // Run stages of minimization + for (size_t stage_id = 0; stage_id < nstages; stage_id++) { + json_t *json_log_stage = json_object(); - update_nblst(ag, &ag_setup); - - // Set up GBSA - if (stage_prms->gbsa) { - struct acesetup ace_setup; - ace_setup.efac = 0.5; - ace_ini(ag, &ace_setup); - ace_fixedupdate(ag, &ag_setup, &ace_setup); - ace_updatenblst(&ag_setup, &ace_setup); - stage_prms->ace_setup = &ace_setup; - } else { - stage_prms->ace_setup = NULL; - } + struct energy_prms *stage_prms = calloc(1, sizeof(struct energy_prms)); + *stage_prms = min_prms[stage_id]; + stage_prms->ag = ag; - stage_prms->ag_setup = &ag_setup; + if (stage_prms->fixed) { + mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); + } else { + mol_fixed_update(ag, 0, NULL); + } - // Minimize energy - if (!stage_prms->score_only) { - stage_prms->json_log = json_array(); - mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); + update_nblst(ag, &ag_setup); - // Record energy every time it was evaluated - if (stage_prms->json_log_setup.print_step) { - json_object_set_new(json_log_stage, "steps", stage_prms->json_log); + // Set up GBSA + if (stage_prms->gbsa) { + struct acesetup ace_setup; + ace_setup.efac = 0.5; + ace_ini(ag, &ace_setup); + ace_fixedupdate(ag, &ag_setup, &ace_setup); + ace_updatenblst(&ag_setup, &ace_setup); + stage_prms->ace_setup = &ace_setup; } else { - json_decref(stage_prms->json_log); + stage_prms->ace_setup = NULL; } - stage_prms->json_log = NULL; - } - // Record final energy - if (stage_prms->json_log_setup.print_stage) { - stage_prms->json_log = json_array(); - energy_func((void *) stage_prms, NULL, NULL, 0, 0); - json_t *final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); - json_object_set_new(json_log_stage, "final", final_energy); - json_decref(stage_prms->json_log); - stage_prms->json_log = NULL; - } + stage_prms->ag_setup = &ag_setup; + + // Minimize energy + if (!stage_prms->score_only) { + stage_prms->json_log = json_array(); + mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); - json_array_append_new(json_log_model, json_log_stage); + // Record energy every time it was evaluated + if (stage_prms->json_log_setup.print_step) { + json_object_set_new(json_log_stage, "steps", stage_prms->json_log); + } else { + json_decref(stage_prms->json_log); + } + stage_prms->json_log = NULL; + } + + // Record final energy + if (stage_prms->json_log_setup.print_stage) { + stage_prms->json_log = json_array(); + energy_func((void *) stage_prms, NULL, NULL, 0, 0); + json_t *final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); + json_object_set_new(json_log_stage, "final", final_energy); + json_decref(stage_prms->json_log); + stage_prms->json_log = NULL; + } + + json_array_append_new(json_log_model, json_log_stage); - if (stage_prms->ace_setup) { - destroy_acesetup(stage_prms->ace_setup); + if (stage_prms->ace_setup) { + destroy_acesetup(stage_prms->ace_setup); + } + free(stage_prms); } + + destroy_agsetup(&ag_setup); + INFO_MSG("Finished model %zu", modeli); } - mol_fwrite_pdb(out_pdb, ag); - json_array_append_new(json_log_total, json_log_model); + energy_prms_free(&min_prms, nstages); + +#ifdef OPENMP + } +#endif + + // Write minimized models + FILE* out_pdb; + FOPEN_ELSE(out_pdb, opts.out_pdb, "w") { + options_free(opts); + mol_atom_group_list_free(ag_list); + exit(EXIT_FAILURE); + } + DEBUG_MSG("Writing minimized models to %s", opts.out_pdb); + for (size_t modeli = 0; modeli < ag_list->size; modeli++) { + if (ag_list->size > 1) { + fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); + } + mol_fwrite_pdb(out_pdb, &ag_list->members[modeli]); if (ag_list->size > 1) { fprintf(out_pdb, "ENDMDL\n"); } - - destroy_agsetup(&ag_setup); - - INFO_MSG("Finished model %zu", modeli); } - if (json_dump_file(json_log_total, opts.out_json, JSON_INDENT(4)) != 0) { + DEBUG_MSG("Merging energy logs for all models"); + json_t* json_log_merged = json_array(); + for (size_t i = 0; i < ag_list->size; i++) { + json_array_append_new(json_log_merged, json_log_total[i]); + } + DEBUG_MSG("Writing energies to %s", opts.out_json); + if (json_dump_file(json_log_merged, opts.out_json, JSON_INDENT(4)) != 0) { ERR_MSG("Couldn't write to file %s", opts.out_json); return EXIT_FAILURE; } - json_decref(json_log_total); + json_decref(json_log_merged); + free(json_log_total); // Free everything mol_atom_group_list_free(ag_list); - energy_prms_free(&min_prms, nstages); options_free(opts); INFO_MSG("Completed"); diff --git a/src/parse_options.c b/src/parse_options.c index e06c9f1..350fb5b 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -85,7 +85,9 @@ struct options options_get_default() .fix_receptor = 0, .fix_ligand = 0, .score_only = 0, - .help = 0 + .help = 0, + + .num_threads = 0 }; return prms; @@ -121,7 +123,7 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) int code = json_unpack_ex( dict, &error, JSON_STRICT, - "{s?i, s?i, " + "{s?i, s?i, s?i " " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, " " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, " " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s}", @@ -129,6 +131,7 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) // integer options "nsteps", &opts->nsteps, "verbosity", &opts->verbosity, + "num_threads", &opts->num_threads, // binary options "bonds", &opts->bonds, @@ -204,6 +207,11 @@ static int _check_prms(struct options *opts) VERBOSITY = opts->verbosity >= 0 ? opts->verbosity : 0; } + if (opts->num_threads < 0) { + ERR_MSG("Number of threads can't be negative"); + return 1; + } + if (opts->json || opts->pdb || opts->psf || opts->prm || opts->rtf) { full = true; opts->separate = false; @@ -269,6 +277,7 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo {"out-pdb", required_argument, 0, 0}, {"out-json", required_argument, 0, 0}, {"verbosity", required_argument, 0, 0}, + {"num-threads", required_argument, 0, 0}, {"print-step", no_argument, &prms.print_step, 1}, {"print-stage", no_argument, &prms.print_stage, 1}, @@ -390,6 +399,9 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo if (strcmp("verbosity", long_options[option_index].name) == 0) { prms.verbosity = atoi(optarg); } + if (strcmp("num-threads", long_options[option_index].name) == 0) { + prms.num_threads = atoi(optarg); + } } if (_check_prms(&prms) != 0) { @@ -493,6 +505,7 @@ void usage_message(char *const *argv) { "\n" " Miscellaneous\n" "\n" + " --num-threads Number of OpenMP threads to use. 0 (default) means using maximum number of threads\n" " --score-only Score only without doing minimization\n" " --help Show this message and exit\n\n"); } diff --git a/src/parse_options.h b/src/parse_options.h index 53c997e..f12849c 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -83,6 +83,7 @@ struct options { int verbosity; ///< Levels 0 - QUIET, 1 - ERROR, 2 - WARNING, 3- INFO, 4 - DEBUG + int num_threads; int help; ///< Print help and exit }; diff --git a/src/setup.c b/src/setup.c index 2b465ca..ac1997f 100644 --- a/src/setup.c +++ b/src/setup.c @@ -84,6 +84,14 @@ static struct mol_atom_group_list *_read_ag_list( for (size_t i = 0; i < final_aglist->size; i++) { struct mol_atom_group* tmp_copy = mol_atom_group_copy(ag_json); + + // TODO: These are initialized from the beginning for some reason. Create issue in libmol + //free_if_not_null(tmp_copy->active_atoms); + //free_if_not_null(tmp_copy->active_bonds); + //free_if_not_null(tmp_copy->active_angles); + //free_if_not_null(tmp_copy->active_dihedrals); + //free_if_not_null(tmp_copy->active_impropers); + final_aglist->members[i] = *tmp_copy; free(tmp_copy); diff --git a/src/usage.txt b/src/usage.txt index b31a6e3..f0ee286 100644 --- a/src/usage.txt +++ b/src/usage.txt @@ -87,5 +87,6 @@ Examples of different minimization setups can be found in examples/energy_setup. Miscellaneous + --num-threads Number of OpenMP threads to use. 0 (default) means using maximum number of threads --score-only Score only without doing minimization --help Show this message and exit From f8b04d477b2a4761304e51d21aed062678138f36 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Tue, 12 May 2020 13:44:18 -0400 Subject: [PATCH 20/31] Cmake version minimum 3.9 --- CMakeLists.txt | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 12afd82..8c6d6d6 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,10 +1,10 @@ -cmake_minimum_required(VERSION 3.1...3.15) +cmake_minimum_required(VERSION 3.9) if(${CMAKE_VERSION} VERSION_LESS 3.12) cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}) endif() -project(EnergyMin VERSION 1.0 +project(NRGmin VERSION 1.0 DESCRIPTION "Energy minimization utility" LANGUAGES C) From 0826fed441b309e754409c1bbd364d4e861148fd Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Wed, 20 May 2020 18:01:08 -0400 Subject: [PATCH 21/31] Added -std=c11 to fix "restrict" qualifier error on some systems --- CMakeLists.txt | 31 +++++++++++++++++++------------ 1 file changed, 19 insertions(+), 12 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 8c6d6d6..19ed2a3 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -4,6 +4,10 @@ if(${CMAKE_VERSION} VERSION_LESS 3.12) cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}) endif() +if(CMAKE_VERSION VERSION_GREATER 3.9) + cmake_policy(SET CMP0069 NEW) +endif() + project(NRGmin VERSION 1.0 DESCRIPTION "Energy minimization utility" LANGUAGES C) @@ -12,15 +16,18 @@ set(CMAKE_CXX_STANDARD 11) set(CMAKE_CXX_STANDARD_REQUIRED ON) set(CMAKE_CXX_EXTENSIONS OFF) -option(LTO "Link Time Optimization" ON) option(BUILD_TESTS "Build tests" ON) +option(USE_LTO "Link Time Optimization" ON) option(USE_SANITIZER "Build with address sanitizer" OFF) option(OPENMP "Add OPENMP executable" OFF) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") -if(CMAKE_BUILD_TYPE STREQUAL "Debug") - add_compile_options(-pg -Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) +if (UNIX) + add_compile_options(-std=c11) + if(CMAKE_BUILD_TYPE STREQUAL "Debug") + add_compile_options(-pg -Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) + endif() endif() if(USE_SANITIZER) @@ -50,14 +57,18 @@ set(SRC_LIST add_executable(nrgmin ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) -if (LTO) +if (USE_LTO) include(CheckIPOSupported) check_ipo_supported(RESULT result) - if(result) - set_target_properties(nrgmin PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) + if(NOT result) + set(USE_LTO OFF) endif() endif() +if (USE_LTO) + set_target_properties(nrgmin PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) +endif() + target_include_directories(nrgmin PUBLIC "$" @@ -71,12 +82,8 @@ if (OPENMP) add_executable(nrgmin.omp ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) - if (LTO) - include(CheckIPOSupported) - check_ipo_supported(RESULT result) - if(result) - set_target_properties(nrgmin.omp PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) - endif() + if (USE_LTO) + set_target_properties(nrgmin.omp PROPERTIES INTERPROCEDURAL_OPTIMIZATION TRUE) endif() target_include_directories(nrgmin.omp From bde37cbeda785b55ea308cba4d7e9cf7dbe5b2ea Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Fri, 22 May 2020 16:56:59 -0400 Subject: [PATCH 22/31] Fixed broken gb-ace setup --- src/minimize.c | 26 ++++++++++++++++---------- 1 file changed, 16 insertions(+), 10 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index c8f8e00..579f1f7 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -93,9 +93,11 @@ int main(int argc, char **argv) { struct mol_atom_group *ag = &ag_list->members[modeli]; // Setup fixed atoms and nblists - struct agsetup ag_setup; mol_fixed_init(ag); + + struct agsetup ag_setup; init_nblst(ag, &ag_setup); + update_nblst(ag, &ag_setup); // Run stages of minimization for (size_t stage_id = 0; stage_id < nstages; stage_id++) { @@ -105,17 +107,9 @@ int main(int argc, char **argv) { *stage_prms = min_prms[stage_id]; stage_prms->ag = ag; - if (stage_prms->fixed) { - mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); - } else { - mol_fixed_update(ag, 0, NULL); - } - - update_nblst(ag, &ag_setup); - // Set up GBSA + struct acesetup ace_setup; if (stage_prms->gbsa) { - struct acesetup ace_setup; ace_setup.efac = 0.5; ace_ini(ag, &ace_setup); ace_fixedupdate(ag, &ag_setup, &ace_setup); @@ -125,6 +119,18 @@ int main(int argc, char **argv) { stage_prms->ace_setup = NULL; } + if (stage_prms->fixed) { + mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); + } else { + mol_fixed_update(ag, 0, NULL); + } + + update_nblst(ag, &ag_setup); + if (stage_prms->gbsa) { + ace_fixedupdate(ag, &ag_setup, stage_prms->ace_setup); + ace_updatenblst(&ag_setup, stage_prms->ace_setup); + } + stage_prms->ag_setup = &ag_setup; // Minimize energy From 5379925f1c0d89433c0b8cd38b4aa7a420976045 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Thu, 28 May 2020 15:55:38 -0400 Subject: [PATCH 23/31] Fixed --fixed-pdb parsing bug --- src/setup.c | 4 ++-- test/test_all.c | 15 ++++++++++++++- 2 files changed, 16 insertions(+), 3 deletions(-) diff --git a/src/setup.c b/src/setup.c index ac1997f..b9e4556 100644 --- a/src/setup.c +++ b/src/setup.c @@ -276,8 +276,8 @@ static struct fixed_setup* _fixed_setup_read_txt(const char *path) { fclose(fp); struct fixed_setup* result = calloc(1, sizeof(struct fixed_setup)); - result->atoms = calloc(nfix, sizeof(size_t)); - result->natoms = nfix; + result->atoms = fix; + result->natoms = na; return result; } diff --git a/test/test_all.c b/test/test_all.c index 717b74d..90233d1 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -467,6 +467,19 @@ START_TEST(test_energy_prm_from_flags) ck_assert_int_eq(prms[0].density->ag->natoms, 42); energy_prms_free(&prms, nstages); break; + + case 10: + // Pass fixed pdb + opts = options_get_default(); + opts.fixed_pdb = "BACE_4_lig_far.pdb"; + + ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); + ck_assert_ptr_nonnull(prms); + ck_assert_int_eq(prms[0].fixed->natoms, 42); + _compare_arrays_size_t(prms[0].fixed->atoms, (size_t[]){3598, 3599, 3600, 3601, 3602, 3603}, 6); + + energy_prms_free(&prms, nstages); + break; } } @@ -651,7 +664,7 @@ Suite *lists_suite(void) tcase_add_loop_test(tcase_real, test_check_getopt_success, 0, 8); tcase_add_loop_test(tcase_real, test_check_getopt_failure, 0, 8); tcase_add_loop_test(tcase_real, test_mol_atom_group_list_from_options, 0, 7); - tcase_add_loop_test(tcase_real, test_energy_prm_from_flags, 0, 10); + tcase_add_loop_test(tcase_real, test_energy_prm_from_flags, 0, 11); tcase_add_loop_test(tcase_real, test_energy_prm_from_json, 0, 12); suite_add_tcase(suite, tcase_real); From 36c187867b52ba2e23febfd918e690632653c903 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Fri, 29 May 2020 00:16:30 -0400 Subject: [PATCH 24/31] Added electrostatic and rearranged the fix / update lines --- src/energy.c | 21 +++++++++++++++++++++ src/minimize.c | 21 ++++++++------------- src/parse_options.c | 12 +++++++++++- src/parse_options.h | 2 ++ src/setup.c | 6 +++++- src/setup.h | 2 ++ 6 files changed, 49 insertions(+), 15 deletions(-) diff --git a/src/energy.c b/src/energy.c index b066665..b072229 100644 --- a/src/energy.c +++ b/src/energy.c @@ -41,6 +41,27 @@ lbfgsfloatval_t energy_func( total_energy += term_energy; } + double ele_eps = 1.0; + if (energy_prm->eleng) { + term_energy = 0.0; + eleng(energy_prm->ag, ele_eps, &term_energy, energy_prm->ag_setup->nblst); + json_object_set_new(energy_dict, "eleng", json_real(term_energy)); + total_energy += term_energy; + } + + if (energy_prm->elengs03) { + term_energy = 0.0; + elengs03(1.0, + energy_prm->ag_setup->nblst->nbcof, + energy_prm->ag, + ele_eps, + &term_energy, + energy_prm->ag_setup->nf03, + energy_prm->ag_setup->listf03); + json_object_set_new(energy_dict, "elengs03", json_real(term_energy)); + total_energy += term_energy; + } + if (energy_prm->vdw) { term_energy = 0.0; vdweng(energy_prm->ag, &term_energy, energy_prm->ag_setup->nblst); diff --git a/src/minimize.c b/src/minimize.c index 579f1f7..9dc45bb 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -97,7 +97,6 @@ int main(int argc, char **argv) { struct agsetup ag_setup; init_nblst(ag, &ag_setup); - update_nblst(ag, &ag_setup); // Run stages of minimization for (size_t stage_id = 0; stage_id < nstages; stage_id++) { @@ -107,6 +106,14 @@ int main(int argc, char **argv) { *stage_prms = min_prms[stage_id]; stage_prms->ag = ag; + if (stage_prms->fixed) { + mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); + } else { + mol_fixed_update(ag, 0, NULL); + } + + update_nblst(ag, &ag_setup); + // Set up GBSA struct acesetup ace_setup; if (stage_prms->gbsa) { @@ -119,18 +126,6 @@ int main(int argc, char **argv) { stage_prms->ace_setup = NULL; } - if (stage_prms->fixed) { - mol_fixed_update(ag, stage_prms->fixed->natoms, stage_prms->fixed->atoms); - } else { - mol_fixed_update(ag, 0, NULL); - } - - update_nblst(ag, &ag_setup); - if (stage_prms->gbsa) { - ace_fixedupdate(ag, &ag_setup, stage_prms->ace_setup); - ace_updatenblst(&ag_setup, stage_prms->ace_setup); - } - stage_prms->ag_setup = &ag_setup; // Minimize energy diff --git a/src/parse_options.c b/src/parse_options.c index 350fb5b..9b105ea 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -79,6 +79,8 @@ struct options options_get_default() .impropers = 1, .vdw = 1, .vdw03 = 1, + .eleng = 1, + .elengs03 = 1, .gbsa = 0, .verbosity = DEBUG, @@ -124,7 +126,7 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) dict, &error, JSON_STRICT, "{s?i, s?i, s?i " - " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, " + " s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, " " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, " " s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s, s?s}", @@ -140,6 +142,8 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) "impropers", &opts->impropers, "vdw", &opts->vdw, "vdw03", &opts->vdw03, + "eleng", &opts->eleng, + "elengs03", &opts->elengs03, "gbsa", &opts->gbsa, "fix_receptor", &opts->fix_receptor, "fix_ligand", &opts->fix_ligand, @@ -327,6 +331,10 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo {"vdw-off", no_argument, &prms.vdw, 0}, {"vdw03-on", no_argument, &prms.vdw03, 1}, {"vdw03-off", no_argument, &prms.vdw03, 0}, + {"eleng-on", no_argument, &prms.eleng, 1}, + {"eleng-off", no_argument, &prms.eleng, 0}, + {"elengs03-on", no_argument, &prms.elengs03, 1}, + {"elengs03-off", no_argument, &prms.elengs03, 0}, {"gbsa-on", no_argument, &prms.gbsa, 1}, {"gbsa-off", no_argument, &prms.gbsa, 0}, @@ -475,6 +483,8 @@ void usage_message(char *const *argv) { " --impropers-on/--impropers-on Impropers\n" " --vdw-on/--vdw-off VDW\n" " --vdw03-on/--vdw03-off 1-4 VDW\n" + " --eleng-on/--eleng-off Coulomb electrostatics\n" + " --elengs03-on/--elengs03-off 1-4 Coulomb electrostatics\n" " --gbsa-on/gbsa-off GBSA\n" "\n" " Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms)\n" diff --git a/src/parse_options.h b/src/parse_options.h index f12849c..ca2a743 100644 --- a/src/parse_options.h +++ b/src/parse_options.h @@ -75,6 +75,8 @@ struct options { int impropers; int vdw; int vdw03; + int eleng; + int elengs03; int gbsa; int fix_receptor; ///< Works only rec/lig mode diff --git a/src/setup.c b/src/setup.c index b9e4556..46a4103 100644 --- a/src/setup.c +++ b/src/setup.c @@ -790,6 +790,8 @@ bool energy_prms_populate_from_options( all_stage_prms->impropers = opts.impropers; all_stage_prms->vdw = opts.vdw; all_stage_prms->vdw03 = opts.vdw03; + all_stage_prms->eleng = opts.eleng; + all_stage_prms->elengs03 = opts.elengs03; all_stage_prms->gbsa = opts.gbsa; all_stage_prms->score_only = opts.score_only; @@ -947,13 +949,15 @@ bool energy_prms_populate_from_options( DEBUG_MSG("Unpacking options"); int code = json_unpack_ex( stage_desc, &j_error, 0, - "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", + "{s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s?b, s:i}", "bonds", &stage_prms->bonds, "angles", &stage_prms->angles, "dihedrals", &stage_prms->dihedrals, "impropers", &stage_prms->impropers, "vdw", &stage_prms->vdw, "vdw03", &stage_prms->vdw03, + "eleng", &stage_prms->eleng, + "elengs03", &stage_prms->elengs03, "gbsa", &stage_prms->gbsa, "fix_receptor", &stage_fix_rec, "fix_ligand", &stage_fix_lig, diff --git a/src/setup.h b/src/setup.h index 60cfa7d..7247c82 100644 --- a/src/setup.h +++ b/src/setup.h @@ -52,6 +52,8 @@ struct energy_prms { bool impropers; bool vdw; bool vdw03; + bool eleng; + bool elengs03; bool gbsa; bool score_only; ///< Don't perform minimizition and only output energy terms From cb6bb83f4e98670973d7e335c8e48ee9e5db2759 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Thu, 4 Jun 2020 02:57:27 -0400 Subject: [PATCH 25/31] Sped up geometry assignment and updated fixed pdb reading --- src/setup.c | 49 ++++++++++++++++++++++++++++++++++++++----------- 1 file changed, 38 insertions(+), 11 deletions(-) diff --git a/src/setup.c b/src/setup.c index 46a4103..f6460d6 100644 --- a/src/setup.c +++ b/src/setup.c @@ -117,12 +117,29 @@ static struct mol_atom_group_list *_read_ag_list( } else if (psf && prm && rtf) { // If json wasn't provided read geometry from prm rtf psf DEBUG_MSG("Reading geometry from %s", psf); + struct mol_atom_group_list* ag_list_copy = mol_atom_group_list_create(ag_list->size); + + // Fill the geometry for the first model + if (!mol_atom_group_read_geometry(&ag_list->members[0], psf, prm, rtf)) { + ERR_MSG("Couldn't fill geometry from psf rtf and prm"); + mol_atom_group_list_free(ag_list); + mol_atom_group_list_free(ag_list_copy); + return NULL; + } + + // Copy the first model into each member of ag_list_copy and fill the coordinates from ag_list + // this is done for speed up, because reading geomerty for each model separately can be very slow for (size_t i = 0; i < ag_list->size; i++) { - if (!mol_atom_group_read_geometry(&ag_list->members[i], psf, prm, rtf)) { - ERR_MSG("Couldn't fill geometry from psf rtf and prm"); - mol_atom_group_list_free(ag_list); - } + struct mol_atom_group* buf = mol_atom_group_copy(&ag_list->members[0]); + ag_list_copy->members[i] = *buf; + memcpy(ag_list_copy->members[i].coords, + ag_list->members[i].coords, + ag_list->members[i].natoms * sizeof(struct mol_vector3)); + free(buf); } + mol_atom_group_list_free(ag_list); + ag_list = ag_list_copy; + DEBUG_MSG("Done reading geometry"); } else if (score_only != 0) { // if they weren't provided, check the score_only flag @@ -258,17 +275,27 @@ static struct fixed_setup* _fixed_setup_read_txt(const char *path) { char *buffer = calloc(linesz, sizeof(char)); while (fgets(buffer, linesz - 1, fp) != NULL) { - if (!strncmp(buffer, "ATOM", 4)) nfix++; + if (!strncmp(buffer, "ATOM", 4)) { + nfix++; + } } rewind(fp); - size_t* fix = calloc(nfix, sizeof(size_t)); - size_t na = 0; + size_t* fixed_atoms = calloc(nfix, sizeof(size_t)); + size_t counter = 0; + size_t atom_id; + char* not_used; while (fgets(buffer, linesz - 1, fp) != NULL) { if (!strncmp(buffer, "ATOM", 4)) { - fix[na] = atoi(buffer + 4) - 1; - na++; + atom_id = strtoul(buffer + 4, ¬_used, 10); + if (atom_id == 0) { + ERR_MSG("Wrong atom serial number encountered in %s, line: %s", path, buffer); + free(buffer); + fclose(fp); + return NULL; + } + fixed_atoms[counter++] = atom_id - 1; } } @@ -276,8 +303,8 @@ static struct fixed_setup* _fixed_setup_read_txt(const char *path) { fclose(fp); struct fixed_setup* result = calloc(1, sizeof(struct fixed_setup)); - result->atoms = fix; - result->natoms = na; + result->atoms = fixed_atoms; + result->natoms = counter; return result; } From e0cdc5d25d36a00ae095604443560961c357ccfc Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Sun, 7 Jun 2020 14:32:18 -0400 Subject: [PATCH 26/31] Dont write models in score-only mode --- src/minimize.c | 30 ++++++++++++++++-------------- 1 file changed, 16 insertions(+), 14 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index 9dc45bb..ea97413 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -171,21 +171,23 @@ int main(int argc, char **argv) { #endif // Write minimized models - FILE* out_pdb; - FOPEN_ELSE(out_pdb, opts.out_pdb, "w") { - options_free(opts); - mol_atom_group_list_free(ag_list); - exit(EXIT_FAILURE); - } - - DEBUG_MSG("Writing minimized models to %s", opts.out_pdb); - for (size_t modeli = 0; modeli < ag_list->size; modeli++) { - if (ag_list->size > 1) { - fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); + if (!opts.score_only) { + FILE *out_pdb; + FOPEN_ELSE(out_pdb, opts.out_pdb, "w") { + options_free(opts); + mol_atom_group_list_free(ag_list); + exit(EXIT_FAILURE); } - mol_fwrite_pdb(out_pdb, &ag_list->members[modeli]); - if (ag_list->size > 1) { - fprintf(out_pdb, "ENDMDL\n"); + + DEBUG_MSG("Writing minimized models to %s", opts.out_pdb); + for (size_t modeli = 0; modeli < ag_list->size; modeli++) { + if (ag_list->size > 1) { + fprintf(out_pdb, "MODEL %zu\n", (modeli + 1)); + } + mol_fwrite_pdb(out_pdb, &ag_list->members[modeli]); + if (ag_list->size > 1) { + fprintf(out_pdb, "ENDMDL\n"); + } } } From 5e9dc24da86ac64d512ffb7fa9c11bf3f202532f Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Sun, 7 Jun 2020 14:32:49 -0400 Subject: [PATCH 27/31] Added SIGFPE handling but needs to be checked for robustness --- src/energy.c | 7 ++-- src/minimize.c | 95 ++++++++++++++++++++++++++++++++++++++++++-------- 2 files changed, 85 insertions(+), 17 deletions(-) diff --git a/src/energy.c b/src/energy.c index b072229..9cbda13 100644 --- a/src/energy.c +++ b/src/energy.c @@ -19,6 +19,9 @@ lbfgsfloatval_t energy_func( struct energy_prms *energy_prm = (struct energy_prms *) prm; json_t* energy_dict = json_object(); + if (energy_prm->json_log) { + json_array_append_new(energy_prm->json_log, energy_dict); + } if (array != NULL) { assert((size_t)array_size == energy_prm->ag->active_atoms->size * 3); @@ -161,9 +164,7 @@ lbfgsfloatval_t energy_func( json_object_set_new(energy_dict, "total", json_real(total_energy)); - if (energy_prm->json_log) { - json_array_append_new(energy_prm->json_log, energy_dict); - } else { + if (!energy_prm->json_log) { json_decref(energy_dict); } diff --git a/src/minimize.c b/src/minimize.c index ea97413..51a8f2e 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -1,6 +1,9 @@ #include #include #include +#include +#include +#include #include "mol2/gbsa.h" #include "mol2/minimize.h" @@ -18,10 +21,31 @@ #define __TOL__ 5E-4 +jmp_buf* FE_RETURN_LOCATIONS; + +/** + * Handler for SIGFPE (floating point exception) + */ +void overflow_handler(__attribute__((unused)) int signal_number) { + if (feclearexcept(FE_ALL_EXCEPT) != 0){ + WRN_MSG("Couldn't clear exceptions"); + } + + int thread_id = 0; + + #ifdef OPENMP + thread_id = omp_get_thread_num(); + #endif + + longjmp(FE_RETURN_LOCATIONS[thread_id], 1); +} + + int main(int argc, char **argv) { VERBOSITY = DEBUG; mol_enable_floating_point_exceptions(); + signal(SIGFPE, overflow_handler); bool opts_error; struct options opts = options_populate_from_argv(argc, argv, &opts_error); @@ -50,12 +74,12 @@ int main(int argc, char **argv) { json_log_total[i] = json_array(); } -#ifdef OPENMP + #ifdef OPENMP if (opts.num_threads > 0) { omp_set_num_threads(opts.num_threads); } - #pragma omp parallel shared(ag_list, json_log_total, opts) + #pragma omp parallel shared(ag_list, json_log_total, opts, FE_RETURN_LOCATIONS) { int num_threads = omp_get_num_threads(); int thread_id = omp_get_thread_num(); @@ -63,9 +87,14 @@ int main(int argc, char **argv) { if (thread_id == 0) { DEBUG_MSG("Using %i threads", num_threads); } -#else + #else + int num_threads = 1; int thread_id = 0; -#endif + #endif + + if (thread_id == 0) { + FE_RETURN_LOCATIONS = calloc(num_threads, sizeof(jmp_buf)); + } // Create local copy of energy prms for each thread struct energy_prms* min_prms; @@ -79,12 +108,11 @@ int main(int argc, char **argv) { exit(EXIT_FAILURE); } -#ifdef OPENMP + #ifdef OPENMP // Wait till all threads successfully create min_prms #pragma omp barrier - #pragma omp for -#endif + #endif for (size_t modeli = 0; modeli < ag_list->size; modeli++) { INFO_MSG("Started model %zu", modeli); @@ -127,25 +155,63 @@ int main(int argc, char **argv) { } stage_prms->ag_setup = &ag_setup; + bool sigfpe_caught = false; // Minimize energy if (!stage_prms->score_only) { stage_prms->json_log = json_array(); - mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); + + if (setjmp(FE_RETURN_LOCATIONS[thread_id]) == 1) { + // If minimization failed with SIGFPE the execution jumps to this location + WRN_MSG("Floating point exception detected for model %zu during minimization", modeli); + sigfpe_caught = true; + if (stage_prms->json_log && (json_array_size(stage_prms->json_log) > 0)) { + // Add "exception" to the last recorded energy set + json_t *last_energy_dict = json_array_get(stage_prms->json_log, json_array_size(stage_prms->json_log) - 1); + json_object_set_new(last_energy_dict, "exception", json_string("Floating point exception during minimization")); + } + } else { + mol_minimize_ag(MOL_LBFGS, stage_prms->nsteps, __TOL__, ag, (void *) stage_prms, energy_func); + } // Record energy every time it was evaluated if (stage_prms->json_log_setup.print_step) { - json_object_set_new(json_log_stage, "steps", stage_prms->json_log); - } else { - json_decref(stage_prms->json_log); + json_object_set(json_log_stage, "steps", stage_prms->json_log); } + json_decref(stage_prms->json_log); stage_prms->json_log = NULL; } // Record final energy if (stage_prms->json_log_setup.print_stage) { stage_prms->json_log = json_array(); - energy_func((void *) stage_prms, NULL, NULL, 0, 0); + + if (sigfpe_caught) { + // if SIGFPE was caught previously during minimization, do not compute the final energy and set "exception" instead + json_t* energy_dict = json_object(); + json_object_set_new( + energy_dict, + "exception", + json_string("Floating point exception during minimization")); + json_array_append_new(stage_prms->json_log, energy_dict); + } else { + if (setjmp(FE_RETURN_LOCATIONS[thread_id]) == 1) { + // If energy evalution failed with SIGFPE, the execution jumps to this location + WRN_MSG("Floating point exception detected for model %zu during final energy evaluation", modeli); + sigfpe_caught = true; + + if (stage_prms->json_log) { + json_t *last_energy_dict = json_array_get(stage_prms->json_log, 0); + json_object_set_new( + last_energy_dict, + "exception", + json_string("Floating point exception during final energy evaluation")); + } + } else { + energy_func((void *) stage_prms, NULL, NULL, 0, 0); + } + } + json_t *final_energy = json_deep_copy(json_array_get(stage_prms->json_log, 0)); json_object_set_new(json_log_stage, "final", final_energy); json_decref(stage_prms->json_log); @@ -166,9 +232,9 @@ int main(int argc, char **argv) { energy_prms_free(&min_prms, nstages); -#ifdef OPENMP + #ifdef OPENMP } -#endif + #endif // Write minimized models if (!opts.score_only) { @@ -207,6 +273,7 @@ int main(int argc, char **argv) { // Free everything mol_atom_group_list_free(ag_list); options_free(opts); + free(FE_RETURN_LOCATIONS); INFO_MSG("Completed"); return EXIT_SUCCESS; From f3eb8a8b86803b2fd52a8599828c5cbcfc888987 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Fri, 24 Jul 2020 14:09:39 -0400 Subject: [PATCH 28/31] SIGFPE will be thrown only in serial version --- src/minimize.c | 27 ++++++++++----------------- 1 file changed, 10 insertions(+), 17 deletions(-) diff --git a/src/minimize.c b/src/minimize.c index 51a8f2e..03c694d 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -21,7 +21,7 @@ #define __TOL__ 5E-4 -jmp_buf* FE_RETURN_LOCATIONS; +jmp_buf FE_RETURN_LOCATION; /** * Handler for SIGFPE (floating point exception) @@ -31,21 +31,20 @@ void overflow_handler(__attribute__((unused)) int signal_number) { WRN_MSG("Couldn't clear exceptions"); } - int thread_id = 0; - - #ifdef OPENMP - thread_id = omp_get_thread_num(); - #endif - - longjmp(FE_RETURN_LOCATIONS[thread_id], 1); + longjmp(FE_RETURN_LOCATION, 1); } int main(int argc, char **argv) { VERBOSITY = DEBUG; + #ifndef OPENMP + // For serial version, SIGFPE will be caught and "exception" field will be added + // to the corresponding model entry in output json file. In OMP version SIGFPE + // will be switched off mol_enable_floating_point_exceptions(); signal(SIGFPE, overflow_handler); + #endif bool opts_error; struct options opts = options_populate_from_argv(argc, argv, &opts_error); @@ -79,7 +78,7 @@ int main(int argc, char **argv) { omp_set_num_threads(opts.num_threads); } - #pragma omp parallel shared(ag_list, json_log_total, opts, FE_RETURN_LOCATIONS) + #pragma omp parallel shared(ag_list, json_log_total, opts) { int num_threads = omp_get_num_threads(); int thread_id = omp_get_thread_num(); @@ -88,14 +87,9 @@ int main(int argc, char **argv) { DEBUG_MSG("Using %i threads", num_threads); } #else - int num_threads = 1; int thread_id = 0; #endif - if (thread_id == 0) { - FE_RETURN_LOCATIONS = calloc(num_threads, sizeof(jmp_buf)); - } - // Create local copy of energy prms for each thread struct energy_prms* min_prms; size_t nstages; @@ -161,7 +155,7 @@ int main(int argc, char **argv) { if (!stage_prms->score_only) { stage_prms->json_log = json_array(); - if (setjmp(FE_RETURN_LOCATIONS[thread_id]) == 1) { + if (setjmp(FE_RETURN_LOCATION) == 1) { // If minimization failed with SIGFPE the execution jumps to this location WRN_MSG("Floating point exception detected for model %zu during minimization", modeli); sigfpe_caught = true; @@ -195,7 +189,7 @@ int main(int argc, char **argv) { json_string("Floating point exception during minimization")); json_array_append_new(stage_prms->json_log, energy_dict); } else { - if (setjmp(FE_RETURN_LOCATIONS[thread_id]) == 1) { + if (setjmp(FE_RETURN_LOCATION) == 1) { // If energy evalution failed with SIGFPE, the execution jumps to this location WRN_MSG("Floating point exception detected for model %zu during final energy evaluation", modeli); sigfpe_caught = true; @@ -273,7 +267,6 @@ int main(int argc, char **argv) { // Free everything mol_atom_group_list_free(ag_list); options_free(opts); - free(FE_RETURN_LOCATIONS); INFO_MSG("Completed"); return EXIT_SUCCESS; From 76db60ca5ac4c5d9fd4106728fe44ffa900f1263 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Thu, 6 Aug 2020 00:02:44 -0400 Subject: [PATCH 29/31] Fixed missing msg variable in tests --- test/test_all.c | 2 ++ 1 file changed, 2 insertions(+) diff --git a/test/test_all.c b/test/test_all.c index 90233d1..ba13372 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -5,6 +5,8 @@ #include "setup.h" +char msg[512]; + // These functions are defined only in newer versions of check #ifndef ck_assert_double_eq_tol #define ck_assert_double_eq_tol(x, y, tol) do { \ From 52c1880260132ebba864e5e4333804930fc7c568 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Thu, 6 Aug 2020 12:17:15 -0400 Subject: [PATCH 30/31] Added NOE flag to cmake --- CMakeLists.txt | 7 +++- src/energy.c | 7 ++++ src/parse_options.c | 9 +++++ src/setup.c | 30 ++++++++++++++++- src/setup.h | 9 ++++- test/data/setup_all_no_noe.json | 59 +++++++++++++++++++++++++++++++++ test/test_all.c | 19 ++++++++++- 7 files changed, 136 insertions(+), 4 deletions(-) create mode 100644 test/data/setup_all_no_noe.json diff --git a/CMakeLists.txt b/CMakeLists.txt index 19ed2a3..75cb59c 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -20,6 +20,7 @@ option(BUILD_TESTS "Build tests" ON) option(USE_LTO "Link Time Optimization" ON) option(USE_SANITIZER "Build with address sanitizer" OFF) option(OPENMP "Add OPENMP executable" OFF) +option(NOE "Build with NOE feature" ON) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") @@ -30,12 +31,16 @@ if (UNIX) endif() endif() -if(USE_SANITIZER) +if (USE_SANITIZER) set(SANITIZER_FLAGS "-fno-omit-frame-pointer -fsanitize=address,undefined") set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${SANITIZER_FLAGS}") set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${SANITIZER_FLAGS}") endif() +if (NOE) + add_definitions(-D NOE) +endif() + find_package(Jansson REQUIRED) find_package(mol2 REQUIRED) diff --git a/src/energy.c b/src/energy.c index 9cbda13..61d4e44 100644 --- a/src/energy.c +++ b/src/energy.c @@ -1,10 +1,15 @@ +#include + #include "energy.h" #include "mol2/benergy.h" #include "mol2/gbsa.h" #include "mol2/nbenergy.h" #include "mol2/fitting.h" + +#ifdef NOE #include "mol2/noe.h" +#endif lbfgsfloatval_t energy_func( @@ -126,6 +131,7 @@ lbfgsfloatval_t energy_func( total_energy += term_energy; } +#ifdef NOE if (energy_prm->nmr != NULL) { mol_noe_calc_peaks(energy_prm->nmr->spec, energy_prm->ag, true); mol_noe_calc_energy( @@ -143,6 +149,7 @@ lbfgsfloatval_t energy_func( json_object_set_new(energy_dict, "noe_details", mol_noe_to_json_object(energy_prm->nmr->spec)); } } +#endif if (energy_prm->density != NULL) { term_energy = mol_fitting_score(energy_prm->ag, diff --git a/src/parse_options.c b/src/parse_options.c index 9b105ea..1d99a26 100644 --- a/src/parse_options.c +++ b/src/parse_options.c @@ -268,6 +268,13 @@ static int _check_prms(struct options *opts) return 1; } +#ifndef NOE + if (opts->noe_txt || opts->noe_json) { + ERR_MSG("Rebuild NRGmin with -DNOE=ON to use NOE spectrum fitting"); + return 1; + } +#endif + return 0; } @@ -498,11 +505,13 @@ void usage_message(char *const *argv) { " --pair-springs-txt Text file setup for pairwise restraints\n" " --point-springs-txt Text file setup for pointwise restraints\n" "\n" +#ifdef NOE " NOE setup\n" "\n" " --noe-txt Text file setup for NOE\n" " --noe-json Json file setup for NOE\n" "\n" +#endif " Density setup\n" "\n" " --density-json Json file setup for density fitting\n" diff --git a/src/setup.c b/src/setup.c index f6460d6..e312286 100644 --- a/src/setup.c +++ b/src/setup.c @@ -659,6 +659,8 @@ _POTENTIAL_SETUP_READ_JSON_FILE(density) ****************************************/ +#ifdef NOE + static void _noe_setup_free(struct noe_setup **noe) { if (*noe != NULL) { mol_noe_free((*noe)->spec); @@ -765,6 +767,8 @@ static struct noe_setup *_noe_setup_read_json(json_t *root) { _POTENTIAL_SETUP_READ_JSON_FILE(noe) +#endif + /* ************************************** * Populate energy parameters * @@ -778,7 +782,9 @@ void energy_prms_free(struct energy_prms **prms, size_t nstages) _pairsprings_setup_free(&((*prms + i)->sprst_pairs)); _pointsprings_setup_free(&((*prms + i)->sprst_points)); _density_setup_free(&((*prms + i)->density)); +#ifdef NOE _noe_setup_free(&((*prms + i)->nmr)); +#endif _fixed_setup_free(&((*prms + i)->fixed)); } free(*prms); @@ -805,9 +811,11 @@ bool energy_prms_populate_from_options( all_stage_prms->sprst_pairs = NULL; all_stage_prms->sprst_points = NULL; - all_stage_prms->nmr = NULL; all_stage_prms->density = NULL; all_stage_prms->fixed = NULL; +#ifdef NOE + all_stage_prms->nmr = NULL; +#endif all_stage_prms->nsteps = opts.nsteps; @@ -890,6 +898,7 @@ bool energy_prms_populate_from_options( if (opts.noe_json) { DEBUG_MSG("Parsing %s", opts.noe_json); +#ifdef NOE all_stage_prms->nmr = _noe_setup_read_json_file(opts.noe_json); if (!all_stage_prms->nmr) { @@ -897,9 +906,16 @@ bool energy_prms_populate_from_options( energy_prms_free(&all_stage_prms, nstages); return false; } +#else + ERR_MSG("Rebuild NRGmin with -DNOE=ON to use NOE spectrum fitting"); + energy_prms_free(&all_stage_prms, nstages); + return false; +#endif } if (opts.noe_txt) { + DEBUG_MSG("Parsing %s", opts.noe_txt); +#ifdef NOE if (all_stage_prms->nmr) { ERR_MSG("Cannot use NOE txt and json formats at the same time"); energy_prms_free(&all_stage_prms, nstages); @@ -913,6 +929,11 @@ bool energy_prms_populate_from_options( energy_prms_free(&all_stage_prms, nstages); return false; } +#else + ERR_MSG("Rebuild NRGmin with -DNOE=ON to use NOE spectrum fitting"); + energy_prms_free(&all_stage_prms, nstages); + return false; +#endif } if (opts.density_json) { @@ -1067,6 +1088,12 @@ bool energy_prms_populate_from_options( // NOE json_t* stage_noe = json_object_get(stage_desc, "noe"); if (stage_noe) { +#ifndef NOE + ERR_MSG("Rebuild NRGmin with -DNOE=ON to use NOE spectrum fitting"); + error = true; + break; +#else + DEBUG_MSG("Creating NOE for stage"); stage_prms->nmr = _noe_setup_read_json(stage_noe); if (!stage_prms->nmr) { @@ -1074,6 +1101,7 @@ bool energy_prms_populate_from_options( error = true; break; } +#endif } } diff --git a/src/setup.h b/src/setup.h index 7247c82..c5e7869 100644 --- a/src/setup.h +++ b/src/setup.h @@ -13,7 +13,10 @@ #include "mol2/icharmm.h" #include "mol2/pdb.h" #include "mol2/fitting.h" + +#ifdef NOE #include "mol2/noe.h" +#endif #include "parse_options.h" @@ -41,9 +44,11 @@ struct energy_prms { struct pairsprings_setup *sprst_pairs; ///< Pairwise distance restraints struct pointsprings_setup *sprst_points; ///< Pointwise distance restraints - struct noe_setup *nmr; ///< NOE matrix restraints struct density_setup *density; ///< Density fitting struct fixed_setup *fixed; ///< Fixed atoms +#ifdef NOE + struct noe_setup *nmr; ///< NOE matrix restraints +#endif int nsteps; ///< Max number of steps during minimization bool bonds; ///< Flags @@ -59,11 +64,13 @@ struct energy_prms { bool score_only; ///< Don't perform minimizition and only output energy terms }; +#ifdef NOE struct noe_setup { double weight; double power; struct mol_noe *spec; }; +#endif struct density_setup { double weight; diff --git a/test/data/setup_all_no_noe.json b/test/data/setup_all_no_noe.json new file mode 100644 index 0000000..d9cf254 --- /dev/null +++ b/test/data/setup_all_no_noe.json @@ -0,0 +1,59 @@ +{ + "stages": [ + { + "nsteps": 1000, + "fix_receptor": true, + "vdw": false + }, + { + "nsteps": 500, + "fixed": [ + 0, + 1, + 2, + 3, + 4, + 8, + 2000 + ], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + }, + { + "nsteps": 500, + "pointsprings": [ + { + "weight": 10, + "coords": [ + 1, + 1, + 1 + ], + "atoms": [ + 1, + 2, + 3, + 4, + 5 + ] + } + ], + "pairsprings": [ + { + "weight": 10, + "error": 0.1, + "length": 10, + "atom1": 2, + "atom2": 5 + } + ] + } + ] +} \ No newline at end of file diff --git a/test/test_all.c b/test/test_all.c index ba13372..0284c1d 100644 --- a/test/test_all.c +++ b/test/test_all.c @@ -448,6 +448,7 @@ START_TEST(test_energy_prm_from_flags) opts = options_get_default(); opts.noe_json = "noe.json"; +#ifdef NOE ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_double_eq_tol(prms->nmr->weight, 1000, 10e-3); @@ -455,6 +456,10 @@ START_TEST(test_energy_prm_from_flags) ck_assert_int_eq(prms->nmr->spec->size, 2); ck_assert_double_eq_tol(prms->nmr->spec->exp[1], -0.074589, 10e-3); energy_prms_free(&prms, nstages); +#else + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); +#endif break; case 9: @@ -573,10 +578,15 @@ START_TEST(test_energy_prm_from_json) opts = options_get_default(); opts.setup_json = "setup_noe.json"; +#ifdef NOE ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(prms[0].nmr->spec->size, 2); energy_prms_free(&prms, nstages); +#else + ck_assert(!energy_prms_populate_from_options(&prms, &nstages, opts)); + ck_assert_ptr_null(prms); +#endif break; case 8: @@ -618,8 +628,11 @@ START_TEST(test_energy_prm_from_json) opts.separate = true; opts.rec_natoms = 1000; opts.lig_natoms = 100; +#ifdef NOE opts.setup_json = "setup_all.json"; - +#else + opts.setup_json = "setup_all_no_noe.json"; +#endif ck_assert(energy_prms_populate_from_options(&prms, &nstages, opts)); ck_assert_ptr_nonnull(prms); ck_assert_int_eq(nstages, 3); @@ -633,19 +646,23 @@ START_TEST(test_energy_prm_from_json) ck_assert_ptr_nonnull(prms[1].fixed); ck_assert_ptr_null(prms[2].fixed); +#ifdef NOE ck_assert_ptr_null(prms[0].nmr); ck_assert_ptr_nonnull(prms[1].nmr); ck_assert_ptr_null(prms[2].nmr); +#endif ck_assert_ptr_null(prms[0].sprst_pairs); ck_assert_ptr_nonnull(prms[1].sprst_pairs); ck_assert_ptr_nonnull(prms[2].sprst_pairs); // Check some random values from the setup to make sure it was parsed properly +#ifdef NOE ck_assert_double_eq_tol(prms[1].nmr->power, 1./3., 10e-3); ck_assert_double_eq_tol(prms[1].nmr->weight, 1000, 10e-3); ck_assert_ptr_nonnull(prms[1].nmr->spec); ck_assert_int_eq(prms[1].nmr->spec->size, 2); +#endif ck_assert_int_eq(prms[2].sprst_points->springs[0].atoms[3], 4); ck_assert_int_eq(prms[1].sprst_pairs->springs[0].atoms[1], 5); From c9809bd9038a9dd27f5502ff0af4b8dc7b12d083 Mon Sep 17 00:00:00 2001 From: ignatovmg Date: Wed, 12 Aug 2020 17:05:18 -0400 Subject: [PATCH 31/31] Included Anrey's suggestions. Updated help --- .gitignore | 40 +---- CMakeLists.txt | 41 ++++-- README.md | 20 ++- src/energy.c | 98 +++++-------- src/minimize.c | 1 - src/{parse_options.c => parse_options.c.in} | 155 +++++--------------- src/setup.c | 25 +++- src/usage.txt | 23 +-- 8 files changed, 152 insertions(+), 251 deletions(-) rename src/{parse_options.c => parse_options.c.in} (71%) diff --git a/.gitignore b/.gitignore index 609f1e8..1046758 100644 --- a/.gitignore +++ b/.gitignore @@ -5,45 +5,16 @@ sandbox/ # Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio and WebStorm # Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839 -# User-specific stuff -.idea/**/workspace.xml -.idea/**/tasks.xml -.idea/**/usage.statistics.xml -.idea/**/dictionaries -.idea/**/shelf - -# Generated files -.idea/**/contentModel.xml - -# Sensitive or high-churn files -.idea/**/dataSources/ -.idea/**/dataSources.ids -.idea/**/dataSources.local.xml -.idea/**/sqlDataSources.xml -.idea/**/dynamic.xml -.idea/**/uiDesigner.xml -.idea/**/dbnavigator.xml - -# Gradle -.idea/**/gradle.xml -.idea/**/libraries - # Gradle and Maven with auto-import # When using Gradle or Maven with auto-import, you should exclude module files, # since they will be recreated, and may cause churn. Uncomment if using # auto-import. -# .idea/modules.xml -# .idea/*.iml -# .idea/modules # *.iml # *.ipr # CMake cmake-build-*/ -# Mongo Explorer plugin -.idea/**/mongoSettings.xml - # File-based project format *.iws @@ -56,17 +27,8 @@ out/ # JIRA plugin atlassian-ide-plugin.xml -# Cursive Clojure plugin -.idea/replstate.xml - # Crashlytics plugin (for Android Studio and IntelliJ) com_crashlytics_export_strings.xml crashlytics.properties crashlytics-build.properties -fabric.properties - -# Editor-based Rest Client -.idea/httpRequests - -# Android studio 3.1+ serialized cache file -.idea/caches/build_file_checksums.ser +fabric.properties \ No newline at end of file diff --git a/CMakeLists.txt b/CMakeLists.txt index 75cb59c..592e098 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -4,17 +4,15 @@ if(${CMAKE_VERSION} VERSION_LESS 3.12) cmake_policy(VERSION ${CMAKE_MAJOR_VERSION}.${CMAKE_MINOR_VERSION}) endif() -if(CMAKE_VERSION VERSION_GREATER 3.9) - cmake_policy(SET CMP0069 NEW) -endif() +cmake_policy(SET CMP0069 NEW) project(NRGmin VERSION 1.0 DESCRIPTION "Energy minimization utility" LANGUAGES C) -set(CMAKE_CXX_STANDARD 11) -set(CMAKE_CXX_STANDARD_REQUIRED ON) -set(CMAKE_CXX_EXTENSIONS OFF) +set(CMAKE_C_STANDARD 11) +set(CMAKE_C_STANDARD_REQUIRED ON) +set(CMAKE_C_EXTENSIONS OFF) option(BUILD_TESTS "Build tests" ON) option(USE_LTO "Link Time Optimization" ON) @@ -24,17 +22,14 @@ option(NOE "Build with NOE feature" ON) set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/") -if (UNIX) - add_compile_options(-std=c11) - if(CMAKE_BUILD_TYPE STREQUAL "Debug") - add_compile_options(-pg -Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) - endif() +if (UNIX AND CMAKE_BUILD_TYPE STREQUAL "Debug") + add_compile_options(-pg -Wall -Wshadow -Wpointer-arith -Wcast-qual -Winline -Werror -Wextra -Wfatal-errors -Wstrict-prototypes) endif() if (USE_SANITIZER) set(SANITIZER_FLAGS "-fno-omit-frame-pointer -fsanitize=address,undefined") - set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${SANITIZER_FLAGS}") - set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} ${SANITIZER_FLAGS}") + add_compile_options(${SANITIZER_FLAGS}) + add_link_options(${SANITIZER_FLAGS}) endif() if (NOE) @@ -54,11 +49,27 @@ set(INCLUDE_LIST "${MOL2_INCLUDE_DIRS}" "${JANSSON_INCLUDE_DIRS}") +# Read help text from the file and plug it in parse_options.c.in +file(STRINGS ${PROJECT_SOURCE_DIR}/src/usage.txt USAGE_LINES) +# Join lines using "\" character. Can't use string(JOIN ..) here, +# because it exists only in the newer versions of cmake +set(USAGE_TEXT "") +list(LENGTH USAGE_LINES USAGE_N_LINES) +math(EXPR USAGE_LAST_LINE "${USAGE_N_LINES} - 1") +foreach(LINE_ID RANGE ${USAGE_LAST_LINE}) + list(GET USAGE_LINES ${LINE_ID} LINE) + set(USAGE_TEXT "${USAGE_TEXT}\\n${LINE}") +endforeach() +configure_file ( + "${PROJECT_SOURCE_DIR}/src/parse_options.c.in" + "${PROJECT_BINARY_DIR}/parse_options.c" +) + set(SRC_LIST ${PROJECT_SOURCE_DIR}/src/setup.c - ${PROJECT_SOURCE_DIR}/src/parse_options.c ${PROJECT_SOURCE_DIR}/src/utils.c - ${PROJECT_SOURCE_DIR}/src/energy.c) + ${PROJECT_SOURCE_DIR}/src/energy.c + ${PROJECT_BINARY_DIR}/parse_options.c) add_executable(nrgmin ${PROJECT_SOURCE_DIR}/src/minimize.c ${SRC_LIST}) diff --git a/README.md b/README.md index 13c88b6..8eeec47 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,9 @@ Utility for molecular mechanics energy minimization ## Installation ### -1. Install [libmol2](https://bitbucket.org/bu-structure/libmol2/src/master) +1. Install [libmol2](https://bitbucket.org/bu-structure/libmol2/src/master) +(verified to work with commit +[918978d](https://bitbucket.org/bu-structure/libmol2/src/918978da2c8b3929702df9f7738b1eec60190056/)) 2. Build minimization executable @@ -13,8 +15,20 @@ Utility for molecular mechanics energy minimization 3. The binary is in `build/nrgmin` -4. If you want to build with OpenMP, add `-DOPENMP=ON` to `cmake` command, it will create additional executable +4. To build OpenMP enabled binary, add `-DOPENMP=YES` to `cmake` command, it will create additional executable `build/nrgmin.omp`. `--num-threads` controls the number of OpenMP threads. + +CMake flags: + + * `BUILD_TESTS` — set to `YES` to enable tests, and to `NO` if you don't need them. + + * `USE_LTO` – set to `YES` for Link Time Optimization. + + * `USE_SANITIZER` — enable AddressSanitizer. Not recommended for release builds, since it complicates linking to other projects. + + * `OPENMP` — set to `YES` to create a multithreaded binary `nrgmin.omp` in addition to a serial one. + + * `NOE` — set to `NO` if you want to drop NOE (NMR) calculation capability (e.g. if libmol2 was build without NOE). ## How to run @@ -198,6 +212,8 @@ Energy terms switches. Everything is on by default except for GBSA --impropers-on/--impropers-on Impropers --vdw-on/--vdw-off VDW --vdw03-on/--vdw03-off 1-4 VDW + --eleng-on/--eleng-off Coulomb electrostatics + --elengs03-on/--elengs03-off 1-4 Coulomb electrostatics --gbsa-on/gbsa-off GBSA Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms) diff --git a/src/energy.c b/src/energy.c index 61d4e44..dd95bf9 100644 --- a/src/energy.c +++ b/src/energy.c @@ -180,39 +180,31 @@ lbfgsfloatval_t energy_func( void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_group *ag, double *een) { - size_t i, i1, i2, nat; - double xtot, ytot, ztot, fk; - struct mol_vector3 g; - - for (i = 0; i < sprst->nsprings; i++) { - nat = sprst->springs[i].natoms; + for (size_t i = 0; i < sprst->nsprings; i++) { + size_t nat = sprst->springs[i].natoms; if (nat > 0) { - xtot = 0.0; - ytot = 0.0; - ztot = 0.0; - - for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].atoms[i1]; - xtot += ag->coords[i2].X; - ytot += ag->coords[i2].Y; - ztot += ag->coords[i2].Z; + struct mol_vector3 tot_vec = {0, 0, 0}; + struct mol_vector3 g; + + for (size_t i1 = 0; i1 < nat; i1++) { + size_t i2 = sprst->springs[i].atoms[i1]; + MOL_VEC_ADD(tot_vec, tot_vec, ag->coords[i2]); } - xtot = xtot / nat - sprst->springs[i].X0; - ytot = ytot / nat - sprst->springs[i].Y0; - ztot = ztot / nat - sprst->springs[i].Z0; + MOL_VEC_DIV_SCALAR(tot_vec, tot_vec, nat); + tot_vec.X -= sprst->springs[i].X0; + tot_vec.Y -= sprst->springs[i].Y0; + tot_vec.Z -= sprst->springs[i].Z0; - fk = sprst->springs[i].weight; - (*een) += fk * (xtot * xtot + ytot * ytot + ztot * ztot); + double fk = sprst->springs[i].weight; + (*een) += fk * MOL_VEC_SQ_NORM(tot_vec); fk = 2 * fk / nat; - g.X = xtot * fk; - g.Y = ytot * fk; - g.Z = ztot * fk; + MOL_VEC_MULT_SCALAR(g, tot_vec, fk); - for (i1 = 0; i1 < nat; i1++) { - i2 = sprst->springs[i].atoms[i1]; + for (size_t i1 = 0; i1 < nat; i1++) { + size_t i2 = sprst->springs[i].atoms[i1]; MOL_VEC_SUB(ag->gradients[i2], ag->gradients[i2], g); } } @@ -221,38 +213,28 @@ void pointspring_energy(const struct pointsprings_setup *sprst, struct mol_atom_ void pairspring_energy(const struct pairsprings_setup *sprst, struct mol_atom_group *ag, double *een) { - size_t i, i1, i2; - double xtot, ytot, ztot, fk, d, d2, ln, er, coef, delta; - struct mol_vector3 g; - - for (i = 0; i < sprst->nsprings; i++) { - ln = sprst->springs[i].length; - er = sprst->springs[i].error; - fk = sprst->springs[i].weight / 2.0; - - i1 = sprst->springs[i].atoms[0]; - i2 = sprst->springs[i].atoms[1]; - - xtot = ag->coords[i2].X - ag->coords[i1].X; - ytot = ag->coords[i2].Y - ag->coords[i1].Y; - ztot = ag->coords[i2].Z - ag->coords[i1].Z; - - d2 = xtot * xtot + ytot * ytot + ztot * ztot; - d = sqrt(d2); - - delta = fabs(d - ln); - delta = (delta > er) ? ((delta - er) * delta / (d - ln)) : 0.0; - - //(*een) += fk * (d - ln) * (d - ln); - (*een) += fk * delta * delta; - //coef = fk * 2 * (1.0 - ln / d); - coef = fk * 2.0 * delta / d; - - g.X = -coef * xtot; - g.Y = -coef * ytot; - g.Z = -coef * ztot; - - MOL_VEC_SUB(ag->gradients[i1], ag->gradients[i1], g); - MOL_VEC_ADD(ag->gradients[i2], ag->gradients[i2], g); + for (size_t i = 0; i < sprst->nsprings; i++) { + struct mol_vector3 g; + double ln = sprst->springs[i].length; + double er = sprst->springs[i].error; + double fk = sprst->springs[i].weight / 2.0; //TODO: remove the two here after we are done with NOE testing + + size_t i1 = sprst->springs[i].atoms[0]; + size_t i2 = sprst->springs[i].atoms[1]; + + struct mol_vector3 tot_vec; + MOL_VEC_SUB(tot_vec, ag->coords[i2], ag->coords[i1]); + double d = sqrt(MOL_VEC_SQ_NORM(tot_vec)); + + double delta = fabs(d - ln); + if (delta > er) { + delta = (delta - er) * delta / (d - ln); + (*een) += fk * delta * delta; + double coef = fk * 2.0 * delta / d; + MOL_VEC_MULT_SCALAR(g, tot_vec, -coef); + + MOL_VEC_SUB(ag->gradients[i1], ag->gradients[i1], g); + MOL_VEC_ADD(ag->gradients[i2], ag->gradients[i2], g); + } } } \ No newline at end of file diff --git a/src/minimize.c b/src/minimize.c index 03c694d..14c916e 100644 --- a/src/minimize.c +++ b/src/minimize.c @@ -51,7 +51,6 @@ int main(int argc, char **argv) { if (opts_error) { ERR_MSG("Couldn't parse options"); options_free(opts); - usage_message(argv); exit(EXIT_FAILURE); } if (opts.help) { diff --git a/src/parse_options.c b/src/parse_options.c.in similarity index 71% rename from src/parse_options.c rename to src/parse_options.c.in index 1d99a26..9c15f9f 100644 --- a/src/parse_options.c +++ b/src/parse_options.c.in @@ -187,7 +187,7 @@ static bool _fill_prms_from_json(struct options* opts, const json_t* root) } -static int _check_prms(struct options *opts) +static bool _check_flags_and_fill_from_json(struct options *opts) { bool full = false; bool rec_sep = false; @@ -199,12 +199,12 @@ static int _check_prms(struct options *opts) if (opts->setup_json) { json_t* setup = read_json_file(opts->setup_json); if (!setup) { - return 1; + return false; } if (!_fill_prms_from_json(opts, setup)) { json_decref(setup); - return 1; + return false; } opts->setup_json_root = setup; @@ -213,7 +213,7 @@ static int _check_prms(struct options *opts) if (opts->num_threads < 0) { ERR_MSG("Number of threads can't be negative"); - return 1; + return false; } if (opts->json || opts->pdb || opts->psf || opts->prm || opts->rtf) { @@ -221,37 +221,37 @@ static int _check_prms(struct options *opts) opts->separate = false; if (!(opts->json || (opts->pdb && opts->psf && opts->prm && opts->rtf))) { - ERR_MSG("Json and/or pdb, psf, prm and rtf must be provided"); - return 1; + ERR_MSG("Json and/or {pdb, psf, prm and rtf} must be provided"); + return false; } if (opts->fix_receptor) { ERR_MSG("Can't fix the receptor when using single file mode"); - return 1; + return false; } if (opts->fix_ligand) { ERR_MSG("Can't fix the ligand when using single file mode"); - return 1; + return false; } } if (opts->rec_pdb || opts->rec_psf || opts->rec_prm || opts->rec_rtf || opts->rec_json) { if (full) { ERR_MSG("You can't provide options for rec/lig mode and single file mode at the same time"); - return 1; + return false; } if (!(opts->rec_json || (opts->rec_pdb && opts->rec_psf && opts->rec_prm && opts->rec_rtf))) { ERR_MSG("Json and/or pdb, psf, prm and rtf must be provided for receptor"); - return 1; + return false; } rec_sep = true; if (!(opts->lig_json || (opts->lig_pdb && opts->lig_psf && opts->lig_prm && opts->lig_rtf))) { ERR_MSG("Json and/or pdb, psf, prm and rtf must be provided for ligand"); - return 1; + return false; } lig_sep = true; @@ -260,22 +260,22 @@ static int _check_prms(struct options *opts) if (!(full || (rec_sep && lig_sep))) { ERR_MSG("The molecule wasn't provided"); - return 1; + return false; } - if (opts->nsteps < 0) { - ERR_MSG("Number of steps can't be negative"); - return 1; + if (opts->nsteps < 1) { + ERR_MSG("Number of steps must be positive"); + return false; } #ifndef NOE if (opts->noe_txt || opts->noe_json) { ERR_MSG("Rebuild NRGmin with -DNOE=ON to use NOE spectrum fitting"); - return 1; + return false; } #endif - return 0; + return true; } @@ -364,9 +364,6 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo switch (opt) { case 0: - if (long_options[option_index].flag != 0) - break; - //DEBUG_MSG("Option %s = %s", long_options[option_index].name, optarg); break; case 'h': @@ -376,6 +373,7 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo case '?': *error = true; + ERR_MSG("Unrecognized option encountered"); return prms; default: @@ -409,17 +407,29 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo _FILL_PARAM(prms.setup_json, optarg); if (strcmp("nsteps", long_options[option_index].name) == 0) { - prms.nsteps = atoi(optarg); + if (sscanf(optarg, "%i", &prms.nsteps) != 1) { + ERR_MSG("Wrong value provided for --%s", long_options[option_index].name); + *error = true; + return prms; + } } if (strcmp("verbosity", long_options[option_index].name) == 0) { - prms.verbosity = atoi(optarg); + if (sscanf(optarg, "%i", &prms.verbosity) != 1) { + ERR_MSG("Wrong value provided for --%s", long_options[option_index].name); + *error = true; + return prms; + } } if (strcmp("num-threads", long_options[option_index].name) == 0) { - prms.num_threads = atoi(optarg); + if (sscanf(optarg, "%i", &prms.num_threads) != 1) { + ERR_MSG("Wrong value provided for --%s", long_options[option_index].name); + *error = true; + return prms; + } } } - if (_check_prms(&prms) != 0) { + if (!_check_flags_and_fill_from_json(&prms)) { *error = true; return prms; } @@ -431,100 +441,5 @@ struct options options_populate_from_argv(const int argc, char *const *argv, boo void usage_message(char *const *argv) { fprintf(stderr, "\nUsage %s [ options ]\n\n", argv[0]); - fprintf(stderr, "Energy minimization using LBFGS.\n" - "\n" - "A molecule can be passed using two modes: single file mode or rec/lig mode.\n" - "Rec/lig mode is used, when structure is passed using rec-* lig-* arguments,\n" - "and single file mode is enabled for the opposite. Structure can be passed\n" - "using a set of 4 files pdb, psf, rtf, prm or as a single json file which\n" - "contains coordinates as well as force field parameters. Also and pair of\n" - "json and pdb can be passed, if one want to use geometry from json and\n" - "coordinates from pdb.\n" - "\n" - "All flags can be as well filled by passing a global setup file to --setup-json,\n" - "so this one argument is enough to run minimization.\n" - "\n" - "Examples of different minimization setups can be found in examples/energy_setup.\n" - "\n" - " Output control:\n" - "\n" - " --out-pdb Where to write the minimized molecule(s)\n" - " --out-json Log file with energy terms\n" - " --print-step Log energies for every step\n" - " --print-stage Log energies for every stage\n" - " --print-noe-matrix Log NOE matrix is NOE calculation is on\n" - " --verbosity 0 - QUIET, 1 - ERROR, 2 - WARNING, 3 - INFO, >=4 - DEBUG\n" - "\n" - "\n" - " Single file mode:\n" - "\n" - " --psf Geometry\n" - " --prm Forcefield parameters\n" - " --rtf Topology file with residues description\n" - " --pdb Atom coordinates (can contain multiple models)\n" - " --json Json file with coordinates, geometry and force field parameters\n" - "\n" - " Parameters for rec/lig mode\n" - "\n" - " --rec-psf Receptor geometry\n" - " --rec-prm Receptor forcefield parameters\n" - " --rec-rtf Receptor topology file\n" - " --rec-pdb Receptor atom coordinates (can contain multiple models)\n" - " --rec-json Receptor json file with coordinates, geometry and force field parameters\n" - " --lig-psf Ligand geometry\n" - " --lig-prm Ligand forcefield parameters\n" - " --lig-rtf Ligand topology file with residues description\n" - " --lig-pdb Ligand atom coordinates (can contain multiple models)\n" - " --lig-json Ligand json file with coordinates, geometry and force field parameters\n" - "\n" - "\n" - " Minimization setup\n" - "\n" - " --nsteps Number of minimization steps\n" - "\n" - " Energy terms switches. Everything is on by default except for GBSA\n" - "\n" - " --bonds-on/--bonds-off Bonds energy term\n" - " --angles-on/--angles-off Angles\n" - " --dihedrals-on/--dihedrals-off Dihedrals\n" - " --impropers-on/--impropers-on Impropers\n" - " --vdw-on/--vdw-off VDW\n" - " --vdw03-on/--vdw03-off 1-4 VDW\n" - " --eleng-on/--eleng-off Coulomb electrostatics\n" - " --elengs03-on/--elengs03-off 1-4 Coulomb electrostatics\n" - " --gbsa-on/gbsa-off GBSA\n" - "\n" - " Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms)\n" - "\n" - " --fixed-pdb PDB file with fixed atoms. Only atom ID is read (lines starting with ATOM)\n" - " --fix-receptor Fix receptor atoms (works only in rec/lig mode)\n" - " --fix-ligand Fix ligand atoms (works only in rec/lig mode)\n" - "\n" - " Distance restraints\n" - "\n" - " --pair-springs-txt Text file setup for pairwise restraints\n" - " --point-springs-txt Text file setup for pointwise restraints\n" - "\n" -#ifdef NOE - " NOE setup\n" - "\n" - " --noe-txt Text file setup for NOE\n" - " --noe-json Json file setup for NOE\n" - "\n" -#endif - " Density setup\n" - "\n" - " --density-json Json file setup for density fitting\n" - "\n" - " Global setup in json format\n" - "\n" - " --setup-json This file duplicates all the other options. It also allows for\n" - " multistage minimization protocol, where each stage can have\n" - " different minimization terms\n" - "\n" - " Miscellaneous\n" - "\n" - " --num-threads Number of OpenMP threads to use. 0 (default) means using maximum number of threads\n" - " --score-only Score only without doing minimization\n" - " --help Show this message and exit\n\n"); + fprintf(stderr, "@USAGE_TEXT@"); } diff --git a/src/setup.c b/src/setup.c index e312286..54a2e38 100644 --- a/src/setup.c +++ b/src/setup.c @@ -155,8 +155,6 @@ static struct mol_atom_group_list *_read_ag_list( } else if (ag_json != NULL) { DEBUG_MSG("Using geometry and coordinates from %s", json); ag_list = mol_atom_group_list_create(1); - //free(ag_json->gradients); - //ag_json->gradients = NULL; ag_list->members[0] = *ag_json; free(ag_json); @@ -182,8 +180,6 @@ static struct mol_atom_group_list* _merge_ag_lists( for (size_t i = 0; i < ag_list->size; i++) { struct mol_atom_group* _join = mol_atom_group_join(&ag1->members[i], &ag2->members[i]); - //free(_join->gradients); - //_join->gradients = NULL; ag_list->members[i] = *_join; free(_join); } @@ -362,6 +358,9 @@ static void _pairsprings_setup_free(struct pairsprings_setup **sprst) { static struct pairsprings_setup *_pairsprings_setup_read_txt(const char *path) { + WRN_MSG("You are reading pairsprings in txt format. This is a legacy " + "format and will be removed in the future versions."); + FILE *fp; FOPEN_ELSE(fp, path, "r") { return NULL; @@ -482,6 +481,9 @@ static void _pointsprings_setup_free(struct pointsprings_setup **sprst) { static struct pointsprings_setup *_pointsprings_setup_read_txt(const char *path) { + WRN_MSG("You are reading pointsprings in txt format. This is a legacy " + "format and will be removed in the future versions."); + FILE *fp; FOPEN_ELSE(fp, path, "r") { return NULL; @@ -567,7 +569,7 @@ static struct pointsprings_setup *_pointsprings_setup_read_json(const json_t *ro } json_t* atoms = json_object_get(spring, "atoms"); - if (!atoms || !json_is_array(atoms)) { + if (!json_is_array(atoms)) { ERR_MSG("Can't read pointspring atoms from json"); free(sprs); return NULL; @@ -685,6 +687,9 @@ static void _noe_setup_free(struct noe_setup **noe) { static struct noe_setup *_noe_setup_read_txt(const char *path) { + WRN_MSG("You are reading NOE in txt format. This is a legacy " + "format and will be removed in the future versions."); + char line[512]; FILE *f; FOPEN_ELSE(f, path, "r") { @@ -715,7 +720,7 @@ static struct noe_setup *_noe_setup_read_txt(const char *path) { READ_WORD(f, word, line); bool mask_on = false; - if (strcmp(word, "on\0") == 0) { + if (strcmp(word, "on") == 0) { mask_on = true; } else if (strcmp(word, "off\0") != 0) { ERR_MSG("Wrong value (on/off)"); @@ -960,7 +965,7 @@ bool energy_prms_populate_from_options( } setup = json_object_get(setup_root, "stages"); - if (setup && !json_is_array(setup)) { + if (!json_is_array(setup)) { ERR_MSG("Key 'stages' must point to a dictionary"); json_decref(setup_root); energy_prms_free(&all_stage_prms, nstages); @@ -1018,6 +1023,12 @@ bool energy_prms_populate_from_options( break; } + if (stage_prms->nsteps < 1) { + ERR_MSG("Field nsteps must be positive (%i <= 0)", stage_prms->nsteps); + error = true; + break; + } + if ((stage_fix_rec || stage_fix_lig) && !opts.separate) { ERR_MSG("You can't provide fix-* flags in a single file mode"); error = true; diff --git a/src/usage.txt b/src/usage.txt index f0ee286..44188fc 100644 --- a/src/usage.txt +++ b/src/usage.txt @@ -5,8 +5,8 @@ Rec/lig mode is used, when structure is passed using rec-* lig-* arguments, and single file mode is enabled for the opposite. Structure can be passed using a set of 4 files pdb, psf, rtf, prm or as a single json file which contains coordinates as well as force field parameters. Also and pair of -json and pdb can be passed, if one want to use geometry from json and -coordinates from pdb. +json and pdb can be passed, if one want to use topology and forcefield parameters +from json and coordinates from pdb. All flags can be as well filled by passing a global setup file to --setup-json, so this one argument is enough to run minimization. @@ -25,7 +25,7 @@ Examples of different minimization setups can be found in examples/energy_setup. Single file mode: - --psf Geometry + --psf Geometry in CHARMM (old) format --prm Forcefield parameters --rtf Topology file with residues description --pdb Atom coordinates (can contain multiple models) @@ -33,12 +33,12 @@ Examples of different minimization setups can be found in examples/energy_setup. Parameters for rec/lig mode - --rec-psf Receptor geometry + --rec-psf Receptor geometry in CHARMM (old) format --rec-prm Receptor forcefield parameters --rec-rtf Receptor topology file --rec-pdb Receptor atom coordinates (can contain multiple models) --rec-json Receptor json file with coordinates, geometry and force field parameters - --lig-psf Ligand geometry + --lig-psf Ligand geometry in CHARMM (old) format --lig-prm Ligand forcefield parameters --lig-rtf Ligand topology file with residues description --lig-pdb Ligand atom coordinates (can contain multiple models) @@ -57,9 +57,13 @@ Examples of different minimization setups can be found in examples/energy_setup. --impropers-on/--impropers-on Impropers --vdw-on/--vdw-off VDW --vdw03-on/--vdw03-off 1-4 VDW - --gbsa-on/gbsa-off GBSA + --eleng-on/--eleng-off Coulomb electrostatics + --elengs03-on/--elengs03-off 1-4 Coulomb electrostatics + --gbsa-on/--gbsa-off GBSA - Fixed atoms (in rec/lig mode ligand atom IDs must be increased by the number of receptor atoms) + Fixed atoms (in rec/lig mode atom groups are concatenated, + which increases ligand atom IDs by the number + of receptor atoms) --fixed-pdb PDB file with fixed atoms. Only atom ID is read (lines starting with ATOM) --fix-receptor Fix receptor atoms (works only in rec/lig mode) @@ -70,7 +74,7 @@ Examples of different minimization setups can be found in examples/energy_setup. --pair-springs-txt Text file setup for pairwise restraints --point-springs-txt Text file setup for pointwise restraints - NOE setup + NOE setup (available with -DNOE=ON during build) --noe-txt Text file setup for NOE --noe-json Json file setup for NOE @@ -88,5 +92,6 @@ Examples of different minimization setups can be found in examples/energy_setup. Miscellaneous --num-threads Number of OpenMP threads to use. 0 (default) means using maximum number of threads - --score-only Score only without doing minimization + --score-only Score without doing minimization --help Show this message and exit +